Reaction Routes of
H3CNO2
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/6-31G*
© 2009 Koichi OHNO
Explored: EQ157 TS1021
C1 ENERGY= 0.0 kJ/mol ( -245.1312914 Hartree)
Energy+ZPE= 0.0 kJ/mol ZPE= 0.0514870
CONNECTIONS:
o TS0 ( 0.3) o EQ0
o TS1 ( 62.1) o EQ0
o TS2 ( 64.5) o EQ0
o TS3 (141.9) o EQ0
o TS4 ( 46.3) o EQ1
o TS5 (225.5) o EQ3
o TS6 (564.1) o EQ10
o TS7 (567.6) o EQ24
o TS8 (567.4) o EQ28
o TS9 (561.0) o EQ29
o TS10 (577.6) o EQ32
o TS11 (580.6) o EQ50
o TS12 (241.6) o DDC0
o UDC0 o
C1 ENERGY= 32.1 kJ/mol ( -245.1190501 Hartree)
Energy+ZPE= 31.6 kJ/mol ZPE= 0.0513039
CONNECTIONS:
o TS4 ( 46.3) o EQ0
o TS13 ( 35.8) o EQ1
o TS14 ( 63.1) o EQ1
o TS15 ( 93.7) o EQ1
o TS16 (242.6) o EQ4
o TS17 (564.8) o EQ28
o TS18 (548.1) o EQ49
o TS19 (578.7) o EQ51
o TS20 (753.8) o EQ64
o TS21 (542.3) o EQ69
o TS22 (177.7) o DDC1
o TS23 (514.5) o DDC2
o TS24 (524.6) o DDC3
o UDC1 o
o UDC2 o
o UDC3 o
C1 ENERGY= 79.8 kJ/mol ( -245.1008916 Hartree)
Energy+ZPE= 64.9 kJ/mol ZPE= 0.0458154
CONNECTIONS:
o TS25 (257.6) o EQ2
o TS26 (639.5) o DDC4
o UDC4 o
Cs ENERGY= 89.8 kJ/mol ( -245.0970731 Hartree)
Energy+ZPE= 88.5 kJ/mol ZPE= 0.0510045
CONNECTIONS:
o TS5 (225.5) o EQ0
o TS27 (121.9) o EQ4
o TS28 (189.8) o EQ5
o TS29 (133.4) o EQ6
o TS30 (576.1) o EQ15
o TS31 (627.9) o EQ47
o TS32 (623.2) o EQ48
o TS33 (640.7) o EQ56
o TS34 (285.2) o DDC5
o TS35 (410.8) o DDC6
o UDC5 o
o UDC6 o
Cs ENERGY= 101.3 kJ/mol ( -245.0927075 Hartree)
Energy+ZPE= 100.4 kJ/mol ZPE= 0.0511540
CONNECTIONS:
o TS16 (242.6) o EQ1
o TS27 (121.9) o EQ3
o TS36 (183.6) o EQ4
o TS37 (141.3) o EQ5
o TS38 (696.5) o EQ16
o TS39 (778.2) o EQ98
o UDC7 o
o UDC8 o
Cs ENERGY= 114.9 kJ/mol ( -245.0875094 Hartree)
Energy+ZPE= 112.3 kJ/mol ZPE= 0.0505035
CONNECTIONS:
o TS28 (189.8) o EQ3
o TS37 (141.3) o EQ4
o TS40 (137.3) o EQ6
o TS41 (714.9) o EQ37
o TS42 (637.1) o EQ46
o TS43 (696.6) o EQ47
o TS44 (583.1) o EQ73
o TS45 (589.3) o EQ78
o TS46 (285.9) o DDC7
o UDC9 o
o UDC10 o
C1 ENERGY= 130.9 kJ/mol ( -245.0814277 Hartree)
Energy+ZPE= 127.8 kJ/mol ZPE= 0.0503028
CONNECTIONS:
o TS29 (133.4) o EQ3
o TS40 (137.3) o EQ5
o TS47 (138.8) o EQ6
o TS48 (227.6) o EQ6
o TS49 (616.4) o EQ46
o TS50 (684.3) o EQ46
o TS51 (642.2) o EQ48
o TS52 (408.5) o DDC8
o UDC11 o
C1 ENERGY= 175.2 kJ/mol ( -245.0645719 Hartree)
Energy+ZPE= 162.0 kJ/mol ZPE= 0.0464436
CONNECTIONS:
o TS53 (322.0) o EQ7
o TS54 (180.1) o EQ8
o TS55 (549.7) o EQ81
C1 ENERGY= 178.3 kJ/mol ( -245.0633900 Hartree)
Energy+ZPE= 164.2 kJ/mol ZPE= 0.0461222
CONNECTIONS:
o TS54 (180.1) o EQ7
o TS56 (178.3) o EQ8
C1 ENERGY= 216.3 kJ/mol ( -245.0489118 Hartree)
Energy+ZPE= 214.5 kJ/mol ZPE= 0.0508074
CONNECTIONS:
o TS57 (218.8) o EQ9
o TS58 (228.0) o EQ9
o TS59 (269.7) o EQ9
o TS60 (422.4) o EQ9
o TS61 (275.8) o EQ10
o TS62 (571.7) o EQ12
o TS63 (288.6) o EQ14
o TS64 (511.3) o EQ24
o TS65 (522.1) o EQ28
o TS66 (1050.9) o EQ38
o TS67 (984.9) o EQ41
o TS68 (560.6) o EQ49
o TS69 (554.0) o EQ62
o TS70 (486.5) o EQ65
o TS71 (493.0) o EQ67
o TS72 (548.0) o EQ68
o TS73 (844.2) o EQ133
o TS74 (851.3) o EQ134
o TS75 (859.5) o EQ135
o TS76 (885.3) o EQ139
o TS77 (1024.9) o EQ151
o TS78 (1026.0) o EQ151
o TS79 (523.3) o DDC9
o TS80 (612.8) o DDC10
o TS81 (635.6) o DDC11
o TS82 (689.6) o DDC12
o TS83 (704.1) o DDC13
o TS84 (869.2) o DDC14
o TS85 (890.4) o DDC15
o TS86 (917.7) o DDC16
o UDC12 o
Cs ENERGY= 221.9 kJ/mol ( -245.0467890 Hartree)
Energy+ZPE= 219.5 kJ/mol ZPE= 0.0505730
CONNECTIONS:
o TS6 (564.1) o EQ0
o TS61 (275.8) o EQ9
o TS87 (558.8) o EQ12
o TS88 (250.8) o EQ14
o TS89 (279.6) o EQ14
o TS90 (517.5) o EQ24
o TS91 (387.4) o EQ40
o TS92 (560.6) o EQ41
o TS93 (577.2) o EQ51
o TS94 (417.0) o DDC17
o TS95 (527.2) o DDC18
o TS96 (625.8) o DDC19
o UDC13 o
o UDC14 o
[ EQ11 ] C1 ENERGY= 230.9 kJ/mol ( -245.0433376 Hartree)
Energy+ZPE= 227.1 kJ/mol ZPE= 0.0500552
CONNECTIONS:
o TS97 (233.5) o EQ11
o TS98 (274.8) o EQ11
o TS99 (301.0) o EQ12
o TS100 (308.0) o EQ12
o TS101 (311.9) o EQ12
o TS102 (327.8) o EQ12
o TS103 (543.5) o EQ12
o TS104 (550.5) o EQ12
o TS105 (452.0) o EQ13
o TS106 (301.9) o EQ20
o TS107 (550.3) o EQ24
o TS108 (465.7) o EQ26
o TS109 (624.5) o EQ28
o TS110 (581.2) o EQ32
o TS111 (581.6) o EQ37
o TS112 (637.9) o EQ37
o TS113 (602.2) o EQ38
o TS114 (622.5) o EQ38
o TS115 (578.2) o EQ42
o TS116 (559.4) o EQ46
o TS117 (504.2) o EQ52
o TS118 (614.3) o EQ59
o TS119 (688.3) o EQ68
o TS120 (1364.3) o EQ91
o TS121 (620.9) o EQ95
o TS122 (811.8) o EQ119
o TS123 (800.2) o EQ122
o TS124 (804.4) o EQ122
o TS125 (560.8) o DDC20
o TS126 (565.7) o DDC21
o TS127 (685.1) o DDC22
o UDC15 o
o UDC16 o
[ EQ12 ] C1 ENERGY= 232.9 kJ/mol ( -245.0425817 Hartree)
Energy+ZPE= 229.2 kJ/mol ZPE= 0.0500933
CONNECTIONS:
o TS62 (571.7) o EQ9
o TS87 (558.8) o EQ10
o TS99 (301.0) o EQ11
o TS100 (308.0) o EQ11
o TS101 (311.9) o EQ11
o TS102 (327.8) o EQ11
o TS103 (543.5) o EQ11
o TS104 (550.5) o EQ11
o TS128 (261.8) o EQ12
o TS129 (568.9) o EQ12
o TS130 (581.7) o EQ14
o TS131 (426.1) o EQ15
o TS132 (603.3) o EQ24
o TS133 (506.0) o EQ28
o TS134 (544.1) o EQ28
o TS135 (547.2) o EQ29
o TS136 (611.3) o EQ34
o TS137 (484.8) o EQ40
o TS138 (508.5) o EQ40
o TS139 (486.7) o EQ58
o TS140 (586.8) o EQ59
o TS141 (598.8) o EQ61
o TS142 (626.7) o EQ65
o TS143 (744.9) o EQ119
o TS144 (784.4) o EQ119
o TS145 (527.8) o DDC23
o TS146 (570.2) o DDC24
o TS147 (591.7) o DDC25
o TS148 (595.3) o DDC26
o TS149 (604.1) o DDC27
o TS150 (606.2) o DDC28
o TS151 (620.8) o DDC29
o TS995 (576.9) o xx
o UDC17 o
[ EQ13 ] Cs ENERGY= 247.0 kJ/mol ( -245.0371976 Hartree)
Energy+ZPE= 243.5 kJ/mol ZPE= 0.0501353
CONNECTIONS:
o TS105 (452.0) o EQ11
o TS152 (458.2) o EQ15
o TS153 (525.3) o EQ15
o TS154 (291.6) o EQ16
o TS155 (295.7) o EQ17
o TS156 (452.6) o EQ19
o TS157 (474.5) o EQ20
o TS158 (764.9) o EQ21
o TS159 (549.7) o EQ47
o TS160 (560.4) o EQ58
o TS161 (792.2) o EQ92
o TS162 (737.2) o EQ124
o TS163 (748.6) o EQ127
o TS164 (398.8) o DDC30
o TS165 (617.9) o DDC31
o UDC18 o
[ EQ14 ] Cs ENERGY= 247.3 kJ/mol ( -245.0370839 Hartree)
Energy+ZPE= 242.9 kJ/mol ZPE= 0.0498250
CONNECTIONS:
o TS63 (288.6) o EQ9
o TS88 (250.8) o EQ10
o TS89 (279.6) o EQ10
o TS130 (581.7) o EQ12
o TS166 (568.9) o DDC32
o UDC19 o
[ EQ15 ] Cs ENERGY= 261.5 kJ/mol ( -245.0316972 Hartree)
Energy+ZPE= 256.8 kJ/mol ZPE= 0.0496899
CONNECTIONS:
o TS30 (576.1) o EQ3
o TS131 (426.1) o EQ12
o TS152 (458.2) o EQ13
o TS153 (525.3) o EQ13
o TS167 (677.3) o EQ15
o TS168 (294.7) o EQ18
o TS169 (549.1) o EQ18
o TS170 (288.8) o EQ19
o TS171 (789.2) o EQ19
o TS172 (558.6) o EQ24
o TS173 (515.1) o EQ33
o TS174 (610.7) o EQ56
o TS175 (497.2) o EQ73
o TS176 (552.2) o EQ73
o TS177 (568.6) o EQ78
o TS178 (773.8) o EQ92
o TS179 (740.7) o EQ124
o TS180 (541.4) o DDC33
o TS181 (629.1) o DDC34
o TS996 (676.3) o xx
o UDC20 o
[ EQ16 ] Cs ENERGY= 275.9 kJ/mol ( -245.0261886 Hartree)
Energy+ZPE= 271.8 kJ/mol ZPE= 0.0499172
CONNECTIONS:
o TS38 (696.5) o EQ4
o TS154 (291.6) o EQ13
o TS182 (302.8) o EQ17
o TS183 (731.4) o EQ18
o TS184 (468.0) o EQ21
o TS185 (527.9) o EQ31
o TS186 (554.9) o EQ46
o TS187 (535.8) o EQ78
o TS188 (801.0) o EQ94
o TS189 (668.7) o DDC35
o TS190 (704.3) o DDC36
o UDC21 o
o UDC22 o
[ EQ17 ] Cs ENERGY= 281.8 kJ/mol ( -245.0239590 Hartree)
Energy+ZPE= 276.2 kJ/mol ZPE= 0.0493698
CONNECTIONS:
o TS155 (295.7) o EQ13
o TS182 (302.8) o EQ16
o TS191 (464.0) o EQ18
o TS192 (555.5) o EQ26
o TS193 (589.5) o EQ26
o TS194 (659.9) o EQ35
o TS195 (554.7) o EQ46
o TS196 (750.6) o EQ87
o TS197 (790.8) o EQ127
o TS198 (795.0) o EQ127
o TS199 (490.9) o DDC37
o TS200 (601.9) o DDC38
o TS201 (676.5) o DDC39
o TS202 (823.1) o DDC40
o UDC23 o
[ EQ18 ] Cs ENERGY= 282.2 kJ/mol ( -245.0238178 Hartree)
Energy+ZPE= 276.1 kJ/mol ZPE= 0.0491685
CONNECTIONS:
o TS168 (294.7) o EQ15
o TS169 (549.1) o EQ15
o TS183 (731.4) o EQ16
o TS191 (464.0) o EQ17
o TS203 (594.5) o EQ18
o TS204 (313.9) o EQ21
o TS205 (777.8) o EQ21
o TS206 (781.8) o EQ21
o TS207 (525.3) o EQ30
o TS208 (581.4) o EQ32
o TS209 (611.3) o EQ48
o TS210 (790.9) o EQ59
o TS211 (513.0) o EQ78
o TS212 (572.5) o EQ78
o TS213 (761.0) o EQ87
o TS214 (749.3) o EQ127
o TS215 (541.9) o DDC41
o TS216 (655.2) o DDC42
o UDC24 o
[ EQ19 ] Cs ENERGY= 283.6 kJ/mol ( -245.0232680 Hartree)
Energy+ZPE= 277.7 kJ/mol ZPE= 0.0492395
CONNECTIONS:
o TS156 (452.6) o EQ13
o TS170 (288.8) o EQ15
o TS171 (789.2) o EQ15
o TS217 (315.6) o EQ21
o TS218 (587.7) o EQ35
o TS219 (603.8) o EQ56
o TS220 (774.4) o EQ61
o TS221 (801.8) o EQ94
o TS222 (802.0) o EQ94
o TS223 (640.3) o DDC43
[ EQ20 ] Cs ENERGY= 291.3 kJ/mol ( -245.0203440 Hartree)
Energy+ZPE= 288.2 kJ/mol ZPE= 0.0503097
CONNECTIONS:
o TS106 (301.9) o EQ11
o TS157 (474.5) o EQ13
o TS224 (485.6) o EQ24
o TS225 (469.9) o EQ26
o TS226 (512.7) o EQ28
o TS227 (344.0) o EQ31
o TS228 (629.7) o EQ97
o TS229 (864.5) o EQ113
o TS230 (845.5) o EQ117
o TS231 (874.3) o EQ117
o TS232 (603.7) o DDC44
o UDC25 o
o UDC26 o
[ EQ21 ] Cs ENERGY= 308.2 kJ/mol ( -245.0138961 Hartree)
Energy+ZPE= 300.2 kJ/mol ZPE= 0.0484530
CONNECTIONS:
o TS158 (764.9) o EQ13
o TS184 (468.0) o EQ16
o TS204 (313.9) o EQ18
o TS205 (777.8) o EQ18
o TS206 (781.8) o EQ18
o TS217 (315.6) o EQ19
o TS233 (596.7) o EQ35
o TS234 (605.5) o EQ48
o TS235 (772.5) o EQ87
o TS236 (570.0) o DDC45
o TS237 (677.6) o DDC46
o UDC27 o
[ EQ22 ] C1 ENERGY= 320.2 kJ/mol ( -245.0093371 Hartree)
Energy+ZPE= 316.8 kJ/mol ZPE= 0.0501795
CONNECTIONS:
o TS238 (780.0) o DDC47
o UDC28 o
[ EQ23 ] C1 ENERGY= 320.2 kJ/mol ( -245.0093320 Hartree)
Energy+ZPE= 316.8 kJ/mol ZPE= 0.0501933
CONNECTIONS:
o TS239 (320.2) o EQ23
o TS240 (604.1) o EQ57
o TS241 (948.3) o EQ101
o TS242 (859.3) o DDC48
o UDC29 o
o UDC30 o
[ EQ24 ] C1 ENERGY= 320.8 kJ/mol ( -245.0091060 Hartree)
Energy+ZPE= 318.2 kJ/mol ZPE= 0.0504804
CONNECTIONS:
o TS7 (567.6) o EQ0
o TS64 (511.3) o EQ9
o TS90 (517.5) o EQ10
o TS107 (550.3) o EQ11
o TS132 (603.3) o EQ12
o TS172 (558.6) o EQ15
o TS224 (485.6) o EQ20
o TS243 (459.0) o EQ28
o TS244 (343.6) o EQ32
o TS245 (347.0) o EQ34
o TS246 (638.5) o EQ43
o TS247 (496.0) o EQ62
o TS248 (663.8) o DDC49
o TS249 (664.9) o DDC50
o TS250 (701.2) o DDC51
o TS997 (482.5) o xx
o UDC31 o
o UDC32 o
[ EQ25 ] Cs ENERGY= 323.8 kJ/mol ( -245.0079575 Hartree)
Energy+ZPE= 316.9 kJ/mol ZPE= 0.0488520
CONNECTIONS:
o TS251 (329.8) o EQ25
o TS252 (504.4) o EQ25
o TS253 (385.1) o EQ27
o TS254 (588.7) o EQ82
o TS255 (894.5) o EQ138
o TS256 (907.9) o EQ138
o TS257 (654.8) o DDC52
o TS258 (697.3) o DDC53
o TS259 (713.9) o DDC54
[ EQ26 ] Cs ENERGY= 325.0 kJ/mol ( -245.0074893 Hartree)
Energy+ZPE= 317.8 kJ/mol ZPE= 0.0487548
CONNECTIONS:
o TS108 (465.7) o EQ11
o TS192 (555.5) o EQ17
o TS193 (589.5) o EQ17
o TS225 (469.9) o EQ20
o TS260 (575.9) o EQ26
o TS261 (354.5) o EQ35
o TS262 (361.3) o EQ35
o TS263 (578.6) o EQ35
o TS264 (354.5) o EQ36
o TS265 (575.1) o EQ61
o TS266 (733.0) o EQ71
o TS267 (557.3) o EQ83
o TS268 (601.9) o EQ93
o TS269 (569.9) o DDC55
o TS270 (601.1) o DDC56
o TS271 (620.4) o DDC57
o TS272 (694.6) o DDC58
o UDC33 o
o UDC34 o
[ EQ27 ] Cs ENERGY= 330.4 kJ/mol ( -245.0054402 Hartree)
Energy+ZPE= 322.5 kJ/mol ZPE= 0.0484953
CONNECTIONS:
o TS253 (385.1) o EQ25
o TS273 (333.3) o EQ27
o TS274 (694.7) o EQ35
o TS275 (562.0) o EQ80
o TS276 (1121.4) o EQ141
o TS277 (520.9) o DDC59
o TS278 (670.0) o DDC60
o TS279 (724.5) o DDC61
o TS280 (736.0) o DDC62
o TS281 (756.5) o DDC63
o TS282 (783.0) o DDC64
o TS998 (609.3) o xx
o UDC35 o
[ EQ28 ] C1 ENERGY= 330.9 kJ/mol ( -245.0052711 Hartree)
Energy+ZPE= 327.9 kJ/mol ZPE= 0.0503391
CONNECTIONS:
o TS8 (567.4) o EQ0
o TS17 (564.8) o EQ1
o TS65 (522.1) o EQ9
o TS109 (624.5) o EQ11
o TS133 (506.0) o EQ12
o TS134 (544.1) o EQ12
o TS226 (512.7) o EQ20
o TS243 (459.0) o EQ24
o TS283 (337.9) o EQ29
o TS284 (351.8) o EQ29
o TS285 (494.0) o EQ33
o TS286 (631.4) o EQ39
o TS287 (515.8) o EQ68
o TS288 (551.9) o EQ73
o TS289 (588.0) o DDC65
[ EQ29 ] C1 ENERGY= 334.6 kJ/mol ( -245.0038569 Hartree)
Energy+ZPE= 331.2 kJ/mol ZPE= 0.0501816
CONNECTIONS:
o TS9 (561.0) o EQ0
o TS135 (547.2) o EQ12
o TS283 (337.9) o EQ28
o TS284 (351.8) o EQ28
o TS290 (490.5) o EQ30
o TS291 (551.5) o EQ31
o TS292 (477.0) o EQ32
o TS293 (635.7) o EQ39
o TS294 (555.8) o EQ65
o TS295 (530.5) o EQ76
o TS296 (560.3) o EQ78
o TS297 (600.2) o DDC66
o TS298 (652.6) o DDC67
o TS299 (849.0) o DDC68
o UDC36 o
o UDC37 o
o UDC38 o
[ EQ30 ] C1 ENERGY= 335.4 kJ/mol ( -245.0035323 Hartree)
Energy+ZPE= 330.2 kJ/mol ZPE= 0.0495227
CONNECTIONS:
o TS207 (525.3) o EQ18
o TS290 (490.5) o EQ29
o TS300 (336.9) o EQ30
o TS301 (494.9) o EQ32
o TS302 (346.1) o EQ33
o TS303 (557.5) o EQ35
o TS304 (522.0) o EQ48
o TS305 (575.8) o EQ84
o TS306 (704.1) o EQ108
o TS307 (822.0) o EQ119
o TS308 (863.0) o EQ119
o TS309 (877.3) o EQ119
o TS310 (886.8) o EQ119
o TS311 (806.4) o EQ122
o TS312 (826.7) o EQ122
o TS313 (581.1) o DDC69
o UDC39 o
o UDC40 o
[ EQ31 ] Cs ENERGY= 340.8 kJ/mol ( -245.0014829 Hartree)
Energy+ZPE= 336.0 kJ/mol ZPE= 0.0496687
CONNECTIONS:
o TS185 (527.9) o EQ16
o TS227 (344.0) o EQ20
o TS291 (551.5) o EQ29
o TS314 (537.2) o EQ32
o TS315 (530.9) o EQ36
o TS316 (638.4) o EQ96
o TS317 (855.0) o EQ117
o UDC41 o
o UDC42 o
[ EQ32 ] C1 ENERGY= 341.8 kJ/mol ( -245.0011029 Hartree)
Energy+ZPE= 338.3 kJ/mol ZPE= 0.0501428
CONNECTIONS:
o TS10 (577.6) o EQ0
o TS110 (581.2) o EQ11
o TS208 (581.4) o EQ18
o TS244 (343.6) o EQ24
o TS292 (477.0) o EQ29
o TS301 (494.9) o EQ30
o TS314 (537.2) o EQ31
o TS318 (345.3) o EQ34
o TS319 (656.8) o EQ43
o TS320 (594.9) o EQ46
o TS321 (573.8) o EQ67
o TS322 (973.7) o EQ119
o TS323 (711.5) o DDC70
o TS324 (757.4) o DDC71
o UDC43 o
o UDC44 o
[ EQ33 ] Cs ENERGY= 344.5 kJ/mol ( -245.0000961 Hartree)
Energy+ZPE= 338.8 kJ/mol ZPE= 0.0493340
CONNECTIONS:
o TS173 (515.1) o EQ15
o TS285 (494.0) o EQ28
o TS302 (346.1) o EQ30
o TS325 (541.8) o EQ56
o TS326 (627.9) o EQ97
o TS327 (583.1) o DDC72
o TS999 (543.3) o xx
o UDC45 o
o UDC46 o
[ EQ34 ] C1 ENERGY= 345.2 kJ/mol ( -244.9998099 Hartree)
Energy+ZPE= 340.9 kJ/mol ZPE= 0.0498638
CONNECTIONS:
o TS136 (611.3) o EQ12
o TS245 (347.0) o EQ24
o TS318 (345.3) o EQ32
o TS328 (511.5) o EQ66
o TS329 (824.3) o DDC73
o UDC47 o
o UDC48 o
[ EQ35 ] C1 ENERGY= 345.9 kJ/mol ( -244.9995362 Hartree)
Energy+ZPE= 337.5 kJ/mol ZPE= 0.0482791
CONNECTIONS:
o TS194 (659.9) o EQ17
o TS218 (587.7) o EQ19
o TS233 (596.7) o EQ21
o TS261 (354.5) o EQ26
o TS262 (361.3) o EQ26
o TS263 (578.6) o EQ26
o TS274 (694.7) o EQ27
o TS303 (557.5) o EQ30
o TS330 (349.7) o EQ35
o TS331 (652.0) o EQ45
o TS332 (656.6) o EQ45
o TS333 (707.0) o EQ59
o TS334 (640.8) o EQ84
o TS335 (754.4) o EQ87
o TS336 (615.0) o EQ93
o TS337 (770.4) o EQ124
o TS338 (498.2) o DDC74
o TS339 (567.7) o DDC75
o UDC49 o
[ EQ36 ] Cs ENERGY= 354.4 kJ/mol ( -244.9963165 Hartree)
Energy+ZPE= 345.4 kJ/mol ZPE= 0.0480628
CONNECTIONS:
o TS264 (354.5) o EQ26
o TS315 (530.9) o EQ31
o TS340 (730.5) o EQ71
o TS341 (650.8) o DDC76
o UDC50 o
o UDC51 o
[ EQ37 ] Cs ENERGY= 363.6 kJ/mol ( -244.9927954 Hartree)
Energy+ZPE= 358.4 kJ/mol ZPE= 0.0495001
CONNECTIONS:
o TS41 (714.9) o EQ5
o TS111 (581.6) o EQ11
o TS112 (637.9) o EQ11
o TS342 (751.5) o EQ37
o TS343 (465.5) o EQ38
o TS344 (941.5) o EQ38
o TS345 (388.4) o EQ42
o TS346 (416.6) o EQ43
o TS347 (427.3) o EQ43
o TS348 (691.5) o EQ54
o TS349 (427.2) o EQ55
o TS350 (620.4) o EQ91
o TS351 (763.2) o EQ120
o TS352 (823.4) o EQ121
o TS353 (764.3) o DDC77
[ EQ38 ] C1 ENERGY= 374.6 kJ/mol ( -244.9886077 Hartree)
Energy+ZPE= 368.4 kJ/mol ZPE= 0.0491071
CONNECTIONS:
o TS66 (1050.9) o EQ9
o TS113 (602.2) o EQ11
o TS114 (622.5) o EQ11
o TS343 (465.5) o EQ37
o TS344 (941.5) o EQ37
o TS354 (377.1) o EQ38
o TS355 (407.2) o EQ38
o TS356 (416.5) o EQ39
o TS357 (419.4) o EQ39
o TS358 (479.2) o EQ42
o TS359 (1047.5) o EQ67
o TS360 (1042.6) o EQ76
o TS361 (624.7) o EQ90
o TS362 (628.7) o EQ104
o TS363 (696.0) o EQ116
o TS364 (878.0) o EQ136
o TS365 (932.9) o EQ140
o TS366 (1076.2) o EQ155
o TS367 (634.7) o DDC78
o TS368 (791.0) o DDC79
o UDC52 o
[ EQ39 ] C1 ENERGY= 378.9 kJ/mol ( -244.9869600 Hartree)
Energy+ZPE= 371.3 kJ/mol ZPE= 0.0485938
CONNECTIONS:
o TS286 (631.4) o EQ28
o TS293 (635.7) o EQ29
o TS356 (416.5) o EQ38
o TS357 (419.4) o EQ38
o TS369 (381.8) o EQ39
o TS370 (408.3) o EQ39
o TS371 (476.9) o EQ43
o TS372 (697.5) o EQ64
o TS373 (699.5) o EQ64
o TS374 (697.2) o EQ74
o TS375 (712.9) o EQ75
o TS376 (629.2) o EQ98
o TS377 (641.1) o EQ98
o TS378 (630.9) o EQ99
o TS379 (637.4) o EQ99
o TS380 (643.3) o DDC80
o TS381 (658.7) o DDC81
o TS382 (771.2) o DDC82
o TS383 (809.2) o DDC83
o UDC53 o
o UDC54 o
[ EQ40 ] C1 ENERGY= 380.5 kJ/mol ( -244.9863685 Hartree)
Energy+ZPE= 376.7 kJ/mol ZPE= 0.0500254
CONNECTIONS:
o TS91 (387.4) o EQ10
o TS137 (484.8) o EQ12
o TS138 (508.5) o EQ12
o TS384 (396.1) o EQ40
o TS385 (425.1) o EQ52
o TS386 (700.5) o EQ55
o TS387 (624.5) o EQ97
o TS388 (439.9) o DDC84
o TS389 (520.4) o DDC85
o UDC55 o
[ EQ41 ] C1 ENERGY= 387.1 kJ/mol ( -244.9838589 Hartree)
Energy+ZPE= 383.6 kJ/mol ZPE= 0.0501443
CONNECTIONS:
o TS67 (984.9) o EQ9
o TS92 (560.6) o EQ10
o TS390 (395.6) o EQ41
o TS391 (416.0) o EQ41
o TS392 (421.2) o EQ41
o TS393 (527.9) o EQ55
o TS394 (501.1) o EQ63
o TS395 (982.6) o EQ135
o TS396 (987.9) o EQ139
o TS397 (762.0) o DDC86
o TS398 (1009.6) o DDC87
o TS399 (1046.6) o DDC88
o UDC56 o
[ EQ42 ] Cs ENERGY= 388.3 kJ/mol ( -244.9833937 Hartree)
Energy+ZPE= 381.1 kJ/mol ZPE= 0.0487405
CONNECTIONS:
o TS115 (578.2) o EQ11
o TS345 (388.4) o EQ37
o TS358 (479.2) o EQ38
o TS400 (775.9) o EQ42
o TS401 (694.7) o EQ54
o UDC57 o
[ EQ43 ] C1 ENERGY= 388.6 kJ/mol ( -244.9832851 Hartree)
Energy+ZPE= 381.1 kJ/mol ZPE= 0.0486306
CONNECTIONS:
o TS246 (638.5) o EQ24
o TS319 (656.8) o EQ32
o TS346 (416.6) o EQ37
o TS347 (427.3) o EQ37
o TS371 (476.9) o EQ39
o TS402 (390.4) o EQ43
o TS403 (1053.6) o EQ62
o TS404 (728.0) o EQ64
o TS405 (1028.8) o EQ66
o TS406 (680.1) o EQ75
o TS407 (688.4) o EQ75
o TS408 (634.7) o EQ91
o TS409 (643.0) o EQ102
o TS410 (647.9) o EQ102
o TS411 (782.1) o EQ117
o TS412 (839.0) o EQ121
o TS413 (895.1) o EQ140
o TS414 (914.7) o EQ140
o TS415 (666.6) o DDC89
o TS416 (854.6) o DDC90
o UDC58 o
[ EQ44 ] Cs ENERGY= 391.9 kJ/mol ( -244.9820167 Hartree)
Energy+ZPE= 385.1 kJ/mol ZPE= 0.0489094
CONNECTIONS:
o TS417 (472.8) o EQ49
o TS418 (498.5) o EQ50
o TS419 (510.2) o EQ50
o TS420 (459.0) o EQ60
o TS421 (462.5) o EQ60
o TS422 (402.0) o DDC91
o TS423 (431.1) o DDC92
[ EQ45 ] Cs ENERGY= 395.7 kJ/mol ( -244.9805650 Hartree)
Energy+ZPE= 389.7 kJ/mol ZPE= 0.0492084
CONNECTIONS:
o TS331 (652.0) o EQ35
o TS332 (656.6) o EQ35
o TS424 (504.4) o EQ45
o TS425 (662.9) o EQ45
o TS426 (428.4) o EQ57
o TS427 (653.8) o EQ59
o TS428 (674.8) o EQ59
o TS429 (673.1) o EQ61
o TS430 (683.8) o EQ87
o TS431 (873.8) o EQ122
o TS432 (629.2) o DDC93
o UDC59 o
o UDC60 o
[ EQ46 ] Cs ENERGY= 396.3 kJ/mol ( -244.9803630 Hartree)
Energy+ZPE= 390.8 kJ/mol ZPE= 0.0493824
CONNECTIONS:
o TS42 (637.1) o EQ5
o TS49 (616.4) o EQ6
o TS50 (684.3) o EQ6
o TS116 (559.4) o EQ11
o TS186 (554.9) o EQ16
o TS195 (554.7) o EQ17
o TS320 (594.9) o EQ32
o TS433 (427.5) o EQ46
o TS434 (669.5) o EQ46
o TS435 (824.1) o EQ46
o TS436 (453.7) o EQ47
o TS437 (533.8) o EQ48
o TS438 (542.5) o EQ48
o TS439 (779.0) o EQ49
o TS440 (770.2) o EQ51
o TS441 (598.8) o EQ56
o TS442 (775.6) o EQ78
o TS443 (688.1) o EQ96
o TS444 (889.8) o EQ113
o TS445 (768.0) o EQ123
o TS446 (749.6) o EQ126
o TS447 (537.4) o DDC94
o TS448 (835.3) o DDC95
o TS449 (895.4) o DDC96
[ EQ47 ] C1 ENERGY= 402.9 kJ/mol ( -244.9778161 Hartree)
Energy+ZPE= 396.3 kJ/mol ZPE= 0.0489669
CONNECTIONS:
o TS31 (627.9) o EQ3
o TS43 (696.6) o EQ5
o TS159 (549.7) o EQ13
o TS436 (453.7) o EQ46
o TS450 (427.3) o EQ47
o TS451 (442.6) o EQ47
o TS452 (593.6) o EQ48
o TS453 (722.4) o EQ50
o TS454 (521.3) o EQ56
o TS455 (524.0) o EQ56
o TS456 (549.6) o EQ56
o TS457 (780.3) o EQ129
o TS458 (452.0) o DDC97
o TS459 (635.7) o DDC98
o TS460 (839.9) o DDC99
o UDC61 o
[ EQ48 ] Cs ENERGY= 405.5 kJ/mol ( -244.9768326 Hartree)
Energy+ZPE= 399.3 kJ/mol ZPE= 0.0491391
CONNECTIONS:
o TS32 (623.2) o EQ3
o TS51 (642.2) o EQ6
o TS209 (611.3) o EQ18
o TS234 (605.5) o EQ21
o TS304 (522.0) o EQ30
o TS437 (533.8) o EQ46
o TS438 (542.5) o EQ46
o TS452 (593.6) o EQ47
o TS461 (463.9) o EQ56
o TS462 (742.1) o EQ123
o TS463 (616.9) o DDC100
[ EQ49 ] C1 ENERGY= 409.3 kJ/mol ( -244.9754130 Hartree)
Energy+ZPE= 403.9 kJ/mol ZPE= 0.0494316
CONNECTIONS:
o TS18 (548.1) o EQ1
o TS68 (560.6) o EQ9
o TS417 (472.8) o EQ44
o TS439 (779.0) o EQ46
o TS464 (415.6) o EQ49
o TS465 (417.0) o EQ49
o TS466 (462.1) o EQ49
o TS467 (644.9) o EQ49
o TS468 (506.0) o EQ51
o TS469 (489.1) o EQ60
o TS470 (626.8) o EQ96
o TS471 (765.0) o EQ123
o TS472 (770.1) o EQ123
o TS473 (539.8) o DDC101
o TS474 (652.4) o DDC102
o TS475 (672.4) o DDC103
o UDC62 o
o UDC63 o
[ EQ50 ] C1 ENERGY= 414.2 kJ/mol ( -244.9735381 Hartree)
Energy+ZPE= 408.3 kJ/mol ZPE= 0.0492573
CONNECTIONS:
o TS11 (580.6) o EQ0
o TS418 (498.5) o EQ44
o TS419 (510.2) o EQ44
o TS453 (722.4) o EQ47
o TS476 (417.6) o EQ50
o TS477 (424.8) o EQ50
o TS478 (474.5) o EQ50
o TS479 (476.4) o EQ50
o TS480 (483.1) o EQ51
o TS481 (485.7) o EQ51
o TS482 (569.7) o EQ62
o TS483 (798.2) o EQ129
o TS484 (557.6) o DDC104
o TS485 (598.7) o DDC105
o TS486 (674.0) o DDC106
o UDC64 o
[ EQ51 ] C1 ENERGY= 417.1 kJ/mol ( -244.9724401 Hartree)
Energy+ZPE= 412.9 kJ/mol ZPE= 0.0498744
CONNECTIONS:
o TS19 (578.7) o EQ1
o TS93 (577.2) o EQ10
o TS440 (770.2) o EQ46
o TS468 (506.0) o EQ49
o TS480 (483.1) o EQ50
o TS481 (485.7) o EQ50
o TS487 (422.8) o EQ51
o TS488 (425.3) o EQ51
o TS489 (475.2) o EQ51
o TS490 (572.1) o EQ66
o TS491 (783.4) o EQ126
o TS492 (1137.4) o EQ146
o UDC65 o
[ EQ52 ] Cs ENERGY= 418.9 kJ/mol ( -244.9717403 Hartree)
Energy+ZPE= 410.4 kJ/mol ZPE= 0.0482343
CONNECTIONS:
o TS117 (504.2) o EQ11
o TS385 (425.1) o EQ40
o TS493 (747.3) o EQ96
o TS494 (521.5) o DDC107
o TS495 (543.9) o DDC108
o TS496 (598.1) o DDC109
o TS497 (615.4) o DDC110
[ EQ53 ] C1 ENERGY= 422.1 kJ/mol ( -244.9705287 Hartree)
Energy+ZPE= 406.1 kJ/mol ZPE= 0.0453924
CONNECTIONS:
o TS498 (578.7) o EQ53
o TS499 (581.6) o EQ53
o TS500 (541.6) o EQ81
o TS501 (549.5) o DDC111
o TS502 (936.4) o DDC112
[ EQ54 ] C1 ENERGY= 422.6 kJ/mol ( -244.9703189 Hartree)
Energy+ZPE= 411.2 kJ/mol ZPE= 0.0471320
CONNECTIONS:
o TS348 (691.5) o EQ37
o TS401 (694.7) o EQ42
o TS503 (424.8) o EQ54
o TS504 (470.1) o EQ54
o TS505 (531.4) o EQ54
o TS506 (559.2) o EQ64
o TS507 (707.1) o EQ112
o TS508 (427.1) o DDC113
o TS509 (729.4) o DDC114
o UDC66 o
[ EQ55 ] Cs ENERGY= 422.9 kJ/mol ( -244.9702316 Hartree)
Energy+ZPE= 415.4 kJ/mol ZPE= 0.0486139
CONNECTIONS:
o TS349 (427.2) o EQ37
o TS386 (700.5) o EQ40
o TS393 (527.9) o EQ41
o TS510 (505.1) o EQ55
o TS511 (758.6) o EQ63
o TS512 (734.1) o EQ120
o TS513 (777.7) o EQ125
o TS514 (1066.1) o EQ135
o TS515 (1095.6) o EQ139
o TS516 (1034.2) o EQ140
o TS517 (1059.1) o EQ147
o TS518 (903.6) o DDC115
o UDC67 o
o UDC68 o
[ EQ56 ] Cs ENERGY= 427.3 kJ/mol ( -244.9685405 Hartree)
Energy+ZPE= 418.4 kJ/mol ZPE= 0.0481096
CONNECTIONS:
o TS33 (640.7) o EQ3
o TS174 (610.7) o EQ15
o TS219 (603.8) o EQ19
o TS325 (541.8) o EQ33
o TS441 (598.8) o EQ46
o TS454 (521.3) o EQ47
o TS455 (524.0) o EQ47
o TS456 (549.6) o EQ47
o TS461 (463.9) o EQ48
o TS519 (588.3) o DDC116
o TS520 (594.1) o DDC117
o TS521 (600.5) o DDC118
o TS522 (738.0) o DDC119
o TS523 (804.1) o DDC120
[ EQ57 ] C1 ENERGY= 428.1 kJ/mol ( -244.9682556 Hartree)
Energy+ZPE= 419.8 kJ/mol ZPE= 0.0483277
CONNECTIONS:
o TS240 (604.1) o EQ23
o TS426 (428.4) o EQ45
o TS524 (428.1) o EQ57
o TS525 (633.8) o EQ57
o TS526 (682.3) o EQ71
o TS527 (702.7) o EQ89
o TS528 (925.0) o DDC121
o UDC69 o
o UDC70 o
[ EQ58 ] Cs ENERGY= 436.3 kJ/mol ( -244.9651029 Hartree)
Energy+ZPE= 423.5 kJ/mol ZPE= 0.0466132
CONNECTIONS:
o TS139 (486.7) o EQ12
o TS160 (560.4) o EQ13
o TS529 (503.5) o DDC122
o TS530 (680.8) o DDC123
[ EQ59 ] C1 ENERGY= 446.9 kJ/mol ( -244.9610939 Hartree)
Energy+ZPE= 440.9 kJ/mol ZPE= 0.0492172
CONNECTIONS:
o TS118 (614.3) o EQ11
o TS140 (586.8) o EQ12
o TS210 (790.9) o EQ18
o TS333 (707.0) o EQ35
o TS427 (653.8) o EQ45
o TS428 (674.8) o EQ45
o TS531 (468.7) o EQ61
o TS532 (481.1) o EQ61
o TS533 (701.4) o EQ61
o TS534 (793.5) o EQ82
o TS535 (630.8) o EQ86
o TS536 (755.8) o EQ121
o TS537 (763.3) o EQ121
o TS538 (771.8) o EQ124
o TS539 (705.2) o DDC124
o TS540 (735.5) o DDC125
[ EQ60 ] Cs ENERGY= 447.2 kJ/mol ( -244.9609482 Hartree)
Energy+ZPE= 437.6 kJ/mol ZPE= 0.0478491
CONNECTIONS:
o TS420 (459.0) o EQ44
o TS421 (462.5) o EQ44
o TS469 (489.1) o EQ49
o TS541 (476.7) o DDC126
o TS542 (640.8) o DDC127
[ EQ61 ] C1 ENERGY= 467.0 kJ/mol ( -244.9534064 Hartree)
Energy+ZPE= 459.1 kJ/mol ZPE= 0.0484955
CONNECTIONS:
o TS141 (598.8) o EQ12
o TS220 (774.4) o EQ19
o TS265 (575.1) o EQ26
o TS429 (673.1) o EQ45
o TS531 (468.7) o EQ59
o TS532 (481.1) o EQ59
o TS533 (701.4) o EQ59
o TS543 (596.7) o DDC128
o TS544 (622.0) o DDC129
[ EQ62 ] Cs ENERGY= 468.7 kJ/mol ( -244.9527648 Hartree)
Energy+ZPE= 459.4 kJ/mol ZPE= 0.0479544
CONNECTIONS:
o TS69 (554.0) o EQ9
o TS247 (496.0) o EQ24
o TS403 (1053.6) o EQ43
o TS482 (569.7) o EQ50
o TS545 (492.0) o EQ66
o TS546 (515.5) o EQ68
o TS547 (1034.9) o DDC130
o UDC71 o
[ EQ63 ] C1 ENERGY= 474.1 kJ/mol ( -244.9507209 Hartree)
Energy+ZPE= 466.2 kJ/mol ZPE= 0.0484934
CONNECTIONS:
o TS394 (501.1) o EQ41
o TS511 (758.6) o EQ55
o TS548 (474.2) o EQ63
o TS549 (526.7) o EQ63
o TS550 (529.3) o EQ63
o TS551 (570.2) o EQ64
o TS552 (1048.3) o EQ146
o TS553 (1089.1) o EQ146
o TS554 (779.6) o DDC131
o TS555 (863.3) o DDC132
o UDC72 o
o UDC73 o
o UDC74 o
[ EQ64 ] Cs ENERGY= 474.6 kJ/mol ( -244.9505090 Hartree)
Energy+ZPE= 466.3 kJ/mol ZPE= 0.0483177
CONNECTIONS:
o TS20 (753.8) o EQ1
o TS372 (697.5) o EQ39
o TS373 (699.5) o EQ39
o TS404 (728.0) o EQ43
o TS506 (559.2) o EQ54
o TS551 (570.2) o EQ63
o TS556 (586.5) o EQ64
o TS557 (594.1) o EQ64
o TS558 (489.6) o EQ69
o TS559 (720.5) o EQ112
o TS560 (760.9) o EQ128
o TS561 (773.5) o EQ128
o TS562 (782.1) o EQ128
o TS563 (701.9) o DDC133
o TS564 (753.1) o DDC134
[ EQ65 ] Cs ENERGY= 474.7 kJ/mol ( -244.9505008 Hartree)
Energy+ZPE= 466.6 kJ/mol ZPE= 0.0483938
CONNECTIONS:
o TS70 (486.5) o EQ9
o TS142 (626.7) o EQ12
o TS294 (555.8) o EQ29
o TS565 (543.7) o EQ67
o TS566 (565.5) o EQ76
o TS567 (1029.8) o EQ152
o TS568 (824.2) o DDC135
o UDC75 o
o UDC76 o
o UDC77 o
[ EQ66 ] Cs ENERGY= 480.9 kJ/mol ( -244.9481404 Hartree)
Energy+ZPE= 470.9 kJ/mol ZPE= 0.0476905
CONNECTIONS:
o TS328 (511.5) o EQ34
o TS405 (1028.8) o EQ43
o TS490 (572.1) o EQ51
o TS545 (492.0) o EQ62
o TS569 (562.5) o EQ67
o TS570 (532.2) o EQ76
o TS571 (1039.0) o EQ154
o TS572 (678.0) o DDC136
o TS573 (812.7) o DDC137
o UDC78 o
o UDC79 o
[ EQ67 ] Cs ENERGY= 484.3 kJ/mol ( -244.9468202 Hartree)
Energy+ZPE= 474.8 kJ/mol ZPE= 0.0478822
CONNECTIONS:
o TS71 (493.0) o EQ9
o TS321 (573.8) o EQ32
o TS359 (1047.5) o EQ38
o TS565 (543.7) o EQ65
o TS569 (562.5) o EQ66
o TS574 (667.5) o DDC138
o TS575 (683.0) o DDC139
o TS576 (819.7) o DDC140
o TS577 (823.7) o DDC141
o TS578 (831.6) o DDC142
o TS579 (832.3) o DDC143
o TS580 (914.9) o DDC144
o UDC80 o
o UDC81 o
o UDC82 o
[ EQ68 ] Cs ENERGY= 486.8 kJ/mol ( -244.9458782 Hartree)
Energy+ZPE= 476.5 kJ/mol ZPE= 0.0475808
CONNECTIONS:
o TS72 (548.0) o EQ9
o TS119 (688.3) o EQ11
o TS287 (515.8) o EQ28
o TS546 (515.5) o EQ62
o TS581 (509.4) o EQ76
o TS582 (650.6) o DDC145
[ EQ69 ] Cs ENERGY= 489.4 kJ/mol ( -244.9449045 Hartree)
Energy+ZPE= 479.2 kJ/mol ZPE= 0.0476000
CONNECTIONS:
o TS21 (542.3) o EQ1
o TS558 (489.6) o EQ64
o TS583 (599.5) o EQ69
o UDC83 o
[ EQ70 ] Cs ENERGY= 495.1 kJ/mol ( -244.9427161 Hartree)
Energy+ZPE= 492.6 kJ/mol ZPE= 0.0505275
CONNECTIONS:
o TS584 (653.3) o EQ70
o TS585 (862.2) o EQ133
o TS586 (628.6) o DDC146
o TS587 (629.9) o DDC147
o TS588 (636.9) o DDC148
o TS589 (648.0) o DDC149
o TS590 (654.2) o DDC150
o TS591 (846.0) o DDC151
o TS592 (852.4) o DDC152
o UDC84 o
o UDC85 o
o UDC86 o
[ EQ71 ] C1 ENERGY= 495.4 kJ/mol ( -244.9426208 Hartree)
Energy+ZPE= 484.5 kJ/mol ZPE= 0.0473449
CONNECTIONS:
o TS266 (733.0) o EQ26
o TS340 (730.5) o EQ36
o TS526 (682.3) o EQ57
o TS593 (498.3) o EQ71
o TS594 (533.7) o EQ71
o TS595 (532.2) o EQ77
o TS596 (545.6) o EQ77
o TS597 (636.5) o EQ77
o TS598 (778.5) o EQ77
o TS599 (676.0) o EQ88
o TS600 (833.5) o EQ113
o TS601 (788.5) o EQ121
o TS602 (625.6) o DDC153
o TS603 (707.1) o DDC154
o TS604 (734.8) o DDC155
o UDC87 o
o UDC88 o
[ EQ72 ] C1 ENERGY= 495.6 kJ/mol ( -244.9425154 Hartree)
Energy+ZPE= 477.2 kJ/mol ZPE= 0.0444968
CONNECTIONS:
o TS605 (500.5) o EQ72
o TS606 (501.6) o EQ74
o TS607 (502.3) o EQ74
o TS608 (709.4) o EQ115
[ EQ73 ] C1 ENERGY= 496.9 kJ/mol ( -244.9420145 Hartree)
Energy+ZPE= 488.9 kJ/mol ZPE= 0.0484253
CONNECTIONS:
o TS44 (583.1) o EQ5
o TS175 (497.2) o EQ15
o TS176 (552.2) o EQ15
o TS288 (551.9) o EQ28
o TS609 (557.5) o EQ73
o TS610 (531.2) o EQ78
o TS611 (555.4) o EQ78
o TS612 (601.7) o DDC156
[ EQ74 ] C1 ENERGY= 499.8 kJ/mol ( -244.9409253 Hartree)
Energy+ZPE= 481.8 kJ/mol ZPE= 0.0446143
CONNECTIONS:
o TS374 (697.2) o EQ39
o TS606 (501.6) o EQ72
o TS607 (502.3) o EQ72
o TS613 (654.4) o EQ111
o TS614 (704.1) o EQ111
o TS615 (629.8) o DDC157
o UDC89 o
[ EQ75 ] C1 ENERGY= 502.0 kJ/mol ( -244.9400718 Hartree)
Energy+ZPE= 482.1 kJ/mol ZPE= 0.0439089
CONNECTIONS:
o TS375 (712.9) o EQ39
o TS406 (680.1) o EQ43
o TS407 (688.4) o EQ43
o TS616 (505.2) o EQ75
o TS617 (677.1) o EQ91
o TS618 (677.4) o EQ91
o TS619 (512.7) o DDC158
[ EQ76 ] Cs ENERGY= 503.6 kJ/mol ( -244.9394704 Hartree)
Energy+ZPE= 492.0 kJ/mol ZPE= 0.0470600
CONNECTIONS:
o TS295 (530.5) o EQ29
o TS360 (1042.6) o EQ38
o TS566 (565.5) o EQ65
o TS570 (532.2) o EQ66
o TS581 (509.4) o EQ68
o TS620 (858.4) o EQ126
o TS621 (1057.7) o EQ154
o TS622 (667.1) o DDC159
o TS623 (831.9) o DDC160
o UDC90 o
[ EQ77 ] C1 ENERGY= 506.1 kJ/mol ( -244.9385274 Hartree)
Energy+ZPE= 495.0 kJ/mol ZPE= 0.0472452
CONNECTIONS:
o TS595 (532.2) o EQ71
o TS596 (545.6) o EQ71
o TS597 (636.5) o EQ71
o TS598 (778.5) o EQ71
o TS624 (511.9) o EQ77
o TS625 (516.4) o EQ77
o TS626 (842.1) o EQ116
o TS627 (886.0) o EQ117
o TS628 (754.0) o EQ121
o TS629 (709.1) o DDC161
o TS630 (767.4) o DDC162
o TS631 (942.5) o DDC163
o UDC91 o
o UDC92 o
o UDC93 o
[ EQ78 ] C1 ENERGY= 510.4 kJ/mol ( -244.9369005 Hartree)
Energy+ZPE= 502.2 kJ/mol ZPE= 0.0483570
CONNECTIONS:
o TS45 (589.3) o EQ5
o TS177 (568.6) o EQ15
o TS187 (535.8) o EQ16
o TS211 (513.0) o EQ18
o TS212 (572.5) o EQ18
o TS296 (560.3) o EQ29
o TS442 (775.6) o EQ46
o TS610 (531.2) o EQ73
o TS611 (555.4) o EQ73
o TS632 (615.3) o DDC164
o UDC94 o
[ EQ79 ] C1 ENERGY= 520.8 kJ/mol ( -244.9329448 Hartree)
Energy+ZPE= 510.8 kJ/mol ZPE= 0.0476801
CONNECTIONS:
o TS633 (1004.3) o EQ121
o TS634 (524.6) o DDC165
o TS635 (543.7) o DDC166
o UDC95 o
[ EQ80 ] Cs ENERGY= 527.8 kJ/mol ( -244.9302760 Hartree)
Energy+ZPE= 514.4 kJ/mol ZPE= 0.0463926
CONNECTIONS:
o TS275 (562.0) o EQ27
o TS636 (531.4) o EQ80
o TS637 (981.0) o EQ141
o TS638 (1040.8) o EQ141
o TS639 (542.7) o DDC167
o UDC96 o
[ EQ81 ] C1 ENERGY= 533.1 kJ/mol ( -244.9282296 Hartree)
Energy+ZPE= 514.0 kJ/mol ZPE= 0.0442019
CONNECTIONS:
o TS55 (549.7) o EQ7
o TS500 (541.6) o EQ53
o TS640 (641.7) o DDC168
[ EQ82 ] Cs ENERGY= 555.8 kJ/mol ( -244.9196139 Hartree)
Energy+ZPE= 545.5 kJ/mol ZPE= 0.0475678
CONNECTIONS:
o TS254 (588.7) o EQ25
o TS534 (793.5) o EQ59
o TS641 (764.6) o EQ82
o TS642 (665.1) o EQ86
o TS643 (949.1) o EQ142
o TS644 (600.2) o DDC169
o TS645 (725.7) o DDC170
o TS646 (739.4) o DDC171
o TS647 (740.3) o DDC172
o TS648 (787.4) o DDC173
o TS649 (803.8) o DDC174
o UDC97 o
[ EQ83 ] C1 ENERGY= 557.3 kJ/mol ( -244.9190387 Hartree)
Energy+ZPE= 538.1 kJ/mol ZPE= 0.0441648
CONNECTIONS:
o TS267 (557.3) o EQ26
o UDC98 o
o UDC99 o
[ EQ84 ] C1 ENERGY= 574.4 kJ/mol ( -244.9125240 Hartree)
Energy+ZPE= 559.9 kJ/mol ZPE= 0.0459812
CONNECTIONS:
o TS305 (575.8) o EQ30
o TS334 (640.8) o EQ35
o TS650 (578.3) o DDC175
o TS651 (624.9) o DDC176
[ EQ85 ] C1 ENERGY= 580.3 kJ/mol ( -244.9102518 Hartree)
Energy+ZPE= 578.4 kJ/mol ZPE= 0.0507539
CONNECTIONS:
o TS652 (674.3) o EQ85
o TS653 (743.3) o EQ107
o TS654 (761.7) o EQ114
o TS655 (774.0) o EQ118
o TS656 (859.5) o EQ118
o TS657 (761.2) o EQ120
o TS658 (788.2) o EQ125
o TS659 (658.4) o DDC177
o TS660 (678.7) o DDC178
o TS661 (717.7) o DDC179
o TS662 (773.5) o DDC180
o TS663 (946.0) o DDC181
o UDC100 o
o UDC101 o
o UDC102 o
[ EQ86 ] C1 ENERGY= 583.4 kJ/mol ( -244.9090903 Hartree)
Energy+ZPE= 569.3 kJ/mol ZPE= 0.0461181
CONNECTIONS:
o TS535 (630.8) o EQ59
o TS642 (665.1) o EQ82
o TS664 (585.0) o EQ86
o TS665 (594.7) o EQ86
o TS666 (764.0) o EQ86
o TS667 (770.6) o EQ86
o TS668 (604.8) o DDC182
[ EQ87 ] C1 ENERGY= 583.6 kJ/mol ( -244.9090198 Hartree)
Energy+ZPE= 572.6 kJ/mol ZPE= 0.0473140
CONNECTIONS:
o TS196 (750.6) o EQ17
o TS213 (761.0) o EQ18
o TS235 (772.5) o EQ21
o TS335 (754.4) o EQ35
o TS430 (683.8) o EQ45
o TS669 (584.8) o EQ87
o TS670 (816.3) o EQ87
o TS671 (594.7) o EQ89
o TS672 (598.9) o EQ92
o TS673 (615.1) o EQ94
o TS674 (795.3) o EQ124
o TS675 (661.1) o DDC183
o UDC103 o
[ EQ88 ] Cs ENERGY= 589.8 kJ/mol ( -244.9066332 Hartree)
Energy+ZPE= 581.2 kJ/mol ZPE= 0.0482159
CONNECTIONS:
o TS599 (676.0) o EQ71
o TS676 (604.6) o EQ88
o TS677 (828.6) o EQ101
o TS678 (856.4) o EQ101
o TS679 (789.7) o EQ106
o TS680 (815.8) o EQ107
o TS681 (834.3) o DDC184
o TS682 (950.7) o DDC185
[ EQ89 ] Cs ENERGY= 593.0 kJ/mol ( -244.9054115 Hartree)
Energy+ZPE= 582.4 kJ/mol ZPE= 0.0474448
CONNECTIONS:
o TS527 (702.7) o EQ57
o TS671 (594.7) o EQ87
o TS683 (672.4) o EQ89
o TS684 (608.2) o EQ94
o UDC104 o
[ EQ90 ] C1 ENERGY= 593.5 kJ/mol ( -244.9052382 Hartree)
Energy+ZPE= 582.8 kJ/mol ZPE= 0.0473957
CONNECTIONS:
o TS361 (624.7) o EQ38
o TS685 (616.3) o EQ90
o TS686 (631.4) o EQ98
o TS687 (625.3) o EQ99
o TS688 (713.0) o EQ110
o TS689 (595.8) o DDC186
o UDC105 o
[ EQ91 ] C1 ENERGY= 596.3 kJ/mol ( -244.9041786 Hartree)
Energy+ZPE= 588.8 kJ/mol ZPE= 0.0486370
CONNECTIONS:
o TS120 (1364.3) o EQ11
o TS350 (620.4) o EQ37
o TS408 (634.7) o EQ43
o TS617 (677.1) o EQ75
o TS618 (677.4) o EQ75
o TS690 (618.8) o EQ91
o TS691 (622.0) o EQ102
o TS692 (655.0) o EQ110
o UDC106 o
[ EQ92 ] C1 ENERGY= 598.3 kJ/mol ( -244.9034216 Hartree)
Energy+ZPE= 585.8 kJ/mol ZPE= 0.0467180
CONNECTIONS:
o TS161 (792.2) o EQ13
o TS178 (773.8) o EQ15
o TS672 (598.9) o EQ87
o TS693 (605.5) o EQ94
o TS694 (754.6) o EQ124
o TS695 (760.3) o DDC187
[ EQ93 ] C1 ENERGY= 601.2 kJ/mol ( -244.9023122 Hartree)
Energy+ZPE= 580.8 kJ/mol ZPE= 0.0437041
CONNECTIONS:
o TS268 (601.9) o EQ26
o TS336 (615.0) o EQ35
o TS696 (614.8) o DDC188
o TS697 (619.1) o DDC189
o TS698 (620.2) o DDC190
[ EQ94 ] C1 ENERGY= 602.8 kJ/mol ( -244.9017047 Hartree)
Energy+ZPE= 590.1 kJ/mol ZPE= 0.0466374
CONNECTIONS:
o TS188 (801.0) o EQ16
o TS221 (801.8) o EQ19
o TS222 (802.0) o EQ19
o TS673 (615.1) o EQ87
o TS684 (608.2) o EQ89
o TS693 (605.5) o EQ92
o TS699 (604.9) o EQ94
o TS700 (765.7) o EQ127
o TS701 (633.7) o DDC191
o TS702 (864.2) o DDC192
o UDC107 o
[ EQ95 ] Cs ENERGY= 611.6 kJ/mol ( -244.8983287 Hartree)
Energy+ZPE= 594.1 kJ/mol ZPE= 0.0448366
CONNECTIONS:
o TS121 (620.9) o EQ11
o TS703 (632.3) o DDC193
[ EQ96 ] Cs ENERGY= 612.3 kJ/mol ( -244.8980936 Hartree)
Energy+ZPE= 604.0 kJ/mol ZPE= 0.0483429
CONNECTIONS:
o TS316 (638.4) o EQ31
o TS443 (688.1) o EQ46
o TS470 (626.8) o EQ49
o TS493 (747.3) o EQ52
o TS704 (703.4) o DDC194
o TS705 (745.7) o DDC195
[ EQ97 ] C1 ENERGY= 615.5 kJ/mol ( -244.8968687 Hartree)
Energy+ZPE= 597.7 kJ/mol ZPE= 0.0447164
CONNECTIONS:
o TS228 (629.7) o EQ20
o TS326 (627.9) o EQ33
o TS387 (624.5) o EQ40
o TS706 (627.3) o EQ97
[ EQ98 ] C1 ENERGY= 616.8 kJ/mol ( -244.8963636 Hartree)
Energy+ZPE= 607.6 kJ/mol ZPE= 0.0479996
CONNECTIONS:
o TS39 (778.2) o EQ4
o TS376 (629.2) o EQ39
o TS377 (641.1) o EQ39
o TS686 (631.4) o EQ90
o TS707 (633.8) o EQ98
o TS708 (623.3) o EQ99
[ EQ99 ] C1 ENERGY= 617.7 kJ/mol ( -244.8960216 Hartree)
Energy+ZPE= 608.4 kJ/mol ZPE= 0.0479453
CONNECTIONS:
o TS378 (630.9) o EQ39
o TS379 (637.4) o EQ39
o TS687 (625.3) o EQ90
o TS708 (623.3) o EQ98
o UDC108 o
[ EQ100 ] C1 ENERGY= 619.2 kJ/mol ( -244.8954369 Hartree)
Energy+ZPE= 603.9 kJ/mol ZPE= 0.0456458
CONNECTIONS:
o TS709 (662.3) o EQ109
o TS710 (742.5) o EQ109
o TS711 (790.5) o EQ119
o TS712 (784.7) o EQ122
o TS713 (623.3) o DDC196
o TS714 (624.9) o DDC197
o TS715 (633.0) o DDC198
o TS716 (904.2) o DDC199
o TS717 (908.9) o DDC200
[ EQ101 ] Cs ENERGY= 619.6 kJ/mol ( -244.8952993 Hartree)
Energy+ZPE= 610.0 kJ/mol ZPE= 0.0478317
CONNECTIONS:
o TS241 (948.3) o EQ23
o TS677 (828.6) o EQ88
o TS678 (856.4) o EQ88
o TS718 (625.2) o EQ101
o TS719 (767.0) o EQ106
o TS720 (1096.3) o EQ107
o TS721 (880.6) o EQ114
o TS722 (1049.0) o EQ141
o TS723 (914.0) o DDC201
o TS724 (1009.7) o DDC202
o UDC109 o
o UDC110 o
[ EQ102 ] C1 ENERGY= 621.7 kJ/mol ( -244.8944861 Hartree)
Energy+ZPE= 612.8 kJ/mol ZPE= 0.0480983
CONNECTIONS:
o TS409 (643.0) o EQ43
o TS410 (647.9) o EQ43
o TS691 (622.0) o EQ91
o TS725 (648.5) o EQ110
o UDC111 o
[ EQ103 ] Cs ENERGY= 628.0 kJ/mol ( -244.8920873 Hartree)
Energy+ZPE= 610.3 kJ/mol ZPE= 0.0447479
CONNECTIONS:
o TS726 (724.3) o EQ120
o TS727 (652.6) o DDC203
o TS728 (706.0) o DDC204
[ EQ104 ] C1 ENERGY= 628.7 kJ/mol ( -244.8918326 Hartree)
Energy+ZPE= 610.3 kJ/mol ZPE= 0.0444931
CONNECTIONS:
o TS362 (628.7) o EQ38
o TS729 (639.6) o EQ104
o TS730 (713.4) o EQ117
o TS731 (653.2) o DDC205
o TS732 (666.1) o DDC206
o TS733 (817.8) o DDC207
[ EQ105 ] C1 ENERGY= 633.1 kJ/mol ( -244.8901675 Hartree)
Energy+ZPE= 622.0 kJ/mol ZPE= 0.0472417
CONNECTIONS:
o TS734 (832.6) o EQ119
o TS735 (1122.7) o EQ146
o TS736 (1056.6) o EQ151
o TS737 (642.8) o DDC208
o TS738 (648.3) o DDC209
o TS739 (653.6) o DDC210
o TS740 (680.1) o DDC211
o TS741 (737.3) o DDC212
o TS742 (801.3) o DDC213
o TS743 (914.5) o DDC214
[ EQ106 ] Cs ENERGY= 634.5 kJ/mol ( -244.8896099 Hartree)
Energy+ZPE= 625.4 kJ/mol ZPE= 0.0480297
CONNECTIONS:
o TS679 (789.7) o EQ88
o TS719 (767.0) o EQ101
o TS744 (648.8) o EQ106
o TS745 (866.2) o EQ106
o TS746 (987.5) o EQ138
o TS747 (1019.6) o EQ138
o TS748 (1045.2) o DDC215
o TS749 (1091.5) o DDC216
o TS1000 (744.9) o xx
o UDC112 o
o UDC113 o
[ EQ107 ] Cs ENERGY= 635.4 kJ/mol ( -244.8892913 Hartree)
Energy+ZPE= 625.9 kJ/mol ZPE= 0.0478665
CONNECTIONS:
o TS653 (743.3) o EQ85
o TS680 (815.8) o EQ88
o TS720 (1096.3) o EQ101
o TS750 (742.3) o EQ114
o TS751 (680.0) o EQ117
o TS752 (651.3) o DDC217
o UDC114 o
[ EQ108 ] Cs ENERGY= 638.3 kJ/mol ( -244.8881629 Hartree)
Energy+ZPE= 621.5 kJ/mol ZPE= 0.0451063
CONNECTIONS:
o TS306 (704.1) o EQ30
o TS753 (641.1) o DDC218
o TS754 (659.2) o DDC219
o TS755 (741.4) o DDC220
[ EQ109 ] C1 ENERGY= 641.9 kJ/mol ( -244.8868201 Hartree)
Energy+ZPE= 624.9 kJ/mol ZPE= 0.0450142
CONNECTIONS:
o TS709 (662.3) o EQ100
o TS710 (742.5) o EQ100
o TS756 (642.2) o DDC221
o TS757 (650.6) o DDC222
o TS758 (660.1) o DDC223
[ EQ110 ] C1 ENERGY= 645.4 kJ/mol ( -244.8854570 Hartree)
Energy+ZPE= 635.6 kJ/mol ZPE= 0.0477547
CONNECTIONS:
o TS688 (713.0) o EQ90
o TS692 (655.0) o EQ91
o TS725 (648.5) o EQ102
o TS759 (656.0) o EQ110
o TS760 (724.9) o EQ117
o TS761 (790.6) o EQ125
o UDC115 o
o UDC116 o
o UDC117 o
[ EQ111 ] C1 ENERGY= 652.5 kJ/mol ( -244.8827579 Hartree)
Energy+ZPE= 632.3 kJ/mol ZPE= 0.0437944
CONNECTIONS:
o TS613 (654.4) o EQ74
o TS614 (704.1) o EQ74
o TS762 (660.9) o EQ111
o TS763 (668.3) o EQ115
o TS764 (704.5) o EQ115
o UDC118 o
o UDC119 o
[ EQ112 ] C1 ENERGY= 662.0 kJ/mol ( -244.8791412 Hartree)
Energy+ZPE= 649.5 kJ/mol ZPE= 0.0467442
CONNECTIONS:
o TS507 (707.1) o EQ54
o TS559 (720.5) o EQ64
o TS765 (670.7) o EQ112
o TS766 (820.2) o EQ112
o TS767 (662.1) o DDC224
[ EQ113 ] C1 ENERGY= 665.1 kJ/mol ( -244.8779613 Hartree)
Energy+ZPE= 651.3 kJ/mol ZPE= 0.0462212
CONNECTIONS:
o TS229 (864.5) o EQ20
o TS444 (889.8) o EQ46
o TS600 (833.5) o EQ71
o TS768 (687.4) o EQ113
o TS769 (703.0) o EQ113
o TS770 (683.0) o EQ116
o TS771 (685.0) o EQ116
o TS772 (728.6) o EQ117
o TS773 (952.7) o EQ117
o TS774 (721.9) o DDC225
o TS775 (723.4) o DDC226
o TS776 (896.0) o DDC227
[ EQ114 ] Cs ENERGY= 666.1 kJ/mol ( -244.8775816 Hartree)
Energy+ZPE= 654.6 kJ/mol ZPE= 0.0471192
CONNECTIONS:
o TS654 (761.7) o EQ85
o TS721 (880.6) o EQ101
o TS750 (742.3) o EQ107
o TS777 (824.2) o EQ114
o TS778 (689.0) o DDC228
o TS1001 (683.5) o xx
[ EQ115 ] Cs ENERGY= 667.8 kJ/mol ( -244.8769582 Hartree)
Energy+ZPE= 649.3 kJ/mol ZPE= 0.0444513
CONNECTIONS:
o TS608 (709.4) o EQ72
o TS763 (668.3) o EQ111
o TS764 (704.5) o EQ111
o TS779 (745.4) o DDC229
o UDC120 o
[ EQ116 ] C1 ENERGY= 668.1 kJ/mol ( -244.8768286 Hartree)
Energy+ZPE= 653.5 kJ/mol ZPE= 0.0459363
CONNECTIONS:
o TS363 (696.0) o EQ38
o TS626 (842.1) o EQ77
o TS770 (683.0) o EQ113
o TS771 (685.0) o EQ113
o TS780 (686.8) o EQ116
o TS781 (935.3) o EQ117
o TS782 (892.1) o EQ136
o TS783 (737.3) o DDC230
o TS784 (746.6) o DDC231
[ EQ117 ] Cs ENERGY= 669.4 kJ/mol ( -244.8763135 Hartree)
Energy+ZPE= 656.2 kJ/mol ZPE= 0.0464500
CONNECTIONS:
o TS230 (845.5) o EQ20
o TS231 (874.3) o EQ20
o TS317 (855.0) o EQ31
o TS411 (782.1) o EQ43
o TS627 (886.0) o EQ77
o TS730 (713.4) o EQ104
o TS751 (680.0) o EQ107
o TS760 (724.9) o EQ110
o TS772 (728.6) o EQ113
o TS773 (952.7) o EQ113
o TS781 (935.3) o EQ116
o TS785 (718.1) o EQ117
o TS786 (902.5) o EQ136
o TS787 (896.7) o EQ140
o TS788 (730.6) o DDC232
[ EQ118 ] C1 ENERGY= 703.3 kJ/mol ( -244.8634057 Hartree)
Energy+ZPE= 692.0 kJ/mol ZPE= 0.0471937
CONNECTIONS:
o TS655 (774.0) o EQ85
o TS656 (859.5) o EQ85
o TS789 (824.9) o EQ121
o TS790 (896.8) o EQ136
o TS791 (1024.1) o EQ143
o TS792 (1027.8) o EQ150
o TS793 (703.4) o DDC233
o TS794 (1054.3) o DDC234
o TS795 (1092.7) o DDC235
[ EQ119 ] C1 ENERGY= 704.4 kJ/mol ( -244.8630179 Hartree)
Energy+ZPE= 696.8 kJ/mol ZPE= 0.0486026
CONNECTIONS:
o TS122 (811.8) o EQ11
o TS143 (744.9) o EQ12
o TS144 (784.4) o EQ12
o TS307 (822.0) o EQ30
o TS308 (863.0) o EQ30
o TS309 (877.3) o EQ30
o TS310 (886.8) o EQ30
o TS322 (973.7) o EQ32
o TS711 (790.5) o EQ100
o TS734 (832.6) o EQ105
o TS796 (761.9) o EQ119
o TS797 (763.3) o DDC236
o TS798 (786.8) o DDC237
o TS799 (815.8) o DDC238
o TS800 (875.0) o DDC239
o UDC121 o
[ EQ120 ] Cs ENERGY= 706.3 kJ/mol ( -244.8622854 Hartree)
Energy+ZPE= 690.2 kJ/mol ZPE= 0.0453490
CONNECTIONS:
o TS351 (763.2) o EQ37
o TS512 (734.1) o EQ55
o TS657 (761.2) o EQ85
o TS726 (724.3) o EQ103
o TS801 (856.9) o DDC240
[ EQ121 ] C1 ENERGY= 720.9 kJ/mol ( -244.8567207 Hartree)
Energy+ZPE= 706.6 kJ/mol ZPE= 0.0460567
CONNECTIONS:
o TS352 (823.4) o EQ37
o TS412 (839.0) o EQ43
o TS536 (755.8) o EQ59
o TS537 (763.3) o EQ59
o TS601 (788.5) o EQ71
o TS628 (754.0) o EQ77
o TS633 (1004.3) o EQ79
o TS789 (824.9) o EQ118
o TS802 (750.2) o EQ121
o TS803 (1040.8) o EQ136
o TS804 (753.2) o DDC241
o TS1002 (755.5) o xx
o UDC122 o
[ EQ122 ] C1 ENERGY= 724.2 kJ/mol ( -244.8554415 Hartree)
Energy+ZPE= 715.0 kJ/mol ZPE= 0.0479778
CONNECTIONS:
o TS123 (800.2) o EQ11
o TS124 (804.4) o EQ11
o TS311 (806.4) o EQ30
o TS312 (826.7) o EQ30
o TS431 (873.8) o EQ45
o TS712 (784.7) o EQ100
o TS805 (790.9) o DDC242
o TS806 (808.3) o DDC243
o TS807 (820.1) o DDC244
o TS808 (885.8) o DDC245
[ EQ123 ] Cs ENERGY= 727.6 kJ/mol ( -244.8541749 Hartree)
Energy+ZPE= 714.2 kJ/mol ZPE= 0.0463685
CONNECTIONS:
o TS445 (768.0) o EQ46
o TS462 (742.1) o EQ48
o TS471 (765.0) o EQ49
o TS472 (770.1) o EQ49
o TS809 (785.5) o DDC246
o TS810 (818.3) o DDC247
o TS811 (888.7) o DDC248
o UDC123 o
[ EQ124 ] C1 ENERGY= 734.5 kJ/mol ( -244.8515257 Hartree)
Energy+ZPE= 722.8 kJ/mol ZPE= 0.0470280
CONNECTIONS:
o TS162 (737.2) o EQ13
o TS179 (740.7) o EQ15
o TS337 (770.4) o EQ35
o TS538 (771.8) o EQ59
o TS674 (795.3) o EQ87
o TS694 (754.6) o EQ92
[ EQ125 ] Cs ENERGY= 735.1 kJ/mol ( -244.8513091 Hartree)
Energy+ZPE= 718.4 kJ/mol ZPE= 0.0451362
CONNECTIONS:
o TS513 (777.7) o EQ55
o TS658 (788.2) o EQ85
o TS761 (790.6) o EQ110
o TS812 (747.2) o DDC249
o TS813 (888.2) o DDC250
[ EQ126 ] Cs ENERGY= 744.5 kJ/mol ( -244.8477212 Hartree)
Energy+ZPE= 728.5 kJ/mol ZPE= 0.0453965
CONNECTIONS:
o TS446 (749.6) o EQ46
o TS491 (783.4) o EQ51
o TS620 (858.4) o EQ76
o TS814 (808.6) o EQ129
o TS815 (867.2) o DDC251
o UDC124 o
[ EQ127 ] C1 ENERGY= 747.7 kJ/mol ( -244.8465120 Hartree)
Energy+ZPE= 735.0 kJ/mol ZPE= 0.0466649
CONNECTIONS:
o TS163 (748.6) o EQ13
o TS197 (790.8) o EQ17
o TS198 (795.0) o EQ17
o TS214 (749.3) o EQ18
o TS700 (765.7) o EQ94
[ EQ128 ] C1 ENERGY= 759.5 kJ/mol ( -244.8420257 Hartree)
Energy+ZPE= 746.0 kJ/mol ZPE= 0.0463335
CONNECTIONS:
o TS560 (760.9) o EQ64
o TS561 (773.5) o EQ64
o TS562 (782.1) o EQ64
o TS816 (759.7) o EQ128
o TS817 (835.9) o EQ128
o TS1003 (902.9) o xx
o UDC125 o
[ EQ129 ] Cs ENERGY= 776.6 kJ/mol ( -244.8355103 Hartree)
Energy+ZPE= 756.4 kJ/mol ZPE= 0.0437917
CONNECTIONS:
o TS457 (780.3) o EQ47
o TS483 (798.2) o EQ50
o TS814 (808.6) o EQ126
o UDC126 o
[ EQ130 ] C1 ENERGY= 781.4 kJ/mol ( -244.8336801 Hartree)
Energy+ZPE= 761.6 kJ/mol ZPE= 0.0439448
CONNECTIONS:
o TS818 (783.7) o DDC252
o TS819 (790.1) o DDC253
[ EQ131 ] Cs ENERGY= 795.2 kJ/mol ( -244.8284344 Hartree)
Energy+ZPE= 775.0 kJ/mol ZPE= 0.0437769
CONNECTIONS:
o TS820 (796.9) o DDC254
[ EQ132 ] Cs ENERGY= 814.6 kJ/mol ( -244.8210333 Hartree)
Energy+ZPE= 789.6 kJ/mol ZPE= 0.0419481
CONNECTIONS:
o TS821 (815.0) o DDC255
[ EQ133 ] Cs ENERGY= 822.5 kJ/mol ( -244.8180121 Hartree)
Energy+ZPE= 816.2 kJ/mol ZPE= 0.0490924
CONNECTIONS:
o TS73 (844.2) o EQ9
o TS585 (862.2) o EQ70
o TS822 (830.9) o EQ134
[ EQ134 ] Cs ENERGY= 824.5 kJ/mol ( -244.8172468 Hartree)
Energy+ZPE= 817.0 kJ/mol ZPE= 0.0486209
CONNECTIONS:
o TS74 (851.3) o EQ9
o TS822 (830.9) o EQ133
o TS823 (848.8) o DDC256
o TS824 (916.8) o DDC257
[ EQ135 ] C1 ENERGY= 858.8 kJ/mol ( -244.8041952 Hartree)
Energy+ZPE= 845.7 kJ/mol ZPE= 0.0464911
CONNECTIONS:
o TS75 (859.5) o EQ9
o TS395 (982.6) o EQ41
o TS514 (1066.1) o EQ55
o TS825 (988.5) o EQ135
o TS826 (889.4) o EQ139
o TS827 (905.6) o EQ139
o TS828 (1021.4) o EQ145
o TS829 (865.4) o DDC258
[ EQ136 ] C1 ENERGY= 874.7 kJ/mol ( -244.7981364 Hartree)
Energy+ZPE= 862.0 kJ/mol ZPE= 0.0466440
CONNECTIONS:
o TS364 (878.0) o EQ38
o TS782 (892.1) o EQ116
o TS786 (902.5) o EQ117
o TS790 (896.8) o EQ118
o TS803 (1040.8) o EQ121
[ EQ137 ] Cs ENERGY= 875.9 kJ/mol ( -244.7976723 Hartree)
Energy+ZPE= 853.6 kJ/mol ZPE= 0.0430028
CONNECTIONS:
o TS830 (878.3) o DDC259
o TS831 (902.7) o DDC260
o TS832 (906.9) o DDC261
o TS833 (943.7) o DDC262
o TS834 (1044.6) o DDC263
[ EQ138 ] C1 ENERGY= 879.8 kJ/mol ( -244.7961969 Hartree)
Energy+ZPE= 868.0 kJ/mol ZPE= 0.0469759
CONNECTIONS:
o TS255 (894.5) o EQ25
o TS256 (907.9) o EQ25
o TS746 (987.5) o EQ106
o TS747 (1019.6) o EQ106
o TS835 (890.3) o EQ138
o TS836 (991.3) o EQ138
o TS837 (1031.6) o EQ141
o TS838 (907.6) o DDC264
o UDC127 o
[ EQ139 ] C1 ENERGY= 882.6 kJ/mol ( -244.7951164 Hartree)
Energy+ZPE= 869.5 kJ/mol ZPE= 0.0464857
CONNECTIONS:
o TS76 (885.3) o EQ9
o TS396 (987.9) o EQ41
o TS515 (1095.6) o EQ55
o TS826 (889.4) o EQ135
o TS827 (905.6) o EQ135
o TS839 (900.6) o DDC265
[ EQ140 ] C1 ENERGY= 885.0 kJ/mol ( -244.7942143 Hartree)
Energy+ZPE= 871.1 kJ/mol ZPE= 0.0462025
CONNECTIONS:
o TS365 (932.9) o EQ38
o TS413 (895.1) o EQ43
o TS414 (914.7) o EQ43
o TS516 (1034.2) o EQ55
o TS787 (896.7) o EQ117
o TS840 (921.8) o EQ140
o TS841 (1069.4) o EQ155
o TS842 (917.4) o DDC266
[ EQ141 ] Cs ENERGY= 911.3 kJ/mol ( -244.7842072 Hartree)
Energy+ZPE= 899.3 kJ/mol ZPE= 0.0469152
CONNECTIONS:
o TS276 (1121.4) o EQ27
o TS637 (981.0) o EQ80
o TS638 (1040.8) o EQ80
o TS722 (1049.0) o EQ101
o TS837 (1031.6) o EQ138
o TS843 (916.4) o EQ141
o TS844 (1124.8) o EQ156
o TS845 (1047.9) o DDC267
o TS846 (1349.4) o DDC268
o TS847 (1367.8) o DDC269
o UDC128 o
o UDC129 o
[ EQ142 ] C1 ENERGY= 918.7 kJ/mol ( -244.7813919 Hartree)
Energy+ZPE= 899.8 kJ/mol ZPE= 0.0442871
CONNECTIONS:
o TS643 (949.1) o EQ82
o TS848 (919.6) o EQ142
o TS849 (1017.0) o EQ142
o TS850 (1018.4) o EQ142
o TS851 (1109.2) o EQ143
o TS852 (961.6) o DDC270
o TS853 (964.5) o DDC271
o TS854 (1012.8) o DDC272
[ EQ143 ] Cs ENERGY= 945.1 kJ/mol ( -244.7713407 Hartree)
Energy+ZPE= 931.0 kJ/mol ZPE= 0.0461112
CONNECTIONS:
o TS791 (1024.1) o EQ118
o TS851 (1109.2) o EQ142
o TS855 (1103.3) o EQ143
o TS856 (1109.9) o EQ146
o TS857 (1024.1) o EQ150
o TS858 (1121.9) o EQ154
o TS859 (1020.2) o DDC273
o TS860 (1042.7) o DDC274
o TS861 (1076.2) o DDC275
o TS862 (1080.5) o DDC276
o TS863 (1100.9) o DDC277
[ EQ144 ] Cs ENERGY= 962.0 kJ/mol ( -244.7648973 Hartree)
Energy+ZPE= 949.9 kJ/mol ZPE= 0.0468647
CONNECTIONS:
o TS864 (1035.9) o EQ148
o TS865 (1144.7) o EQ153
o TS866 (979.6) o DDC278
o UDC130 o
o UDC131 o
[ EQ145 ] Cs ENERGY= 973.0 kJ/mol ( -244.7606779 Hartree)
Energy+ZPE= 959.7 kJ/mol ZPE= 0.0464343
CONNECTIONS:
o TS828 (1021.4) o EQ135
o TS867 (974.2) o EQ146
o TS868 (1122.9) o EQ147
o TS869 (1079.6) o DDC279
o TS870 (1426.0) o DDC280
[ EQ146 ] C1 ENERGY= 973.2 kJ/mol ( -244.7606015 Hartree)
Energy+ZPE= 960.2 kJ/mol ZPE= 0.0465342
CONNECTIONS:
o TS492 (1137.4) o EQ51
o TS552 (1048.3) o EQ63
o TS553 (1089.1) o EQ63
o TS735 (1122.7) o EQ105
o TS856 (1109.9) o EQ143
o TS867 (974.2) o EQ145
o TS871 (995.3) o EQ146
o TS872 (1028.3) o EQ146
o TS873 (1069.5) o EQ151
o TS874 (1137.3) o DDC281
o UDC132 o
[ EQ147 ] Cs ENERGY= 977.8 kJ/mol ( -244.7588550 Hartree)
Energy+ZPE= 961.7 kJ/mol ZPE= 0.0453531
CONNECTIONS:
o TS517 (1059.1) o EQ55
o TS868 (1122.9) o EQ145
o TS875 (1020.0) o EQ147
o TS876 (1061.6) o EQ147
o TS877 (1037.9) o DDC282
o UDC133 o
[ EQ148 ] C1 ENERGY= 979.9 kJ/mol ( -244.7580758 Hartree)
Energy+ZPE= 967.2 kJ/mol ZPE= 0.0466508
CONNECTIONS:
o TS864 (1035.9) o EQ144
o TS878 (984.3) o EQ149
o TS879 (1064.4) o EQ153
o TS880 (993.8) o DDC283
o TS881 (997.5) o DDC284
o UDC134 o
[ EQ149 ] C1 ENERGY= 984.3 kJ/mol ( -244.7563892 Hartree)
Energy+ZPE= 970.7 kJ/mol ZPE= 0.0463139
CONNECTIONS:
o TS878 (984.3) o EQ148
o TS882 (1069.3) o EQ153
o UDC135 o
[ EQ150 ] Cs ENERGY= 985.5 kJ/mol ( -244.7559479 Hartree)
Energy+ZPE= 969.1 kJ/mol ZPE= 0.0452360
CONNECTIONS:
o TS792 (1027.8) o EQ118
o TS857 (1024.1) o EQ143
o TS883 (1120.4) o EQ150
o TS884 (1149.3) o EQ154
o TS885 (1084.9) o EQ156
o TS886 (1083.2) o DDC285
o TS887 (1121.0) o DDC286
o UDC136 o
[ EQ151 ] C1 ENERGY= 985.8 kJ/mol ( -244.7558182 Hartree)
Energy+ZPE= 964.6 kJ/mol ZPE= 0.0434052
CONNECTIONS:
o TS77 (1024.9) o EQ9
o TS78 (1026.0) o EQ9
o TS736 (1056.6) o EQ105
o TS873 (1069.5) o EQ146
o TS888 (997.6) o EQ152
o TS889 (1004.9) o EQ152
o TS890 (1016.3) o EQ152
o TS891 (998.8) o DDC287
o TS892 (1009.0) o DDC288
o TS893 (1054.0) o DDC289
[ EQ152 ] C1 ENERGY= 994.7 kJ/mol ( -244.7524227 Hartree)
Energy+ZPE= 973.0 kJ/mol ZPE= 0.0432223
CONNECTIONS:
o TS567 (1029.8) o EQ65
o TS888 (997.6) o EQ151
o TS889 (1004.9) o EQ151
o TS890 (1016.3) o EQ151
o TS894 (1004.3) o DDC290
o TS895 (1066.0) o DDC291
o UDC137 o
[ EQ153 ] Cs ENERGY= 1005.5 kJ/mol ( -244.7483123 Hartree)
Energy+ZPE= 989.3 kJ/mol ZPE= 0.0453083
CONNECTIONS:
o TS865 (1144.7) o EQ144
o TS879 (1064.4) o EQ148
o TS882 (1069.3) o EQ149
o TS896 (1018.8) o DDC292
o TS897 (1133.9) o DDC293
[ EQ154 ] C1 ENERGY= 1022.7 kJ/mol ( -244.7417597 Hartree)
Energy+ZPE= 1000.3 kJ/mol ZPE= 0.0429458
CONNECTIONS:
o TS571 (1039.0) o EQ66
o TS621 (1057.7) o EQ76
o TS858 (1121.9) o EQ143
o TS884 (1149.3) o EQ150
o TS898 (1079.8) o EQ154
o TS899 (1025.9) o EQ155
o TS900 (1052.0) o EQ155
o TS901 (1035.5) o DDC294
o UDC138 o
[ EQ155 ] C1 ENERGY= 1025.7 kJ/mol ( -244.7406205 Hartree)
Energy+ZPE= 1001.7 kJ/mol ZPE= 0.0423629
CONNECTIONS:
o TS366 (1076.2) o EQ38
o TS841 (1069.4) o EQ140
o TS899 (1025.9) o EQ154
o TS900 (1052.0) o EQ154
o TS902 (1035.1) o DDC295
[ EQ156 ] Cs ENERGY= 1084.6 kJ/mol ( -244.7181855 Hartree)
Energy+ZPE= 1062.0 kJ/mol ZPE= 0.0428766
CONNECTIONS:
o TS844 (1124.8) o EQ141
o TS885 (1084.9) o EQ150
o TS903 (1109.3) o DDC296
[ TS0 ] Animation Cs ENERGY= 0.3 kJ/mol
Energy+ZPE= -1.4 kJ/mol ZPE= 0.0508229
CONNECTIONS:
o EQ0 o EQ0
INSERT of TS0
[ TS1 ] Animation Cs ENERGY= 62.1 kJ/mol
Energy+ZPE= 60.9 kJ/mol ZPE= 0.0510222
CONNECTIONS:
o EQ0 o EQ0
INSERT of TS1
[ TS2 ] Animation Cs ENERGY= 64.5 kJ/mol
Energy+ZPE= 62.4 kJ/mol ZPE= 0.0506800
CONNECTIONS:
o EQ0 o EQ0
INSERT of TS2
[ TS3 ] Animation Cs ENERGY= 141.9 kJ/mol
Energy+ZPE= 128.6 kJ/mol ZPE= 0.0464138
CONNECTIONS:
o EQ0 o EQ0
[ TS4 ] Animation C1 ENERGY= 46.3 kJ/mol
Energy+ZPE= 42.7 kJ/mol ZPE= 0.0501288
CONNECTIONS:
o EQ0 o EQ1
[ TS5 ] Animation Cs ENERGY= 225.5 kJ/mol
Energy+ZPE= 210.7 kJ/mol ZPE= 0.0458428
CONNECTIONS:
o EQ0 o EQ3
[ TS6 ] Animation C1 ENERGY= 564.1 kJ/mol
Energy+ZPE= 543.6 kJ/mol ZPE= 0.0436693
CONNECTIONS:
o EQ0 o EQ10
[ TS7 ] Animation C1 ENERGY= 567.6 kJ/mol
Energy+ZPE= 549.4 kJ/mol ZPE= 0.0445537
CONNECTIONS:
o EQ0 o EQ24
[ TS8 ] Animation C1 ENERGY= 567.4 kJ/mol
Energy+ZPE= 548.4 kJ/mol ZPE= 0.0442488
CONNECTIONS:
o EQ0 o EQ28
[ TS9 ] Animation C1 ENERGY= 561.0 kJ/mol
Energy+ZPE= 543.7 kJ/mol ZPE= 0.0448962
CONNECTIONS:
o EQ0 o EQ29
[ TS10 ] Animation C1 ENERGY= 577.6 kJ/mol
Energy+ZPE= 560.4 kJ/mol ZPE= 0.0449233
CONNECTIONS:
o EQ0 o EQ32
[ TS11 ] Animation C1 ENERGY= 580.6 kJ/mol
Energy+ZPE= 566.0 kJ/mol ZPE= 0.0459435
CONNECTIONS:
o EQ0 o EQ50
[ TS12 ] Animation C1 ENERGY= 241.6 kJ/mol
Energy+ZPE= 223.5 kJ/mol ZPE= 0.0445838
CONNECTIONS:
o EQ0 o DDC0
[ TS13 ] Animation Cs ENERGY= 35.8 kJ/mol
Energy+ZPE= 32.1 kJ/mol ZPE= 0.0500963
CONNECTIONS:
o EQ1 o EQ1
[ TS14 ] Animation Cs ENERGY= 63.1 kJ/mol
Energy+ZPE= 61.6 kJ/mol ZPE= 0.0509224
CONNECTIONS:
o EQ1 o EQ1
[ TS15 ] Animation Cs ENERGY= 93.7 kJ/mol
Energy+ZPE= 89.8 kJ/mol ZPE= 0.0500176
CONNECTIONS:
o EQ1 o EQ1
[ TS16 ] Animation Cs ENERGY= 242.6 kJ/mol
Energy+ZPE= 226.5 kJ/mol ZPE= 0.0453657
CONNECTIONS:
o EQ1 o EQ4
[ TS17 ] Animation C1 ENERGY= 564.8 kJ/mol
Energy+ZPE= 546.2 kJ/mol ZPE= 0.0443899
CONNECTIONS:
o EQ1 o EQ28
[ TS18 ] Animation C1 ENERGY= 548.1 kJ/mol
Energy+ZPE= 528.1 kJ/mol ZPE= 0.0438788
CONNECTIONS:
o EQ1 o EQ49
[ TS19 ] Animation C1 ENERGY= 578.7 kJ/mol
Energy+ZPE= 565.4 kJ/mol ZPE= 0.0464319
CONNECTIONS:
o EQ1 o EQ51
[ TS20 ] Animation C1 ENERGY= 753.8 kJ/mol
Energy+ZPE= 736.1 kJ/mol ZPE= 0.0447348
CONNECTIONS:
o EQ1 o EQ64
[ TS21 ] Animation Cs ENERGY= 542.3 kJ/mol
Energy+ZPE= 525.3 kJ/mol ZPE= 0.0450279
CONNECTIONS:
o EQ1 o EQ69
[ TS22 ] Animation Cs ENERGY= 177.7 kJ/mol
Energy+ZPE= 164.3 kJ/mol ZPE= 0.0463790
CONNECTIONS:
o EQ1 o DDC1
[ TS23 ] Animation C1 ENERGY= 514.5 kJ/mol
Energy+ZPE= 479.6 kJ/mol ZPE= 0.0381790
CONNECTIONS:
o EQ1 o DDC2
[ TS24 ] Animation C1 ENERGY= 524.6 kJ/mol
Energy+ZPE= 492.5 kJ/mol ZPE= 0.0392439
CONNECTIONS:
o EQ1 o DDC3
[ TS25 ] Animation Cs ENERGY= 257.6 kJ/mol
Energy+ZPE= 235.2 kJ/mol ZPE= 0.0429734
CONNECTIONS:
o EQ2 o EQ2
[ TS26 ] Animation C1 ENERGY= 639.5 kJ/mol
Energy+ZPE= 612.0 kJ/mol ZPE= 0.0410298
CONNECTIONS:
o EQ2 o DDC4
[ TS27 ] Animation C1 ENERGY= 121.9 kJ/mol
Energy+ZPE= 118.2 kJ/mol ZPE= 0.0500641
CONNECTIONS:
o EQ3 o EQ4
[ TS28 ] Animation C1 ENERGY= 189.8 kJ/mol
Energy+ZPE= 182.1 kJ/mol ZPE= 0.0485423
CONNECTIONS:
o EQ3 o EQ5
[ TS29 ] Animation C1 ENERGY= 133.4 kJ/mol
Energy+ZPE= 128.4 kJ/mol ZPE= 0.0495877
CONNECTIONS:
o EQ3 o EQ6
[ TS30 ] Animation C1 ENERGY= 576.1 kJ/mol
Energy+ZPE= 559.8 kJ/mol ZPE= 0.0452730
CONNECTIONS:
o EQ3 o EQ15
[ TS31 ] Animation C1 ENERGY= 627.9 kJ/mol
Energy+ZPE= 613.1 kJ/mol ZPE= 0.0458329
CONNECTIONS:
o EQ3 o EQ47
[ TS32 ] Animation C1 ENERGY= 623.2 kJ/mol
Energy+ZPE= 608.9 kJ/mol ZPE= 0.0460535
CONNECTIONS:
o EQ3 o EQ48
[ TS33 ] Animation C1 ENERGY= 640.7 kJ/mol
Energy+ZPE= 623.0 kJ/mol ZPE= 0.0447612
CONNECTIONS:
o EQ3 o EQ56
[ TS34 ] Animation C1 ENERGY= 285.2 kJ/mol
Energy+ZPE= 267.3 kJ/mol ZPE= 0.0446627
CONNECTIONS:
o EQ3 o DDC5
[ TS35 ] Animation C1 ENERGY= 410.8 kJ/mol
Energy+ZPE= 388.5 kJ/mol ZPE= 0.0429761
CONNECTIONS:
o EQ3 o DDC6
[ TS36 ] Animation Cs ENERGY= 183.6 kJ/mol
Energy+ZPE= 177.5 kJ/mol ZPE= 0.0491599
CONNECTIONS:
o EQ4 o EQ4
[ TS37 ] Animation C1 ENERGY= 141.3 kJ/mol
Energy+ZPE= 136.7 kJ/mol ZPE= 0.0497186
CONNECTIONS:
o EQ4 o EQ5
[ TS38 ] Animation C1 ENERGY= 696.5 kJ/mol
Energy+ZPE= 667.2 kJ/mol ZPE= 0.0403145
CONNECTIONS:
o EQ4 o EQ16
[ TS39 ] Animation C1 ENERGY= 778.2 kJ/mol
Energy+ZPE= 760.4 kJ/mol ZPE= 0.0447043
CONNECTIONS:
o EQ4 o EQ98
[ TS40 ] Animation C1 ENERGY= 137.3 kJ/mol
Energy+ZPE= 132.3 kJ/mol ZPE= 0.0495816
CONNECTIONS:
o EQ5 o EQ6
[ TS41 ] Animation C1 ENERGY= 714.9 kJ/mol
Energy+ZPE= 678.3 kJ/mol ZPE= 0.0375399
CONNECTIONS:
o EQ5 o EQ37
[ TS42 ] Animation C1 ENERGY= 637.1 kJ/mol
Energy+ZPE= 624.1 kJ/mol ZPE= 0.0465191
CONNECTIONS:
o EQ5 o EQ46
[ TS43 ] Animation C1 ENERGY= 696.6 kJ/mol
Energy+ZPE= 678.4 kJ/mol ZPE= 0.0445481
CONNECTIONS:
o EQ5 o EQ47
[ TS44 ] Animation C1 ENERGY= 583.1 kJ/mol
Energy+ZPE= 566.3 kJ/mol ZPE= 0.0450986
CONNECTIONS:
o EQ5 o EQ73
[ TS45 ] Animation C1 ENERGY= 589.3 kJ/mol
Energy+ZPE= 572.9 kJ/mol ZPE= 0.0452415
CONNECTIONS:
o EQ5 o EQ78
[ TS46 ] Animation C1 ENERGY= 285.9 kJ/mol
Energy+ZPE= 266.4 kJ/mol ZPE= 0.0440652
CONNECTIONS:
o EQ5 o DDC7
[ TS47 ] Animation Cs ENERGY= 138.8 kJ/mol
Energy+ZPE= 133.3 kJ/mol ZPE= 0.0493947
CONNECTIONS:
o EQ6 o EQ6
[ TS48 ] Animation C2 ENERGY= 227.6 kJ/mol
Energy+ZPE= 216.6 kJ/mol ZPE= 0.0473115
CONNECTIONS:
o EQ6 o EQ6
[ TS49 ] Animation C1 ENERGY= 616.4 kJ/mol
Energy+ZPE= 603.8 kJ/mol ZPE= 0.0466827
CONNECTIONS:
o EQ6 o EQ46
[ TS50 ] Animation C1 ENERGY= 684.3 kJ/mol
Energy+ZPE= 668.4 kJ/mol ZPE= 0.0454480
CONNECTIONS:
o EQ6 o EQ46
[ TS51 ] Animation C1 ENERGY= 642.2 kJ/mol
Energy+ZPE= 626.8 kJ/mol ZPE= 0.0456030
CONNECTIONS:
o EQ6 o EQ48
[ TS52 ] Animation C1 ENERGY= 408.5 kJ/mol
Energy+ZPE= 385.2 kJ/mol ZPE= 0.0426232
CONNECTIONS:
o EQ6 o DDC8
[ TS53 ] Animation Cs ENERGY= 322.0 kJ/mol
Energy+ZPE= 303.8 kJ/mol ZPE= 0.0445683
CONNECTIONS:
o EQ7 o EQ7
[ TS54 ] Animation Cs ENERGY= 180.1 kJ/mol
Energy+ZPE= 163.9 kJ/mol ZPE= 0.0453321
CONNECTIONS:
o EQ7 o EQ8
[ TS55 ] Animation C1 ENERGY= 549.7 kJ/mol
Energy+ZPE= 526.9 kJ/mol ZPE= 0.0428214
CONNECTIONS:
o EQ7 o EQ81
[ TS56 ] Animation C1 ENERGY= 178.3 kJ/mol
Energy+ZPE= 164.0 kJ/mol ZPE= 0.0460545
CONNECTIONS:
o EQ8 o EQ8
[ TS57 ] Animation C1 ENERGY= 218.8 kJ/mol
Energy+ZPE= 215.8 kJ/mol ZPE= 0.0503525
CONNECTIONS:
o EQ9 o EQ9
[ TS58 ] Animation Cs ENERGY= 228.0 kJ/mol
Energy+ZPE= 224.6 kJ/mol ZPE= 0.0501833
CONNECTIONS:
o EQ9 o EQ9
[ TS59 ] Animation Cs ENERGY= 269.7 kJ/mol
Energy+ZPE= 264.0 kJ/mol ZPE= 0.0492993
CONNECTIONS:
o EQ9 o EQ9
[ TS60 ] Animation Cs ENERGY= 422.4 kJ/mol
Energy+ZPE= 410.3 kJ/mol ZPE= 0.0468946
CONNECTIONS:
o EQ9 o EQ9
[ TS61 ] Animation C1 ENERGY= 275.8 kJ/mol
Energy+ZPE= 270.2 kJ/mol ZPE= 0.0493538
CONNECTIONS:
o EQ9 o EQ10
[ TS62 ] Animation C1 ENERGY= 571.7 kJ/mol
Energy+ZPE= 549.5 kJ/mol ZPE= 0.0430495
CONNECTIONS:
o EQ9 o EQ12
[ TS63 ] Animation C1 ENERGY= 288.6 kJ/mol
Energy+ZPE= 282.7 kJ/mol ZPE= 0.0492460
CONNECTIONS:
o EQ9 o EQ14
[ TS64 ] Animation C1 ENERGY= 511.3 kJ/mol
Energy+ZPE= 499.9 kJ/mol ZPE= 0.0471432
CONNECTIONS:
o EQ9 o EQ24
[ TS65 ] Animation C1 ENERGY= 522.1 kJ/mol
Energy+ZPE= 510.8 kJ/mol ZPE= 0.0471767
CONNECTIONS:
o EQ9 o EQ28
[ TS66 ] Animation C1 ENERGY= 1050.9 kJ/mol
Energy+ZPE= 1026.7 kJ/mol ZPE= 0.0422724
CONNECTIONS:
o EQ9 o EQ38
[ TS67 ] Animation C1 ENERGY= 984.9 kJ/mol
Energy+ZPE= 960.0 kJ/mol ZPE= 0.0419865
CONNECTIONS:
o EQ9 o EQ41
[ TS68 ] Animation C1 ENERGY= 560.6 kJ/mol
Energy+ZPE= 540.3 kJ/mol ZPE= 0.0437739
CONNECTIONS:
o EQ9 o EQ49
[ TS69 ] Animation Cs ENERGY= 554.0 kJ/mol
Energy+ZPE= 540.3 kJ/mol ZPE= 0.0462785
CONNECTIONS:
o EQ9 o EQ62
[ TS70 ] Animation C1 ENERGY= 486.5 kJ/mol
Energy+ZPE= 475.5 kJ/mol ZPE= 0.0472809
CONNECTIONS:
o EQ9 o EQ65
[ TS71 ] Animation C1 ENERGY= 493.0 kJ/mol
Energy+ZPE= 481.3 kJ/mol ZPE= 0.0470354
CONNECTIONS:
o EQ9 o EQ67
[ TS72 ] Animation Cs ENERGY= 548.0 kJ/mol
Energy+ZPE= 534.7 kJ/mol ZPE= 0.0464067
CONNECTIONS:
o EQ9 o EQ68
[ TS73 ] Animation C1 ENERGY= 844.2 kJ/mol
Energy+ZPE= 833.9 kJ/mol ZPE= 0.0475543
CONNECTIONS:
o EQ9 o EQ133
[ TS74 ] Animation C1 ENERGY= 851.3 kJ/mol
Energy+ZPE= 837.4 kJ/mol ZPE= 0.0461830
CONNECTIONS:
o EQ9 o EQ134
[ TS75 ] Animation C1 ENERGY= 859.5 kJ/mol
Energy+ZPE= 843.4 kJ/mol ZPE= 0.0453425
CONNECTIONS:
o EQ9 o EQ135
[ TS76 ] Animation C1 ENERGY= 885.3 kJ/mol
Energy+ZPE= 868.7 kJ/mol ZPE= 0.0451550
CONNECTIONS:
o EQ9 o EQ139
[ TS77 ] Animation C1 ENERGY= 1024.9 kJ/mol
Energy+ZPE= 999.2 kJ/mol ZPE= 0.0417039
CONNECTIONS:
o EQ9 o EQ151
[ TS78 ] Animation C1 ENERGY= 1026.0 kJ/mol
Energy+ZPE= 1000.3 kJ/mol ZPE= 0.0417109
CONNECTIONS:
o EQ9 o EQ151
[ TS79 ] Animation C1 ENERGY= 523.3 kJ/mol
Energy+ZPE= 503.6 kJ/mol ZPE= 0.0439987
CONNECTIONS:
o EQ9 o DDC9
[ TS80 ] Animation C1 ENERGY= 612.8 kJ/mol
Energy+ZPE= 586.7 kJ/mol ZPE= 0.0415371
CONNECTIONS:
o EQ9 o DDC10
[ TS81 ] Animation C1 ENERGY= 635.6 kJ/mol
Energy+ZPE= 599.1 kJ/mol ZPE= 0.0375964
CONNECTIONS:
o EQ9 o DDC11
[ TS82 ] Animation C1 ENERGY= 689.6 kJ/mol
Energy+ZPE= 669.9 kJ/mol ZPE= 0.0439786
CONNECTIONS:
o EQ9 o DDC12
[ TS83 ] Animation Cs ENERGY= 704.1 kJ/mol
Energy+ZPE= 670.7 kJ/mol ZPE= 0.0387702
CONNECTIONS:
o EQ9 o DDC13
[ TS84 ] Animation C1 ENERGY= 869.2 kJ/mol
Energy+ZPE= 851.4 kJ/mol ZPE= 0.0447185
CONNECTIONS:
o EQ9 o DDC14
[ TS85 ] Animation C1 ENERGY= 890.4 kJ/mol
Energy+ZPE= 870.1 kJ/mol ZPE= 0.0437618
CONNECTIONS:
o EQ9 o DDC15
[ TS86 ] Animation C1 ENERGY= 917.7 kJ/mol
Energy+ZPE= 896.4 kJ/mol ZPE= 0.0433698
CONNECTIONS:
o EQ9 o DDC16
[ TS87 ] Animation C1 ENERGY= 558.8 kJ/mol
Energy+ZPE= 537.8 kJ/mol ZPE= 0.0434985
CONNECTIONS:
o EQ10 o EQ12
[ TS88 ] Animation C1 ENERGY= 250.8 kJ/mol
Energy+ZPE= 245.9 kJ/mol ZPE= 0.0496211
CONNECTIONS:
o EQ10 o EQ14
[ TS89 ] Animation Cs ENERGY= 279.6 kJ/mol
Energy+ZPE= 272.4 kJ/mol ZPE= 0.0487506
CONNECTIONS:
o EQ10 o EQ14
[ TS90 ] Animation C1 ENERGY= 517.5 kJ/mol
Energy+ZPE= 499.7 kJ/mol ZPE= 0.0447171
CONNECTIONS:
o EQ10 o EQ24
[ TS91 ] Animation C1 ENERGY= 387.4 kJ/mol
Energy+ZPE= 382.3 kJ/mol ZPE= 0.0495362
CONNECTIONS:
o EQ10 o EQ40
[ TS92 ] Animation C1 ENERGY= 560.6 kJ/mol
Energy+ZPE= 546.7 kJ/mol ZPE= 0.0461957
CONNECTIONS:
o EQ10 o EQ41
[ TS93 ] Animation Cs ENERGY= 577.2 kJ/mol
Energy+ZPE= 556.9 kJ/mol ZPE= 0.0437404
CONNECTIONS:
o EQ10 o EQ51
[ TS94 ] Animation Cs ENERGY= 417.0 kJ/mol
Energy+ZPE= 401.0 kJ/mol ZPE= 0.0453906
CONNECTIONS:
o EQ10 o DDC17
[ TS95 ] Animation Cs ENERGY= 527.2 kJ/mol
Energy+ZPE= 502.2 kJ/mol ZPE= 0.0419653
CONNECTIONS:
o EQ10 o DDC18
[ TS96 ] Animation C1 ENERGY= 625.8 kJ/mol
Energy+ZPE= 589.8 kJ/mol ZPE= 0.0377742
CONNECTIONS:
o EQ10 o DDC19
[ TS97 ] Animation Cs ENERGY= 233.5 kJ/mol
Energy+ZPE= 227.7 kJ/mol ZPE= 0.0492729
CONNECTIONS:
o EQ11 o EQ11
[ TS98 ] Animation C1 ENERGY= 274.8 kJ/mol
Energy+ZPE= 268.2 kJ/mol ZPE= 0.0489635
CONNECTIONS:
o EQ11 o EQ11
[ TS99 ] Animation C1 ENERGY= 301.0 kJ/mol
Energy+ZPE= 294.9 kJ/mol ZPE= 0.0491535
CONNECTIONS:
o EQ11 o EQ12
[ TS100 ] Animation C1 ENERGY= 308.0 kJ/mol
Energy+ZPE= 301.5 kJ/mol ZPE= 0.0490020
CONNECTIONS:
o EQ11 o EQ12
[ TS101 ] Animation C1 ENERGY= 311.9 kJ/mol
Energy+ZPE= 306.0 kJ/mol ZPE= 0.0492443
CONNECTIONS:
o EQ11 o EQ12
[ TS102 ] Animation C1 ENERGY= 327.8 kJ/mol
Energy+ZPE= 320.1 kJ/mol ZPE= 0.0485623
CONNECTIONS:
o EQ11 o EQ12
[ TS103 ] Animation C1 ENERGY= 543.5 kJ/mol
Energy+ZPE= 528.7 kJ/mol ZPE= 0.0458337
CONNECTIONS:
o EQ11 o EQ12
[ TS104 ] Animation C1 ENERGY= 550.5 kJ/mol
Energy+ZPE= 536.2 kJ/mol ZPE= 0.0460222
CONNECTIONS:
o EQ11 o EQ12
[ TS105 ] Animation C1 ENERGY= 452.0 kJ/mol
Energy+ZPE= 431.7 kJ/mol ZPE= 0.0437398
CONNECTIONS:
o EQ11 o EQ13
[ TS106 ] Animation Cs ENERGY= 301.9 kJ/mol
Energy+ZPE= 288.4 kJ/mol ZPE= 0.0463509
CONNECTIONS:
o EQ11 o EQ20
[ TS107 ] Animation C1 ENERGY= 550.3 kJ/mol
Energy+ZPE= 537.6 kJ/mol ZPE= 0.0466631
CONNECTIONS:
o EQ11 o EQ24
[ TS108 ] Animation C1 ENERGY= 465.7 kJ/mol
Energy+ZPE= 446.3 kJ/mol ZPE= 0.0440970
CONNECTIONS:
o EQ11 o EQ26
[ TS109 ] Animation C1 ENERGY= 624.5 kJ/mol
Energy+ZPE= 603.5 kJ/mol ZPE= 0.0434762
CONNECTIONS:
o EQ11 o EQ28
[ TS110 ] Animation C1 ENERGY= 581.2 kJ/mol
Energy+ZPE= 566.5 kJ/mol ZPE= 0.0459010
CONNECTIONS:
o EQ11 o EQ32
[ TS111 ] Animation C1 ENERGY= 581.6 kJ/mol
Energy+ZPE= 562.0 kJ/mol ZPE= 0.0440343
CONNECTIONS:
o EQ11 o EQ37
[ TS112 ] Animation C1 ENERGY= 637.9 kJ/mol
Energy+ZPE= 621.7 kJ/mol ZPE= 0.0453096
CONNECTIONS:
o EQ11 o EQ37
[ TS113 ] Animation C1 ENERGY= 602.2 kJ/mol
Energy+ZPE= 581.3 kJ/mol ZPE= 0.0435162
CONNECTIONS:
o EQ11 o EQ38
[ TS114 ] Animation C1 ENERGY= 622.5 kJ/mol
Energy+ZPE= 606.3 kJ/mol ZPE= 0.0453286
CONNECTIONS:
o EQ11 o EQ38
[ TS115 ] Animation Cs ENERGY= 578.2 kJ/mol
Energy+ZPE= 558.9 kJ/mol ZPE= 0.0441242
CONNECTIONS:
o EQ11 o EQ42
[ TS116 ] Animation Cs ENERGY= 559.4 kJ/mol
Energy+ZPE= 537.7 kJ/mol ZPE= 0.0432138
CONNECTIONS:
o EQ11 o EQ46
[ TS117 ] Animation C1 ENERGY= 504.2 kJ/mol
Energy+ZPE= 488.0 kJ/mol ZPE= 0.0453149
CONNECTIONS:
o EQ11 o EQ52
[ TS118 ] Animation C1 ENERGY= 614.3 kJ/mol
Energy+ZPE= 599.2 kJ/mol ZPE= 0.0457293
CONNECTIONS:
o EQ11 o EQ59
[ TS119 ] Animation C1 ENERGY= 688.3 kJ/mol
Energy+ZPE= 661.1 kJ/mol ZPE= 0.0411401
CONNECTIONS:
o EQ11 o EQ68
[ TS120 ] Animation C1 ENERGY= 1364.3 kJ/mol
Energy+ZPE= 1341.4 kJ/mol ZPE= 0.0427784
CONNECTIONS:
o EQ11 o EQ91
[ TS121 ] Animation C1 ENERGY= 620.9 kJ/mol
Energy+ZPE= 600.8 kJ/mol ZPE= 0.0438365
CONNECTIONS:
o EQ11 o EQ95
[ TS122 ] Animation C1 ENERGY= 811.8 kJ/mol
Energy+ZPE= 797.6 kJ/mol ZPE= 0.0460647
CONNECTIONS:
o EQ11 o EQ119
[ TS123 ] Animation C1 ENERGY= 800.2 kJ/mol
Energy+ZPE= 782.2 kJ/mol ZPE= 0.0446199
CONNECTIONS:
o EQ11 o EQ122
[ TS124 ] Animation C1 ENERGY= 804.4 kJ/mol
Energy+ZPE= 786.7 kJ/mol ZPE= 0.0447604
CONNECTIONS:
o EQ11 o EQ122
[ TS125 ] Animation C1 ENERGY= 560.8 kJ/mol
Energy+ZPE= 536.7 kJ/mol ZPE= 0.0423268
CONNECTIONS:
o EQ11 o DDC20
[ TS126 ] Animation C1 ENERGY= 565.7 kJ/mol
Energy+ZPE= 531.7 kJ/mol ZPE= 0.0385474
CONNECTIONS:
o EQ11 o DDC21
[ TS127 ] Animation C1 ENERGY= 685.1 kJ/mol
Energy+ZPE= 661.4 kJ/mol ZPE= 0.0424559
CONNECTIONS:
o EQ11 o DDC22
[ TS128 ] Animation C1 ENERGY= 261.8 kJ/mol
Energy+ZPE= 254.6 kJ/mol ZPE= 0.0487357
CONNECTIONS:
o EQ12 o EQ12
[ TS129 ] Animation Cs ENERGY= 568.9 kJ/mol
Energy+ZPE= 552.6 kJ/mol ZPE= 0.0452883
CONNECTIONS:
o EQ12 o EQ12
[ TS130 ] Animation C1 ENERGY= 581.7 kJ/mol
Energy+ZPE= 560.1 kJ/mol ZPE= 0.0432609
CONNECTIONS:
o EQ12 o EQ14
[ TS131 ] Animation C1 ENERGY= 426.1 kJ/mol
Energy+ZPE= 407.4 kJ/mol ZPE= 0.0443701
CONNECTIONS:
o EQ12 o EQ15
[ TS132 ] Animation C1 ENERGY= 603.3 kJ/mol
Energy+ZPE= 589.8 kJ/mol ZPE= 0.0463490
CONNECTIONS:
o EQ12 o EQ24
[ TS133 ] Animation C1 ENERGY= 506.0 kJ/mol
Energy+ZPE= 489.6 kJ/mol ZPE= 0.0452310
CONNECTIONS:
o EQ12 o EQ28
[ TS134 ] Animation C1 ENERGY= 544.1 kJ/mol
Energy+ZPE= 532.5 kJ/mol ZPE= 0.0470869
CONNECTIONS:
o EQ12 o EQ28
[ TS135 ] Animation C1 ENERGY= 547.2 kJ/mol
Energy+ZPE= 535.1 kJ/mol ZPE= 0.0468599
CONNECTIONS:
o EQ12 o EQ29
[ TS136 ] Animation C1 ENERGY= 611.3 kJ/mol
Energy+ZPE= 597.5 kJ/mol ZPE= 0.0462339
CONNECTIONS:
o EQ12 o EQ34
[ TS137 ] Animation C1 ENERGY= 484.8 kJ/mol
Energy+ZPE= 468.4 kJ/mol ZPE= 0.0452382
CONNECTIONS:
o EQ12 o EQ40
[ TS138 ] Animation C1 ENERGY= 508.5 kJ/mol
Energy+ZPE= 490.1 kJ/mol ZPE= 0.0444978
CONNECTIONS:
o EQ12 o EQ40
[ TS139 ] Animation C1 ENERGY= 486.7 kJ/mol
Energy+ZPE= 463.0 kJ/mol ZPE= 0.0424486
CONNECTIONS:
o EQ12 o EQ58
[ TS140 ] Animation C1 ENERGY= 586.8 kJ/mol
Energy+ZPE= 570.3 kJ/mol ZPE= 0.0452135
CONNECTIONS:
o EQ12 o EQ59
[ TS141 ] Animation C1 ENERGY= 598.8 kJ/mol
Energy+ZPE= 580.4 kJ/mol ZPE= 0.0444725
CONNECTIONS:
o EQ12 o EQ61
[ TS142 ] Animation C1 ENERGY= 626.7 kJ/mol
Energy+ZPE= 604.9 kJ/mol ZPE= 0.0432011
CONNECTIONS:
o EQ12 o EQ65
[ TS143 ] Animation C1 ENERGY= 744.9 kJ/mol
Energy+ZPE= 732.2 kJ/mol ZPE= 0.0466591
CONNECTIONS:
o EQ12 o EQ119
[ TS144 ] Animation C1 ENERGY= 784.4 kJ/mol
Energy+ZPE= 768.9 kJ/mol ZPE= 0.0455977
CONNECTIONS:
o EQ12 o EQ119
[ TS145 ] Animation C1 ENERGY= 527.8 kJ/mol
Energy+ZPE= 496.7 kJ/mol ZPE= 0.0396596
CONNECTIONS:
o EQ12 o DDC23
[ TS146 ] Animation C1 ENERGY= 570.2 kJ/mol
Energy+ZPE= 542.1 kJ/mol ZPE= 0.0408022
CONNECTIONS:
o EQ12 o DDC24
[ TS147 ] Animation C1 ENERGY= 591.7 kJ/mol
Energy+ZPE= 566.7 kJ/mol ZPE= 0.0419788
CONNECTIONS:
o EQ12 o DDC25
[ TS148 ] Animation C1 ENERGY= 595.3 kJ/mol
Energy+ZPE= 569.6 kJ/mol ZPE= 0.0416807
CONNECTIONS:
o EQ12 o DDC26
[ TS149 ] Animation C1 ENERGY= 604.1 kJ/mol
Energy+ZPE= 581.7 kJ/mol ZPE= 0.0429454
CONNECTIONS:
o EQ12 o DDC27
[ TS150 ] Animation C1 ENERGY= 606.2 kJ/mol
Energy+ZPE= 588.9 kJ/mol ZPE= 0.0449139
CONNECTIONS:
o EQ12 o DDC28
[ TS151 ] Animation C1 ENERGY= 620.8 kJ/mol
Energy+ZPE= 592.1 kJ/mol ZPE= 0.0405719
CONNECTIONS:
o EQ12 o DDC29
[ TS152 ] Animation Cs ENERGY= 458.2 kJ/mol
Energy+ZPE= 448.5 kJ/mol ZPE= 0.0478061
CONNECTIONS:
o EQ13 o EQ15
[ TS153 ] Animation C1 ENERGY= 525.3 kJ/mol
Energy+ZPE= 513.1 kJ/mol ZPE= 0.0468591
CONNECTIONS:
o EQ13 o EQ15
[ TS154 ] Animation C1 ENERGY= 291.6 kJ/mol
Energy+ZPE= 284.5 kJ/mol ZPE= 0.0487974
CONNECTIONS:
o EQ13 o EQ16
[ TS155 ] Animation C1 ENERGY= 295.7 kJ/mol
Energy+ZPE= 288.6 kJ/mol ZPE= 0.0487989
CONNECTIONS:
o EQ13 o EQ17
[ TS156 ] Animation Cs ENERGY= 452.6 kJ/mol
Energy+ZPE= 443.3 kJ/mol ZPE= 0.0479279
CONNECTIONS:
o EQ13 o EQ19
[ TS157 ] Animation C1 ENERGY= 474.5 kJ/mol
Energy+ZPE= 455.3 kJ/mol ZPE= 0.0441873
CONNECTIONS:
o EQ13 o EQ20
[ TS158 ] Animation C1 ENERGY= 764.9 kJ/mol
Energy+ZPE= 747.5 kJ/mol ZPE= 0.0448525
CONNECTIONS:
o EQ13 o EQ21
[ TS159 ] Animation C1 ENERGY= 549.7 kJ/mol
Energy+ZPE= 529.3 kJ/mol ZPE= 0.0437162
CONNECTIONS:
o EQ13 o EQ47
[ TS160 ] Animation C1 ENERGY= 560.4 kJ/mol
Energy+ZPE= 546.7 kJ/mol ZPE= 0.0462681
CONNECTIONS:
o EQ13 o EQ58
[ TS161 ] Animation C1 ENERGY= 792.2 kJ/mol
Energy+ZPE= 769.9 kJ/mol ZPE= 0.0430002
CONNECTIONS:
o EQ13 o EQ92
[ TS162 ] Animation C1 ENERGY= 737.2 kJ/mol
Energy+ZPE= 723.6 kJ/mol ZPE= 0.0463157
CONNECTIONS:
o EQ13 o EQ124
[ TS163 ] Animation C1 ENERGY= 748.6 kJ/mol
Energy+ZPE= 734.1 kJ/mol ZPE= 0.0459589
CONNECTIONS:
o EQ13 o EQ127
[ TS164 ] Animation C1 ENERGY= 398.8 kJ/mol
Energy+ZPE= 379.1 kJ/mol ZPE= 0.0439957
CONNECTIONS:
o EQ13 o DDC30
[ TS165 ] Animation C1 ENERGY= 617.9 kJ/mol
Energy+ZPE= 592.9 kJ/mol ZPE= 0.0419714
CONNECTIONS:
o EQ13 o DDC31
[ TS166 ] Animation C1 ENERGY= 568.9 kJ/mol
Energy+ZPE= 533.8 kJ/mol ZPE= 0.0381212
CONNECTIONS:
o EQ14 o DDC32
[ TS167 ] Animation Cs ENERGY= 677.3 kJ/mol
Energy+ZPE= 655.4 kJ/mol ZPE= 0.0431413
CONNECTIONS:
o EQ15 o EQ15
[ TS168 ] Animation C1 ENERGY= 294.7 kJ/mol
Energy+ZPE= 286.3 kJ/mol ZPE= 0.0482926
CONNECTIONS:
o EQ15 o EQ18
[ TS169 ] Animation C1 ENERGY= 549.1 kJ/mol
Energy+ZPE= 537.5 kJ/mol ZPE= 0.0470758
CONNECTIONS:
o EQ15 o EQ18
[ TS170 ] Animation C1 ENERGY= 288.8 kJ/mol
Energy+ZPE= 281.4 kJ/mol ZPE= 0.0486861
CONNECTIONS:
o EQ15 o EQ19
[ TS171 ] Animation C1 ENERGY= 789.2 kJ/mol
Energy+ZPE= 771.0 kJ/mol ZPE= 0.0445577
CONNECTIONS:
o EQ15 o EQ19
[ TS172 ] Animation C1 ENERGY= 558.6 kJ/mol
Energy+ZPE= 540.5 kJ/mol ZPE= 0.0445982
CONNECTIONS:
o EQ15 o EQ24
[ TS173 ] Animation Cs ENERGY= 515.1 kJ/mol
Energy+ZPE= 494.3 kJ/mol ZPE= 0.0435516
CONNECTIONS:
o EQ15 o EQ33
[ TS174 ] Animation C1 ENERGY= 610.7 kJ/mol
Energy+ZPE= 590.9 kJ/mol ZPE= 0.0439638
CONNECTIONS:
o EQ15 o EQ56
[ TS175 ] Animation C1 ENERGY= 497.2 kJ/mol
Energy+ZPE= 488.2 kJ/mol ZPE= 0.0480408
CONNECTIONS:
o EQ15 o EQ73
[ TS176 ] Animation C1 ENERGY= 552.2 kJ/mol
Energy+ZPE= 538.5 kJ/mol ZPE= 0.0462581
CONNECTIONS:
o EQ15 o EQ73
[ TS177 ] Animation C1 ENERGY= 568.6 kJ/mol
Energy+ZPE= 558.1 kJ/mol ZPE= 0.0475032
CONNECTIONS:
o EQ15 o EQ78
[ TS178 ] Animation C1 ENERGY= 773.8 kJ/mol
Energy+ZPE= 754.4 kJ/mol ZPE= 0.0441157
CONNECTIONS:
o EQ15 o EQ92
[ TS179 ] Animation C1 ENERGY= 740.7 kJ/mol
Energy+ZPE= 728.3 kJ/mol ZPE= 0.0467657
CONNECTIONS:
o EQ15 o EQ124
[ TS180 ] Animation C1 ENERGY= 541.4 kJ/mol
Energy+ZPE= 519.7 kJ/mol ZPE= 0.0432142
CONNECTIONS:
o EQ15 o DDC33
[ TS181 ] Animation C1 ENERGY= 629.1 kJ/mol
Energy+ZPE= 602.9 kJ/mol ZPE= 0.0415062
CONNECTIONS:
o EQ15 o DDC34
[ TS182 ] Animation C1 ENERGY= 302.8 kJ/mol
Energy+ZPE= 295.6 kJ/mol ZPE= 0.0487478
CONNECTIONS:
o EQ16 o EQ17
[ TS183 ] Animation C1 ENERGY= 731.4 kJ/mol
Energy+ZPE= 708.4 kJ/mol ZPE= 0.0427393
CONNECTIONS:
o EQ16 o EQ18
[ TS184 ] Animation Cs ENERGY= 468.0 kJ/mol
Energy+ZPE= 457.7 kJ/mol ZPE= 0.0475729
CONNECTIONS:
o EQ16 o EQ21
[ TS185 ] Animation Cs ENERGY= 527.9 kJ/mol
Energy+ZPE= 507.0 kJ/mol ZPE= 0.0435277
CONNECTIONS:
o EQ16 o EQ31
[ TS186 ] Animation C1 ENERGY= 554.9 kJ/mol
Energy+ZPE= 536.0 kJ/mol ZPE= 0.0443045
CONNECTIONS:
o EQ16 o EQ46
[ TS187 ] Animation C1 ENERGY= 535.8 kJ/mol
Energy+ZPE= 523.4 kJ/mol ZPE= 0.0467577
CONNECTIONS:
o EQ16 o EQ78
[ TS188 ] Animation C1 ENERGY= 801.0 kJ/mol
Energy+ZPE= 778.6 kJ/mol ZPE= 0.0429387
CONNECTIONS:
o EQ16 o EQ94
[ TS189 ] Animation Cs ENERGY= 668.7 kJ/mol
Energy+ZPE= 636.8 kJ/mol ZPE= 0.0393224
CONNECTIONS:
o EQ16 o DDC35
[ TS190 ] Animation C1 ENERGY= 704.3 kJ/mol
Energy+ZPE= 679.1 kJ/mol ZPE= 0.0418822
CONNECTIONS:
o EQ16 o DDC36
[ TS191 ] Animation Cs ENERGY= 464.0 kJ/mol
Energy+ZPE= 454.0 kJ/mol ZPE= 0.0476789
CONNECTIONS:
o EQ17 o EQ18
[ TS192 ] Animation C1 ENERGY= 555.5 kJ/mol
Energy+ZPE= 538.6 kJ/mol ZPE= 0.0450468
CONNECTIONS:
o EQ17 o EQ26
[ TS193 ] Animation C1 ENERGY= 589.5 kJ/mol
Energy+ZPE= 565.4 kJ/mol ZPE= 0.0423240
CONNECTIONS:
o EQ17 o EQ26
[ TS194 ] Animation C1 ENERGY= 659.9 kJ/mol
Energy+ZPE= 636.9 kJ/mol ZPE= 0.0427107
CONNECTIONS:
o EQ17 o EQ35
[ TS195 ] Animation C1 ENERGY= 554.7 kJ/mol
Energy+ZPE= 535.9 kJ/mol ZPE= 0.0443201
CONNECTIONS:
o EQ17 o EQ46
[ TS196 ] Animation C1 ENERGY= 750.6 kJ/mol
Energy+ZPE= 734.2 kJ/mol ZPE= 0.0452365
CONNECTIONS:
o EQ17 o EQ87
[ TS197 ] Animation C1 ENERGY= 790.8 kJ/mol
Energy+ZPE= 774.8 kJ/mol ZPE= 0.0454056
CONNECTIONS:
o EQ17 o EQ127
[ TS198 ] Animation C1 ENERGY= 795.0 kJ/mol
Energy+ZPE= 777.9 kJ/mol ZPE= 0.0449889
CONNECTIONS:
o EQ17 o EQ127
[ TS199 ] Animation C1 ENERGY= 490.9 kJ/mol
Energy+ZPE= 474.2 kJ/mol ZPE= 0.0451412
CONNECTIONS:
o EQ17 o DDC37
[ TS200 ] Animation C1 ENERGY= 601.9 kJ/mol
Energy+ZPE= 578.7 kJ/mol ZPE= 0.0426649
CONNECTIONS:
o EQ17 o DDC38
[ TS201 ] Animation Cs ENERGY= 676.5 kJ/mol
Energy+ZPE= 643.5 kJ/mol ZPE= 0.0389085
CONNECTIONS:
o EQ17 o DDC39
[ TS202 ] Animation C1 ENERGY= 823.1 kJ/mol
Energy+ZPE= 799.8 kJ/mol ZPE= 0.0426092
CONNECTIONS:
o EQ17 o DDC40
[ TS203 ] Animation Cs ENERGY= 594.5 kJ/mol
Energy+ZPE= 583.0 kJ/mol ZPE= 0.0471013
CONNECTIONS:
o EQ18 o EQ18
[ TS204 ] Animation C1 ENERGY= 313.9 kJ/mol
Energy+ZPE= 305.0 kJ/mol ZPE= 0.0480860
CONNECTIONS:
o EQ18 o EQ21
[ TS205 ] Animation C1 ENERGY= 777.8 kJ/mol
Energy+ZPE= 762.3 kJ/mol ZPE= 0.0455806
CONNECTIONS:
o EQ18 o EQ21
[ TS206 ] Animation C1 ENERGY= 781.8 kJ/mol
Energy+ZPE= 764.8 kJ/mol ZPE= 0.0450121
CONNECTIONS:
o EQ18 o EQ21
[ TS207 ] Animation Cs ENERGY= 525.3 kJ/mol
Energy+ZPE= 503.5 kJ/mol ZPE= 0.0431754
CONNECTIONS:
o EQ18 o EQ30
[ TS208 ] Animation C1 ENERGY= 581.4 kJ/mol
Energy+ZPE= 562.6 kJ/mol ZPE= 0.0443191
CONNECTIONS:
o EQ18 o EQ32
[ TS209 ] Animation C1 ENERGY= 611.3 kJ/mol
Energy+ZPE= 592.9 kJ/mol ZPE= 0.0444971
CONNECTIONS:
o EQ18 o EQ48
[ TS210 ] Animation C1 ENERGY= 790.9 kJ/mol
Energy+ZPE= 767.8 kJ/mol ZPE= 0.0426770
CONNECTIONS:
o EQ18 o EQ59
[ TS211 ] Animation C1 ENERGY= 513.0 kJ/mol
Energy+ZPE= 503.3 kJ/mol ZPE= 0.0477895
CONNECTIONS:
o EQ18 o EQ78
[ TS212 ] Animation C1 ENERGY= 572.5 kJ/mol
Energy+ZPE= 558.4 kJ/mol ZPE= 0.0461078
CONNECTIONS:
o EQ18 o EQ78
[ TS213 ] Animation C1 ENERGY= 761.0 kJ/mol
Energy+ZPE= 743.1 kJ/mol ZPE= 0.0446719
CONNECTIONS:
o EQ18 o EQ87
[ TS214 ] Animation C1 ENERGY= 749.3 kJ/mol
Energy+ZPE= 735.5 kJ/mol ZPE= 0.0462124
CONNECTIONS:
o EQ18 o EQ127
[ TS215 ] Animation C1 ENERGY= 541.9 kJ/mol
Energy+ZPE= 520.4 kJ/mol ZPE= 0.0433047
CONNECTIONS:
o EQ18 o DDC41
[ TS216 ] Animation Cs ENERGY= 655.2 kJ/mol
Energy+ZPE= 621.4 kJ/mol ZPE= 0.0386034
CONNECTIONS:
o EQ18 o DDC42
[ TS217 ] Animation C1 ENERGY= 315.6 kJ/mol
Energy+ZPE= 306.0 kJ/mol ZPE= 0.0478489
CONNECTIONS:
o EQ19 o EQ21
[ TS218 ] Animation C1 ENERGY= 587.7 kJ/mol
Energy+ZPE= 564.6 kJ/mol ZPE= 0.0427008
CONNECTIONS:
o EQ19 o EQ35
[ TS219 ] Animation C1 ENERGY= 603.8 kJ/mol
Energy+ZPE= 583.9 kJ/mol ZPE= 0.0438996
CONNECTIONS:
o EQ19 o EQ56
[ TS220 ] Animation C1 ENERGY= 774.4 kJ/mol
Energy+ZPE= 751.3 kJ/mol ZPE= 0.0427002
CONNECTIONS:
o EQ19 o EQ61
[ TS221 ] Animation C1 ENERGY= 801.8 kJ/mol
Energy+ZPE= 780.4 kJ/mol ZPE= 0.0433312
CONNECTIONS:
o EQ19 o EQ94
[ TS222 ] Animation C1 ENERGY= 802.0 kJ/mol
Energy+ZPE= 780.4 kJ/mol ZPE= 0.0432713
CONNECTIONS:
o EQ19 o EQ94
[ TS223 ] Animation C1 ENERGY= 640.3 kJ/mol
Energy+ZPE= 613.0 kJ/mol ZPE= 0.0410878
CONNECTIONS:
o EQ19 o DDC43
[ TS224 ] Animation C1 ENERGY= 485.6 kJ/mol
Energy+ZPE= 478.4 kJ/mol ZPE= 0.0487262
CONNECTIONS:
o EQ20 o EQ24
[ TS225 ] Animation C1 ENERGY= 469.9 kJ/mol
Energy+ZPE= 450.3 kJ/mol ZPE= 0.0440041
CONNECTIONS:
o EQ20 o EQ26
[ TS226 ] Animation C1 ENERGY= 512.7 kJ/mol
Energy+ZPE= 503.6 kJ/mol ZPE= 0.0480355
CONNECTIONS:
o EQ20 o EQ28
[ TS227 ] Animation C1 ENERGY= 344.0 kJ/mol
Energy+ZPE= 337.7 kJ/mol ZPE= 0.0490942
CONNECTIONS:
o EQ20 o EQ31
[ TS228 ] Animation C1 ENERGY= 629.7 kJ/mol
Energy+ZPE= 610.4 kJ/mol ZPE= 0.0441415
CONNECTIONS:
o EQ20 o EQ97
[ TS229 ] Animation C1 ENERGY= 864.5 kJ/mol
Energy+ZPE= 847.1 kJ/mol ZPE= 0.0448528
CONNECTIONS:
o EQ20 o EQ113
[ TS230 ] Animation Cs ENERGY= 845.5 kJ/mol
Energy+ZPE= 827.1 kJ/mol ZPE= 0.0444908
CONNECTIONS:
o EQ20 o EQ117
[ TS231 ] Animation C1 ENERGY= 874.3 kJ/mol
Energy+ZPE= 855.8 kJ/mol ZPE= 0.0444330
CONNECTIONS:
o EQ20 o EQ117
[ TS232 ] Animation C1 ENERGY= 603.7 kJ/mol
Energy+ZPE= 585.6 kJ/mol ZPE= 0.0445952
CONNECTIONS:
o EQ20 o DDC44
[ TS233 ] Animation C1 ENERGY= 596.7 kJ/mol
Energy+ZPE= 572.9 kJ/mol ZPE= 0.0424047
CONNECTIONS:
o EQ21 o EQ35
[ TS234 ] Animation C1 ENERGY= 605.5 kJ/mol
Energy+ZPE= 586.7 kJ/mol ZPE= 0.0443346
CONNECTIONS:
o EQ21 o EQ48
[ TS235 ] Animation C1 ENERGY= 772.5 kJ/mol
Energy+ZPE= 753.3 kJ/mol ZPE= 0.0441582
CONNECTIONS:
o EQ21 o EQ87
[ TS236 ] Animation C1 ENERGY= 570.0 kJ/mol
Energy+ZPE= 539.5 kJ/mol ZPE= 0.0398630
CONNECTIONS:
o EQ21 o DDC45
[ TS237 ] Animation Cs ENERGY= 677.6 kJ/mol
Energy+ZPE= 640.7 kJ/mol ZPE= 0.0374480
CONNECTIONS:
o EQ21 o DDC46
[ TS238 ] Animation C1 ENERGY= 780.0 kJ/mol
Energy+ZPE= 745.3 kJ/mol ZPE= 0.0382851
CONNECTIONS:
o EQ22 o DDC47
[ TS239 ] Animation C1 ENERGY= 320.2 kJ/mol
Energy+ZPE= 316.6 kJ/mol ZPE= 0.0501232
CONNECTIONS:
o EQ23 o EQ23
[ TS240 ] Animation C1 ENERGY= 604.1 kJ/mol
Energy+ZPE= 585.9 kJ/mol ZPE= 0.0445591
CONNECTIONS:
o EQ23 o EQ57
[ TS241 ] Animation C1 ENERGY= 948.3 kJ/mol
Energy+ZPE= 928.3 kJ/mol ZPE= 0.0438722
CONNECTIONS:
o EQ23 o EQ101
[ TS242 ] Animation C1 ENERGY= 859.3 kJ/mol
Energy+ZPE= 837.4 kJ/mol ZPE= 0.0431637
CONNECTIONS:
o EQ23 o DDC48
[ TS243 ] Animation C1 ENERGY= 459.0 kJ/mol
Energy+ZPE= 450.2 kJ/mol ZPE= 0.0481390
CONNECTIONS:
o EQ24 o EQ28
[ TS244 ] Animation C1 ENERGY= 343.6 kJ/mol
Energy+ZPE= 338.5 kJ/mol ZPE= 0.0495387
CONNECTIONS:
o EQ24 o EQ32
[ TS245 ] Animation C1 ENERGY= 347.0 kJ/mol
Energy+ZPE= 341.7 kJ/mol ZPE= 0.0494557
CONNECTIONS:
o EQ24 o EQ34
[ TS246 ] Animation C1 ENERGY= 638.5 kJ/mol
Energy+ZPE= 623.6 kJ/mol ZPE= 0.0458272
CONNECTIONS:
o EQ24 o EQ43
[ TS247 ] Animation C1 ENERGY= 496.0 kJ/mol
Energy+ZPE= 484.9 kJ/mol ZPE= 0.0472623
CONNECTIONS:
o EQ24 o EQ62
[ TS248 ] Animation C1 ENERGY= 663.8 kJ/mol
Energy+ZPE= 639.9 kJ/mol ZPE= 0.0423900
CONNECTIONS:
o EQ24 o DDC49
[ TS249 ] Animation C1 ENERGY= 664.9 kJ/mol
Energy+ZPE= 641.0 kJ/mol ZPE= 0.0423999
CONNECTIONS:
o EQ24 o DDC50
[ TS250 ] Animation C1 ENERGY= 701.2 kJ/mol
Energy+ZPE= 684.6 kJ/mol ZPE= 0.0451788
CONNECTIONS:
o EQ24 o DDC51
[ TS251 ] Animation Cs ENERGY= 329.8 kJ/mol
Energy+ZPE= 321.6 kJ/mol ZPE= 0.0483556
CONNECTIONS:
o EQ25 o EQ25
[ TS252 ] Animation Cs ENERGY= 504.4 kJ/mol
Energy+ZPE= 491.4 kJ/mol ZPE= 0.0465475
CONNECTIONS:
o EQ25 o EQ25
[ TS253 ] Animation C1 ENERGY= 385.1 kJ/mol
Energy+ZPE= 374.3 kJ/mol ZPE= 0.0473906
CONNECTIONS:
o EQ25 o EQ27
[ TS254 ] Animation C1 ENERGY= 588.7 kJ/mol
Energy+ZPE= 572.6 kJ/mol ZPE= 0.0453598
CONNECTIONS:
o EQ25 o EQ82
[ TS255 ] Animation C1 ENERGY= 894.5 kJ/mol
Energy+ZPE= 877.3 kJ/mol ZPE= 0.0449535
CONNECTIONS:
o EQ25 o EQ138
[ TS256 ] Animation C1 ENERGY= 907.9 kJ/mol
Energy+ZPE= 890.9 kJ/mol ZPE= 0.0449982
CONNECTIONS:
o EQ25 o EQ138
[ TS257 ] Animation Cs ENERGY= 654.8 kJ/mol
Energy+ZPE= 629.2 kJ/mol ZPE= 0.0417281
CONNECTIONS:
o EQ25 o DDC52
[ TS258 ] Animation C1 ENERGY= 697.3 kJ/mol
Energy+ZPE= 658.8 kJ/mol ZPE= 0.0368400
CONNECTIONS:
o EQ25 o DDC53
[ TS259 ] Animation C1 ENERGY= 713.9 kJ/mol
Energy+ZPE= 675.6 kJ/mol ZPE= 0.0368919
CONNECTIONS:
o EQ25 o DDC54
[ TS260 ] Animation Cs ENERGY= 575.9 kJ/mol
Energy+ZPE= 553.0 kJ/mol ZPE= 0.0427620
CONNECTIONS:
o EQ26 o EQ26
[ TS261 ] Animation C1 ENERGY= 354.5 kJ/mol
Energy+ZPE= 347.7 kJ/mol ZPE= 0.0489039
CONNECTIONS:
o EQ26 o EQ35
[ TS262 ] Animation C1 ENERGY= 361.3 kJ/mol
Energy+ZPE= 353.7 kJ/mol ZPE= 0.0485860
CONNECTIONS:
o EQ26 o EQ35
[ TS263 ] Animation C1 ENERGY= 578.6 kJ/mol
Energy+ZPE= 565.1 kJ/mol ZPE= 0.0463452
CONNECTIONS:
o EQ26 o EQ35
[ TS264 ] Animation C1 ENERGY= 354.5 kJ/mol
Energy+ZPE= 344.9 kJ/mol ZPE= 0.0478353
CONNECTIONS:
o EQ26 o EQ36
[ TS265 ] Animation C1 ENERGY= 575.1 kJ/mol
Energy+ZPE= 560.3 kJ/mol ZPE= 0.0458437
CONNECTIONS:
o EQ26 o EQ61
[ TS266 ] Animation C1 ENERGY= 733.0 kJ/mol
Energy+ZPE= 714.1 kJ/mol ZPE= 0.0443034
CONNECTIONS:
o EQ26 o EQ71
[ TS267 ] Animation C1 ENERGY= 557.3 kJ/mol
Energy+ZPE= 537.6 kJ/mol ZPE= 0.0439873
CONNECTIONS:
o EQ26 o EQ83
[ TS268 ] Animation C1 ENERGY= 601.9 kJ/mol
Energy+ZPE= 574.0 kJ/mol ZPE= 0.0408701
CONNECTIONS:
o EQ26 o EQ93
[ TS269 ] Animation Cs ENERGY= 569.9 kJ/mol
Energy+ZPE= 542.7 kJ/mol ZPE= 0.0411174
CONNECTIONS:
o EQ26 o DDC55
[ TS270 ] Animation C1 ENERGY= 601.1 kJ/mol
Energy+ZPE= 574.0 kJ/mol ZPE= 0.0411564
CONNECTIONS:
o EQ26 o DDC56
[ TS271 ] Animation C1 ENERGY= 620.4 kJ/mol
Energy+ZPE= 596.1 kJ/mol ZPE= 0.0422373
CONNECTIONS:
o EQ26 o DDC57
[ TS272 ] Animation C1 ENERGY= 694.6 kJ/mol
Energy+ZPE= 662.4 kJ/mol ZPE= 0.0392222
CONNECTIONS:
o EQ26 o DDC58
[ TS273 ] Animation Cs ENERGY= 333.3 kJ/mol
Energy+ZPE= 324.5 kJ/mol ZPE= 0.0481529
CONNECTIONS:
o EQ27 o EQ27
[ TS274 ] Animation C1 ENERGY= 694.7 kJ/mol
Energy+ZPE= 667.0 kJ/mol ZPE= 0.0409342
CONNECTIONS:
o EQ27 o EQ35
[ TS275 ] Animation C1 ENERGY= 562.0 kJ/mol
Energy+ZPE= 544.7 kJ/mol ZPE= 0.0448870
CONNECTIONS:
o EQ27 o EQ80
[ TS276 ] Animation C1 ENERGY= 1121.4 kJ/mol
Energy+ZPE= 1100.4 kJ/mol ZPE= 0.0435049
CONNECTIONS:
o EQ27 o EQ141
[ TS277 ] Animation C1 ENERGY= 520.9 kJ/mol
Energy+ZPE= 494.9 kJ/mol ZPE= 0.0415785
CONNECTIONS:
o EQ27 o DDC59
[ TS278 ] Animation Cs ENERGY= 670.0 kJ/mol
Energy+ZPE= 650.5 kJ/mol ZPE= 0.0440509
CONNECTIONS:
o EQ27 o DDC60
[ TS279 ] Animation C1 ENERGY= 724.5 kJ/mol
Energy+ZPE= 684.6 kJ/mol ZPE= 0.0362814
CONNECTIONS:
o EQ27 o DDC61
[ TS280 ] Animation C1 ENERGY= 736.0 kJ/mol
Energy+ZPE= 697.0 kJ/mol ZPE= 0.0366222
CONNECTIONS:
o EQ27 o DDC62
[ TS281 ] Animation C1 ENERGY= 756.5 kJ/mol
Energy+ZPE= 727.4 kJ/mol ZPE= 0.0404047
CONNECTIONS:
o EQ27 o DDC63
[ TS282 ] Animation Cs ENERGY= 783.0 kJ/mol
Energy+ZPE= 752.6 kJ/mol ZPE= 0.0399064
CONNECTIONS:
o EQ27 o DDC64
[ TS283 ] Animation C1 ENERGY= 337.9 kJ/mol
Energy+ZPE= 332.8 kJ/mol ZPE= 0.0495615
CONNECTIONS:
o EQ28 o EQ29
[ TS284 ] Animation C1 ENERGY= 351.8 kJ/mol
Energy+ZPE= 346.6 kJ/mol ZPE= 0.0494931
CONNECTIONS:
o EQ28 o EQ29
[ TS285 ] Animation C1 ENERGY= 494.0 kJ/mol
Energy+ZPE= 485.6 kJ/mol ZPE= 0.0482933
CONNECTIONS:
o EQ28 o EQ33
[ TS286 ] Animation C1 ENERGY= 631.4 kJ/mol
Energy+ZPE= 616.1 kJ/mol ZPE= 0.0456613
CONNECTIONS:
o EQ28 o EQ39
[ TS287 ] Animation C1 ENERGY= 515.8 kJ/mol
Energy+ZPE= 503.5 kJ/mol ZPE= 0.0468155
CONNECTIONS:
o EQ28 o EQ68
[ TS288 ] Animation C1 ENERGY= 551.9 kJ/mol
Energy+ZPE= 533.9 kJ/mol ZPE= 0.0446342
CONNECTIONS:
o EQ28 o EQ73
[ TS289 ] Animation C1 ENERGY= 588.0 kJ/mol
Energy+ZPE= 565.9 kJ/mol ZPE= 0.0430689
CONNECTIONS:
o EQ28 o DDC65
[ TS290 ] Animation C1 ENERGY= 490.5 kJ/mol
Energy+ZPE= 482.2 kJ/mol ZPE= 0.0483408
CONNECTIONS:
o EQ29 o EQ30
[ TS291 ] Animation C1 ENERGY= 551.5 kJ/mol
Energy+ZPE= 539.9 kJ/mol ZPE= 0.0470616
CONNECTIONS:
o EQ29 o EQ31
[ TS292 ] Animation C1 ENERGY= 477.0 kJ/mol
Energy+ZPE= 467.8 kJ/mol ZPE= 0.0479652
CONNECTIONS:
o EQ29 o EQ32
[ TS293 ] Animation C1 ENERGY= 635.7 kJ/mol
Energy+ZPE= 619.4 kJ/mol ZPE= 0.0452622
CONNECTIONS:
o EQ29 o EQ39
[ TS294 ] Animation C1 ENERGY= 555.8 kJ/mol
Energy+ZPE= 542.3 kJ/mol ZPE= 0.0463523
CONNECTIONS:
o EQ29 o EQ65
[ TS295 ] Animation C1 ENERGY= 530.5 kJ/mol
Energy+ZPE= 518.0 kJ/mol ZPE= 0.0467072
CONNECTIONS:
o EQ29 o EQ76
[ TS296 ] Animation C1 ENERGY= 560.3 kJ/mol
Energy+ZPE= 541.9 kJ/mol ZPE= 0.0444822
CONNECTIONS:
o EQ29 o EQ78
[ TS297 ] Animation C1 ENERGY= 600.2 kJ/mol
Energy+ZPE= 577.7 kJ/mol ZPE= 0.0429136
CONNECTIONS:
o EQ29 o DDC66
[ TS298 ] Animation C1 ENERGY= 652.6 kJ/mol
Energy+ZPE= 629.0 kJ/mol ZPE= 0.0425172
CONNECTIONS:
o EQ29 o DDC67
[ TS299 ] Animation C1 ENERGY= 849.0 kJ/mol
Energy+ZPE= 832.3 kJ/mol ZPE= 0.0451291
CONNECTIONS:
o EQ29 o DDC68
[ TS300 ] Animation Cs ENERGY= 336.9 kJ/mol
Energy+ZPE= 330.8 kJ/mol ZPE= 0.0491524
CONNECTIONS:
o EQ30 o EQ30
[ TS301 ] Animation C1 ENERGY= 494.9 kJ/mol
Energy+ZPE= 485.9 kJ/mol ZPE= 0.0480406
CONNECTIONS:
o EQ30 o EQ32
[ TS302 ] Animation C1 ENERGY= 346.1 kJ/mol
Energy+ZPE= 339.1 kJ/mol ZPE= 0.0488168
CONNECTIONS:
o EQ30 o EQ33
[ TS303 ] Animation C1 ENERGY= 557.5 kJ/mol
Energy+ZPE= 536.2 kJ/mol ZPE= 0.0433827
CONNECTIONS:
o EQ30 o EQ35
[ TS304 ] Animation Cs ENERGY= 522.0 kJ/mol
Energy+ZPE= 504.2 kJ/mol ZPE= 0.0447050
CONNECTIONS:
o EQ30 o EQ48
[ TS305 ] Animation C1 ENERGY= 575.8 kJ/mol
Energy+ZPE= 555.5 kJ/mol ZPE= 0.0437383
CONNECTIONS:
o EQ30 o EQ84
[ TS306 ] Animation C1 ENERGY= 704.1 kJ/mol
Energy+ZPE= 679.7 kJ/mol ZPE= 0.0421899
CONNECTIONS:
o EQ30 o EQ108
[ TS307 ] Animation C1 ENERGY= 822.0 kJ/mol
Energy+ZPE= 807.1 kJ/mol ZPE= 0.0458302
CONNECTIONS:
o EQ30 o EQ119
[ TS308 ] Animation C1 ENERGY= 863.0 kJ/mol
Energy+ZPE= 845.2 kJ/mol ZPE= 0.0447118
CONNECTIONS:
o EQ30 o EQ119
[ TS309 ] Animation C1 ENERGY= 877.3 kJ/mol
Energy+ZPE= 858.0 kJ/mol ZPE= 0.0441455
CONNECTIONS:
o EQ30 o EQ119
[ TS310 ] Animation C1 ENERGY= 886.8 kJ/mol
Energy+ZPE= 868.1 kJ/mol ZPE= 0.0443530
CONNECTIONS:
o EQ30 o EQ119
[ TS311 ] Animation C1 ENERGY= 806.4 kJ/mol
Energy+ZPE= 792.6 kJ/mol ZPE= 0.0462199
CONNECTIONS:
o EQ30 o EQ122
[ TS312 ] Animation C1 ENERGY= 826.7 kJ/mol
Energy+ZPE= 811.1 kJ/mol ZPE= 0.0455271
CONNECTIONS:
o EQ30 o EQ122
[ TS313 ] Animation C1 ENERGY= 581.1 kJ/mol
Energy+ZPE= 563.6 kJ/mol ZPE= 0.0448372
CONNECTIONS:
o EQ30 o DDC69
[ TS314 ] Animation C1 ENERGY= 537.2 kJ/mol
Energy+ZPE= 528.1 kJ/mol ZPE= 0.0480162
CONNECTIONS:
o EQ31 o EQ32
[ TS315 ] Animation C1 ENERGY= 530.9 kJ/mol
Energy+ZPE= 511.2 kJ/mol ZPE= 0.0439791
CONNECTIONS:
o EQ31 o EQ36
[ TS316 ] Animation C1 ENERGY= 638.4 kJ/mol
Energy+ZPE= 621.3 kJ/mol ZPE= 0.0449912
CONNECTIONS:
o EQ31 o EQ96
[ TS317 ] Animation Cs ENERGY= 855.0 kJ/mol
Energy+ZPE= 834.3 kJ/mol ZPE= 0.0436132
CONNECTIONS:
o EQ31 o EQ117
[ TS318 ] Animation C1 ENERGY= 345.3 kJ/mol
Energy+ZPE= 340.4 kJ/mol ZPE= 0.0496185
CONNECTIONS:
o EQ32 o EQ34
[ TS319 ] Animation C1 ENERGY= 656.8 kJ/mol
Energy+ZPE= 640.0 kJ/mol ZPE= 0.0451007
CONNECTIONS:
o EQ32 o EQ43
[ TS320 ] Animation C1 ENERGY= 594.9 kJ/mol
Energy+ZPE= 577.6 kJ/mol ZPE= 0.0449113
CONNECTIONS:
o EQ32 o EQ46
[ TS321 ] Animation C1 ENERGY= 573.8 kJ/mol
Energy+ZPE= 560.1 kJ/mol ZPE= 0.0462641
CONNECTIONS:
o EQ32 o EQ67
[ TS322 ] Animation C1 ENERGY= 973.7 kJ/mol
Energy+ZPE= 950.8 kJ/mol ZPE= 0.0427604
CONNECTIONS:
o EQ32 o EQ119
[ TS323 ] Animation C1 ENERGY= 711.5 kJ/mol
Energy+ZPE= 679.3 kJ/mol ZPE= 0.0392081
CONNECTIONS:
o EQ32 o DDC70
[ TS324 ] Animation C1 ENERGY= 757.4 kJ/mol
Energy+ZPE= 723.8 kJ/mol ZPE= 0.0386766
CONNECTIONS:
o EQ32 o DDC71
[ TS325 ] Animation Cs ENERGY= 541.8 kJ/mol
Energy+ZPE= 522.4 kJ/mol ZPE= 0.0440983
CONNECTIONS:
o EQ33 o EQ56
[ TS326 ] Animation C1 ENERGY= 627.9 kJ/mol
Energy+ZPE= 609.2 kJ/mol ZPE= 0.0443834
CONNECTIONS:
o EQ33 o EQ97
[ TS327 ] Animation C1 ENERGY= 583.1 kJ/mol
Energy+ZPE= 551.2 kJ/mol ZPE= 0.0393526
CONNECTIONS:
o EQ33 o DDC72
[ TS328 ] Animation C1 ENERGY= 511.5 kJ/mol
Energy+ZPE= 500.2 kJ/mol ZPE= 0.0471754
CONNECTIONS:
o EQ34 o EQ66
[ TS329 ] Animation C1 ENERGY= 824.3 kJ/mol
Energy+ZPE= 788.6 kJ/mol ZPE= 0.0378784
CONNECTIONS:
o EQ34 o DDC73
[ TS330 ] Animation Cs ENERGY= 349.7 kJ/mol
Energy+ZPE= 339.3 kJ/mol ZPE= 0.0475145
CONNECTIONS:
o EQ35 o EQ35
[ TS331 ] Animation C1 ENERGY= 652.0 kJ/mol
Energy+ZPE= 636.0 kJ/mol ZPE= 0.0454063
CONNECTIONS:
o EQ35 o EQ45
[ TS332 ] Animation C1 ENERGY= 656.6 kJ/mol
Energy+ZPE= 640.0 kJ/mol ZPE= 0.0451684
CONNECTIONS:
o EQ35 o EQ45
[ TS333 ] Animation C1 ENERGY= 707.0 kJ/mol
Energy+ZPE= 689.1 kJ/mol ZPE= 0.0446875
CONNECTIONS:
o EQ35 o EQ59
[ TS334 ] Animation C1 ENERGY= 640.8 kJ/mol
Energy+ZPE= 615.6 kJ/mol ZPE= 0.0418739
CONNECTIONS:
o EQ35 o EQ84
[ TS335 ] Animation C1 ENERGY= 754.4 kJ/mol
Energy+ZPE= 736.7 kJ/mol ZPE= 0.0447636
CONNECTIONS:
o EQ35 o EQ87
[ TS336 ] Animation C1 ENERGY= 615.0 kJ/mol
Energy+ZPE= 596.3 kJ/mol ZPE= 0.0443824
CONNECTIONS:
o EQ35 o EQ93
[ TS337 ] Animation C1 ENERGY= 770.4 kJ/mol
Energy+ZPE= 754.8 kJ/mol ZPE= 0.0455349
CONNECTIONS:
o EQ35 o EQ124
[ TS338 ] Animation C1 ENERGY= 498.2 kJ/mol
Energy+ZPE= 479.1 kJ/mol ZPE= 0.0441945
CONNECTIONS:
o EQ35 o DDC74
[ TS339 ] Animation C1 ENERGY= 567.7 kJ/mol
Energy+ZPE= 553.6 kJ/mol ZPE= 0.0461035
CONNECTIONS:
o EQ35 o DDC75
[ TS340 ] Animation C1 ENERGY= 730.5 kJ/mol
Energy+ZPE= 711.3 kJ/mol ZPE= 0.0441764
CONNECTIONS:
o EQ36 o EQ71
[ TS341 ] Animation Cs ENERGY= 650.8 kJ/mol
Energy+ZPE= 628.3 kJ/mol ZPE= 0.0429172
CONNECTIONS:
o EQ36 o DDC76
[ TS342 ] Animation Cs ENERGY= 751.5 kJ/mol
Energy+ZPE= 728.6 kJ/mol ZPE= 0.0427557
CONNECTIONS:
o EQ37 o EQ37
[ TS343 ] Animation C1 ENERGY= 465.5 kJ/mol
Energy+ZPE= 451.7 kJ/mol ZPE= 0.0462172
CONNECTIONS:
o EQ37 o EQ38
[ TS344 ] Animation C1 ENERGY= 941.5 kJ/mol
Energy+ZPE= 921.8 kJ/mol ZPE= 0.0439705
CONNECTIONS:
o EQ37 o EQ38
[ TS345 ] Animation C1 ENERGY= 388.4 kJ/mol
Energy+ZPE= 380.7 kJ/mol ZPE= 0.0485704
CONNECTIONS:
o EQ37 o EQ42
[ TS346 ] Animation C1 ENERGY= 416.6 kJ/mol
Energy+ZPE= 408.2 kJ/mol ZPE= 0.0482717
CONNECTIONS:
o EQ37 o EQ43
[ TS347 ] Animation C1 ENERGY= 427.3 kJ/mol
Energy+ZPE= 417.8 kJ/mol ZPE= 0.0478635
CONNECTIONS:
o EQ37 o EQ43
[ TS348 ] Animation C1 ENERGY= 691.5 kJ/mol
Energy+ZPE= 669.8 kJ/mol ZPE= 0.0432182
CONNECTIONS:
o EQ37 o EQ54
[ TS349 ] Animation Cs ENERGY= 427.2 kJ/mol
Energy+ZPE= 411.5 kJ/mol ZPE= 0.0455217
CONNECTIONS:
o EQ37 o EQ55
[ TS350 ] Animation C1 ENERGY= 620.4 kJ/mol
Energy+ZPE= 609.6 kJ/mol ZPE= 0.0473662
CONNECTIONS:
o EQ37 o EQ91
[ TS351 ] Animation Cs ENERGY= 763.2 kJ/mol
Energy+ZPE= 732.5 kJ/mol ZPE= 0.0397790
CONNECTIONS:
o EQ37 o EQ120
[ TS352 ] Animation C1 ENERGY= 823.4 kJ/mol
Energy+ZPE= 806.6 kJ/mol ZPE= 0.0450935
CONNECTIONS:
o EQ37 o EQ121
[ TS353 ] Animation C1 ENERGY= 764.3 kJ/mol
Energy+ZPE= 739.6 kJ/mol ZPE= 0.0420779
CONNECTIONS:
o EQ37 o DDC77
[ TS354 ] Animation Cs ENERGY= 377.1 kJ/mol
Energy+ZPE= 369.8 kJ/mol ZPE= 0.0487054
CONNECTIONS:
o EQ38 o EQ38
[ TS355 ] Animation Cs ENERGY= 407.2 kJ/mol
Energy+ZPE= 398.2 kJ/mol ZPE= 0.0480454
CONNECTIONS:
o EQ38 o EQ38
[ TS356 ] Animation C1 ENERGY= 416.5 kJ/mol
Energy+ZPE= 407.1 kJ/mol ZPE= 0.0479198
CONNECTIONS:
o EQ38 o EQ39
[ TS357 ] Animation C1 ENERGY= 419.4 kJ/mol
Energy+ZPE= 409.9 kJ/mol ZPE= 0.0478717
CONNECTIONS:
o EQ38 o EQ39
[ TS358 ] Animation C1 ENERGY= 479.2 kJ/mol
Energy+ZPE= 464.3 kJ/mol ZPE= 0.0457998
CONNECTIONS:
o EQ38 o EQ42
[ TS359 ] Animation C1 ENERGY= 1047.5 kJ/mol
Energy+ZPE= 1022.7 kJ/mol ZPE= 0.0420459
CONNECTIONS:
o EQ38 o EQ67
[ TS360 ] Animation C1 ENERGY= 1042.6 kJ/mol
Energy+ZPE= 1017.2 kJ/mol ZPE= 0.0418244
CONNECTIONS:
o EQ38 o EQ76
[ TS361 ] Animation C1 ENERGY= 624.7 kJ/mol
Energy+ZPE= 605.9 kJ/mol ZPE= 0.0443410
CONNECTIONS:
o EQ38 o EQ90
[ TS362 ] Animation C1 ENERGY= 628.7 kJ/mol
Energy+ZPE= 610.1 kJ/mol ZPE= 0.0443906
CONNECTIONS:
o EQ38 o EQ104
[ TS363 ] Animation C1 ENERGY= 696.0 kJ/mol
Energy+ZPE= 671.2 kJ/mol ZPE= 0.0420288
CONNECTIONS:
o EQ38 o EQ116
[ TS364 ] Animation C1 ENERGY= 878.0 kJ/mol
Energy+ZPE= 861.9 kJ/mol ZPE= 0.0453363
CONNECTIONS:
o EQ38 o EQ136
[ TS365 ] Animation C1 ENERGY= 932.9 kJ/mol
Energy+ZPE= 913.9 kJ/mol ZPE= 0.0442605
CONNECTIONS:
o EQ38 o EQ140
[ TS366 ] Animation C1 ENERGY= 1076.2 kJ/mol
Energy+ZPE= 1050.0 kJ/mol ZPE= 0.0415101
CONNECTIONS:
o EQ38 o EQ155
[ TS367 ] Animation C1 ENERGY= 634.7 kJ/mol
Energy+ZPE= 605.2 kJ/mol ZPE= 0.0402438
CONNECTIONS:
o EQ38 o DDC78
[ TS368 ] Animation Cs ENERGY= 791.0 kJ/mol
Energy+ZPE= 750.6 kJ/mol ZPE= 0.0360842
CONNECTIONS:
o EQ38 o DDC79
[ TS369 ] Animation Cs ENERGY= 381.8 kJ/mol
Energy+ZPE= 373.0 kJ/mol ZPE= 0.0481495
CONNECTIONS:
o EQ39 o EQ39
[ TS370 ] Animation Cs ENERGY= 408.3 kJ/mol
Energy+ZPE= 398.5 kJ/mol ZPE= 0.0477670
CONNECTIONS:
o EQ39 o EQ39
[ TS371 ] Animation C1 ENERGY= 476.9 kJ/mol
Energy+ZPE= 461.9 kJ/mol ZPE= 0.0457557
CONNECTIONS:
o EQ39 o EQ43
[ TS372 ] Animation C1 ENERGY= 697.5 kJ/mol
Energy+ZPE= 673.2 kJ/mol ZPE= 0.0422243
CONNECTIONS:
o EQ39 o EQ64
[ TS373 ] Animation C1 ENERGY= 699.5 kJ/mol
Energy+ZPE= 674.2 kJ/mol ZPE= 0.0418443
CONNECTIONS:
o EQ39 o EQ64
[ TS374 ] Animation C1 ENERGY= 697.2 kJ/mol
Energy+ZPE= 676.3 kJ/mol ZPE= 0.0435322
CONNECTIONS:
o EQ39 o EQ74
[ TS375 ] Animation C1 ENERGY= 712.9 kJ/mol
Energy+ZPE= 682.7 kJ/mol ZPE= 0.0399694
CONNECTIONS:
o EQ39 o EQ75
[ TS376 ] Animation C1 ENERGY= 629.2 kJ/mol
Energy+ZPE= 617.4 kJ/mol ZPE= 0.0470063
CONNECTIONS:
o EQ39 o EQ98
[ TS377 ] Animation C1 ENERGY= 641.1 kJ/mol
Energy+ZPE= 622.1 kJ/mol ZPE= 0.0442672
CONNECTIONS:
o EQ39 o EQ98
[ TS378 ] Animation C1 ENERGY= 630.9 kJ/mol
Energy+ZPE= 618.9 kJ/mol ZPE= 0.0469096
CONNECTIONS:
o EQ39 o EQ99
[ TS379 ] Animation C1 ENERGY= 637.4 kJ/mol
Energy+ZPE= 619.6 kJ/mol ZPE= 0.0446933
CONNECTIONS:
o EQ39 o EQ99
[ TS380 ] Animation C1 ENERGY= 643.3 kJ/mol
Energy+ZPE= 614.4 kJ/mol ZPE= 0.0404795
CONNECTIONS:
o EQ39 o DDC80
[ TS381 ] Animation Cs ENERGY= 658.7 kJ/mol
Energy+ZPE= 629.1 kJ/mol ZPE= 0.0402245
CONNECTIONS:
o EQ39 o DDC81
[ TS382 ] Animation C1 ENERGY= 771.2 kJ/mol
Energy+ZPE= 748.1 kJ/mol ZPE= 0.0426833
CONNECTIONS:
o EQ39 o DDC82
[ TS383 ] Animation C1 ENERGY= 809.2 kJ/mol
Energy+ZPE= 781.7 kJ/mol ZPE= 0.0410137
CONNECTIONS:
o EQ39 o DDC83
[ TS384 ] Animation Cs ENERGY= 396.1 kJ/mol
Energy+ZPE= 388.1 kJ/mol ZPE= 0.0484414
CONNECTIONS:
o EQ40 o EQ40
[ TS385 ] Animation C1 ENERGY= 425.1 kJ/mol
Energy+ZPE= 416.6 kJ/mol ZPE= 0.0482624
CONNECTIONS:
o EQ40 o EQ52
[ TS386 ] Animation C1 ENERGY= 700.5 kJ/mol
Energy+ZPE= 684.1 kJ/mol ZPE= 0.0452227
CONNECTIONS:
o EQ40 o EQ55
[ TS387 ] Animation C1 ENERGY= 624.5 kJ/mol
Energy+ZPE= 598.6 kJ/mol ZPE= 0.0416160
CONNECTIONS:
o EQ40 o EQ97
[ TS388 ] Animation C1 ENERGY= 439.9 kJ/mol
Energy+ZPE= 423.2 kJ/mol ZPE= 0.0451383
CONNECTIONS:
o EQ40 o DDC84
[ TS389 ] Animation C1 ENERGY= 520.4 kJ/mol
Energy+ZPE= 499.7 kJ/mol ZPE= 0.0436168
CONNECTIONS:
o EQ40 o DDC85
[ TS390 ] Animation Cs ENERGY= 395.6 kJ/mol
Energy+ZPE= 388.5 kJ/mol ZPE= 0.0487989
CONNECTIONS:
o EQ41 o EQ41
[ TS391 ] Animation Cs ENERGY= 416.0 kJ/mol
Energy+ZPE= 410.6 kJ/mol ZPE= 0.0494112
CONNECTIONS:
o EQ41 o EQ41
[ TS392 ] Animation Cs ENERGY= 421.2 kJ/mol
Energy+ZPE= 415.5 kJ/mol ZPE= 0.0493116
CONNECTIONS:
o EQ41 o EQ41
[ TS393 ] Animation C1 ENERGY= 527.9 kJ/mol
Energy+ZPE= 519.6 kJ/mol ZPE= 0.0483173
CONNECTIONS:
o EQ41 o EQ55
[ TS394 ] Animation C1 ENERGY= 501.1 kJ/mol
Energy+ZPE= 492.8 kJ/mol ZPE= 0.0483364
CONNECTIONS:
o EQ41 o EQ63
[ TS395 ] Animation C1 ENERGY= 982.6 kJ/mol
Energy+ZPE= 961.2 kJ/mol ZPE= 0.0433478
CONNECTIONS:
o EQ41 o EQ135
[ TS396 ] Animation C1 ENERGY= 987.9 kJ/mol
Energy+ZPE= 967.2 kJ/mol ZPE= 0.0436217
CONNECTIONS:
o EQ41 o EQ139
[ TS397 ] Animation Cs ENERGY= 762.0 kJ/mol
Energy+ZPE= 733.8 kJ/mol ZPE= 0.0407577
CONNECTIONS:
o EQ41 o DDC86
[ TS398 ] Animation C1 ENERGY= 1009.6 kJ/mol
Energy+ZPE= 986.0 kJ/mol ZPE= 0.0424859
CONNECTIONS:
o EQ41 o DDC87
[ TS399 ] Animation C1 ENERGY= 1046.6 kJ/mol
Energy+ZPE= 1026.6 kJ/mol ZPE= 0.0438782
CONNECTIONS:
o EQ41 o DDC88
[ TS400 ] Animation Cs ENERGY= 775.9 kJ/mol
Energy+ZPE= 751.3 kJ/mol ZPE= 0.0421266
CONNECTIONS:
o EQ42 o EQ42
[ TS401 ] Animation C1 ENERGY= 694.7 kJ/mol
Energy+ZPE= 671.0 kJ/mol ZPE= 0.0424662
CONNECTIONS:
o EQ42 o EQ54
[ TS402 ] Animation Cs ENERGY= 390.4 kJ/mol
Energy+ZPE= 381.9 kJ/mol ZPE= 0.0482329
CONNECTIONS:
o EQ43 o EQ43
[ TS403 ] Animation C1 ENERGY= 1053.6 kJ/mol
Energy+ZPE= 1029.2 kJ/mol ZPE= 0.0421774
CONNECTIONS:
o EQ43 o EQ62
[ TS404 ] Animation C1 ENERGY= 728.0 kJ/mol
Energy+ZPE= 705.9 kJ/mol ZPE= 0.0430828
CONNECTIONS:
o EQ43 o EQ64
[ TS405 ] Animation C1 ENERGY= 1028.8 kJ/mol
Energy+ZPE= 1004.2 kJ/mol ZPE= 0.0421082
CONNECTIONS:
o EQ43 o EQ66
[ TS406 ] Animation C1 ENERGY= 680.1 kJ/mol
Energy+ZPE= 654.5 kJ/mol ZPE= 0.0417343
CONNECTIONS:
o EQ43 o EQ75
[ TS407 ] Animation C1 ENERGY= 688.4 kJ/mol
Energy+ZPE= 662.6 kJ/mol ZPE= 0.0416757
CONNECTIONS:
o EQ43 o EQ75
[ TS408 ] Animation C1 ENERGY= 634.7 kJ/mol
Energy+ZPE= 616.1 kJ/mol ZPE= 0.0443844
CONNECTIONS:
o EQ43 o EQ91
[ TS409 ] Animation C1 ENERGY= 643.0 kJ/mol
Energy+ZPE= 625.2 kJ/mol ZPE= 0.0447224
CONNECTIONS:
o EQ43 o EQ102
[ TS410 ] Animation C1 ENERGY= 647.9 kJ/mol
Energy+ZPE= 636.1 kJ/mol ZPE= 0.0469821
CONNECTIONS:
o EQ43 o EQ102
[ TS411 ] Animation C1 ENERGY= 782.1 kJ/mol
Energy+ZPE= 759.3 kJ/mol ZPE= 0.0428217
CONNECTIONS:
o EQ43 o EQ117
[ TS412 ] Animation C1 ENERGY= 839.0 kJ/mol
Energy+ZPE= 820.3 kJ/mol ZPE= 0.0443567
CONNECTIONS:
o EQ43 o EQ121
[ TS413 ] Animation C1 ENERGY= 895.1 kJ/mol
Energy+ZPE= 876.3 kJ/mol ZPE= 0.0443290
CONNECTIONS:
o EQ43 o EQ140
[ TS414 ] Animation C1 ENERGY= 914.7 kJ/mol
Energy+ZPE= 894.8 kJ/mol ZPE= 0.0438932
CONNECTIONS:
o EQ43 o EQ140
[ TS415 ] Animation C1 ENERGY= 666.6 kJ/mol
Energy+ZPE= 640.4 kJ/mol ZPE= 0.0415044
CONNECTIONS:
o EQ43 o DDC89
[ TS416 ] Animation C1 ENERGY= 854.6 kJ/mol
Energy+ZPE= 832.9 kJ/mol ZPE= 0.0432057
CONNECTIONS:
o EQ43 o DDC90
[ TS417 ] Animation C1 ENERGY= 472.8 kJ/mol
Energy+ZPE= 460.5 kJ/mol ZPE= 0.0467996
CONNECTIONS:
o EQ44 o EQ49
[ TS418 ] Animation C1 ENERGY= 498.5 kJ/mol
Energy+ZPE= 488.5 kJ/mol ZPE= 0.0476888
CONNECTIONS:
o EQ44 o EQ50
[ TS419 ] Animation C1 ENERGY= 510.2 kJ/mol
Energy+ZPE= 499.3 kJ/mol ZPE= 0.0473471
CONNECTIONS:
o EQ44 o EQ50
[ TS420 ] Animation C1 ENERGY= 459.0 kJ/mol
Energy+ZPE= 446.3 kJ/mol ZPE= 0.0466372
CONNECTIONS:
o EQ44 o EQ60
[ TS421 ] Animation Cs ENERGY= 462.5 kJ/mol
Energy+ZPE= 451.1 kJ/mol ZPE= 0.0471390
CONNECTIONS:
o EQ44 o EQ60
[ TS422 ] Animation Cs ENERGY= 402.0 kJ/mol
Energy+ZPE= 387.0 kJ/mol ZPE= 0.0457569
CONNECTIONS:
o EQ44 o DDC91
[ TS423 ] Animation Cs ENERGY= 431.1 kJ/mol
Energy+ZPE= 414.7 kJ/mol ZPE= 0.0452253
CONNECTIONS:
o EQ44 o DDC92
[ TS424 ] Animation C2v ENERGY= 504.4 kJ/mol
Energy+ZPE= 487.4 kJ/mol ZPE= 0.0450120
CONNECTIONS:
o EQ45 o EQ45
[ TS425 ] Animation Cs ENERGY= 662.9 kJ/mol
Energy+ZPE= 644.9 kJ/mol ZPE= 0.0446232
CONNECTIONS:
o EQ45 o EQ45
[ TS426 ] Animation C1 ENERGY= 428.4 kJ/mol
Energy+ZPE= 419.5 kJ/mol ZPE= 0.0481037
CONNECTIONS:
o EQ45 o EQ57
[ TS427 ] Animation C1 ENERGY= 653.8 kJ/mol
Energy+ZPE= 640.6 kJ/mol ZPE= 0.0464573
CONNECTIONS:
o EQ45 o EQ59
[ TS428 ] Animation C1 ENERGY= 674.8 kJ/mol
Energy+ZPE= 660.3 kJ/mol ZPE= 0.0459465
CONNECTIONS:
o EQ45 o EQ59
[ TS429 ] Animation C1 ENERGY= 673.1 kJ/mol
Energy+ZPE= 658.9 kJ/mol ZPE= 0.0460759
CONNECTIONS:
o EQ45 o EQ61
[ TS430 ] Animation Cs ENERGY= 683.8 kJ/mol
Energy+ZPE= 662.0 kJ/mol ZPE= 0.0431839
CONNECTIONS:
o EQ45 o EQ87
[ TS431 ] Animation C1 ENERGY= 873.8 kJ/mol
Energy+ZPE= 850.7 kJ/mol ZPE= 0.0426911
CONNECTIONS:
o EQ45 o EQ122
[ TS432 ] Animation C1 ENERGY= 629.2 kJ/mol
Energy+ZPE= 602.5 kJ/mol ZPE= 0.0413042
CONNECTIONS:
o EQ45 o DDC93
[ TS433 ] Animation Cs ENERGY= 427.5 kJ/mol
Energy+ZPE= 419.6 kJ/mol ZPE= 0.0484640
CONNECTIONS:
o EQ46 o EQ46
[ TS434 ] Animation Cs ENERGY= 669.5 kJ/mol
Energy+ZPE= 646.5 kJ/mol ZPE= 0.0427443
CONNECTIONS:
o EQ46 o EQ46
[ TS435 ] Animation C1 ENERGY= 824.1 kJ/mol
Energy+ZPE= 798.1 kJ/mol ZPE= 0.0415954
CONNECTIONS:
o EQ46 o EQ46
[ TS436 ] Animation C1 ENERGY= 453.7 kJ/mol
Energy+ZPE= 444.0 kJ/mol ZPE= 0.0477893
CONNECTIONS:
o EQ46 o EQ47
[ TS437 ] Animation C1 ENERGY= 533.8 kJ/mol
Energy+ZPE= 526.5 kJ/mol ZPE= 0.0486879
CONNECTIONS:
o EQ46 o EQ48
[ TS438 ] Animation C1 ENERGY= 542.5 kJ/mol
Energy+ZPE= 533.1 kJ/mol ZPE= 0.0478988
CONNECTIONS:
o EQ46 o EQ48
[ TS439 ] Animation C1 ENERGY= 779.0 kJ/mol
Energy+ZPE= 754.6 kJ/mol ZPE= 0.0421811
CONNECTIONS:
o EQ46 o EQ49
[ TS440 ] Animation C1 ENERGY= 770.2 kJ/mol
Energy+ZPE= 748.5 kJ/mol ZPE= 0.0432065
CONNECTIONS:
o EQ46 o EQ51
[ TS441 ] Animation Cs ENERGY= 598.8 kJ/mol
Energy+ZPE= 582.8 kJ/mol ZPE= 0.0454100
CONNECTIONS:
o EQ46 o EQ56
[ TS442 ] Animation C1 ENERGY= 775.6 kJ/mol
Energy+ZPE= 754.1 kJ/mol ZPE= 0.0433057
CONNECTIONS:
o EQ46 o EQ78
[ TS443 ] Animation C1 ENERGY= 688.1 kJ/mol
Energy+ZPE= 673.4 kJ/mol ZPE= 0.0458994
CONNECTIONS:
o EQ46 o EQ96
[ TS444 ] Animation C1 ENERGY= 889.8 kJ/mol
Energy+ZPE= 864.9 kJ/mol ZPE= 0.0420029
CONNECTIONS:
o EQ46 o EQ113
[ TS445 ] Animation C1 ENERGY= 768.0 kJ/mol
Energy+ZPE= 751.5 kJ/mol ZPE= 0.0451993
CONNECTIONS:
o EQ46 o EQ123
[ TS446 ] Animation C1 ENERGY= 749.6 kJ/mol
Energy+ZPE= 731.9 kJ/mol ZPE= 0.0447408
CONNECTIONS:
o EQ46 o EQ126
[ TS447 ] Animation C1 ENERGY= 537.4 kJ/mol
Energy+ZPE= 517.1 kJ/mol ZPE= 0.0437700
CONNECTIONS:
o EQ46 o DDC94
[ TS448 ] Animation C1 ENERGY= 835.3 kJ/mol
Energy+ZPE= 809.5 kJ/mol ZPE= 0.0416543
CONNECTIONS:
o EQ46 o DDC95
[ TS449 ] Animation C1 ENERGY= 895.4 kJ/mol
Energy+ZPE= 854.8 kJ/mol ZPE= 0.0360086
CONNECTIONS:
o EQ46 o DDC96
[ TS450 ] Animation Cs ENERGY= 427.3 kJ/mol
Energy+ZPE= 417.2 kJ/mol ZPE= 0.0476379
CONNECTIONS:
o EQ47 o EQ47
[ TS451 ] Animation Cs ENERGY= 442.6 kJ/mol
Energy+ZPE= 431.5 kJ/mol ZPE= 0.0472433
CONNECTIONS:
o EQ47 o EQ47
[ TS452 ] Animation Cs ENERGY= 593.6 kJ/mol
Energy+ZPE= 577.4 kJ/mol ZPE= 0.0453071
CONNECTIONS:
o EQ47 o EQ48
[ TS453 ] Animation C1 ENERGY= 722.4 kJ/mol
Energy+ZPE= 699.6 kJ/mol ZPE= 0.0428131
CONNECTIONS:
o EQ47 o EQ50
[ TS454 ] Animation C1 ENERGY= 521.3 kJ/mol
Energy+ZPE= 512.2 kJ/mol ZPE= 0.0480349
CONNECTIONS:
o EQ47 o EQ56
[ TS455 ] Animation C1 ENERGY= 524.0 kJ/mol
Energy+ZPE= 514.7 kJ/mol ZPE= 0.0479634
CONNECTIONS:
o EQ47 o EQ56
[ TS456 ] Animation C1 ENERGY= 549.6 kJ/mol
Energy+ZPE= 537.7 kJ/mol ZPE= 0.0469732
CONNECTIONS:
o EQ47 o EQ56
[ TS457 ] Animation C1 ENERGY= 780.3 kJ/mol
Energy+ZPE= 758.6 kJ/mol ZPE= 0.0432220
CONNECTIONS:
o EQ47 o EQ129
[ TS458 ] Animation C1 ENERGY= 452.0 kJ/mol
Energy+ZPE= 432.3 kJ/mol ZPE= 0.0439816
CONNECTIONS:
o EQ47 o DDC97
[ TS459 ] Animation C1 ENERGY= 635.7 kJ/mol
Energy+ZPE= 615.1 kJ/mol ZPE= 0.0436496
CONNECTIONS:
o EQ47 o DDC98
[ TS460 ] Animation C1 ENERGY= 839.9 kJ/mol
Energy+ZPE= 801.8 kJ/mol ZPE= 0.0369804
CONNECTIONS:
o EQ47 o DDC99
[ TS461 ] Animation C1 ENERGY= 463.9 kJ/mol
Energy+ZPE= 452.6 kJ/mol ZPE= 0.0471908
CONNECTIONS:
o EQ48 o EQ56
[ TS462 ] Animation C1 ENERGY= 742.1 kJ/mol
Energy+ZPE= 727.1 kJ/mol ZPE= 0.0457700
CONNECTIONS:
o EQ48 o EQ123
[ TS463 ] Animation C1 ENERGY= 616.9 kJ/mol
Energy+ZPE= 594.0 kJ/mol ZPE= 0.0427526
CONNECTIONS:
o EQ48 o DDC100
[ TS464 ] Animation Cs ENERGY= 415.6 kJ/mol
Energy+ZPE= 408.5 kJ/mol ZPE= 0.0487858
CONNECTIONS:
o EQ49 o EQ49
[ TS465 ] Animation C1 ENERGY= 417.0 kJ/mol
Energy+ZPE= 410.1 kJ/mol ZPE= 0.0488520
CONNECTIONS:
o EQ49 o EQ49
[ TS466 ] Animation Cs ENERGY= 462.1 kJ/mol
Energy+ZPE= 453.4 kJ/mol ZPE= 0.0481812
CONNECTIONS:
o EQ49 o EQ49
[ TS467 ] Animation Cs ENERGY= 644.9 kJ/mol
Energy+ZPE= 633.3 kJ/mol ZPE= 0.0470510
CONNECTIONS:
o EQ49 o EQ49
[ TS468 ] Animation C1 ENERGY= 506.0 kJ/mol
Energy+ZPE= 497.9 kJ/mol ZPE= 0.0484023
CONNECTIONS:
o EQ49 o EQ51
[ TS469 ] Animation C1 ENERGY= 489.1 kJ/mol
Energy+ZPE= 475.7 kJ/mol ZPE= 0.0463789
CONNECTIONS:
o EQ49 o EQ60
[ TS470 ] Animation C1 ENERGY= 626.8 kJ/mol
Energy+ZPE= 618.3 kJ/mol ZPE= 0.0482439
CONNECTIONS:
o EQ49 o EQ96
[ TS471 ] Animation C1 ENERGY= 765.0 kJ/mol
Energy+ZPE= 741.1 kJ/mol ZPE= 0.0423940
CONNECTIONS:
o EQ49 o EQ123
[ TS472 ] Animation C1 ENERGY= 770.1 kJ/mol
Energy+ZPE= 746.7 kJ/mol ZPE= 0.0425662
CONNECTIONS:
o EQ49 o EQ123
[ TS473 ] Animation C1 ENERGY= 539.8 kJ/mol
Energy+ZPE= 519.3 kJ/mol ZPE= 0.0436751
CONNECTIONS:
o EQ49 o DDC101
[ TS474 ] Animation C1 ENERGY= 652.4 kJ/mol
Energy+ZPE= 631.2 kJ/mol ZPE= 0.0434120
CONNECTIONS:
o EQ49 o DDC102
[ TS475 ] Animation C1 ENERGY= 672.4 kJ/mol
Energy+ZPE= 650.0 kJ/mol ZPE= 0.0429663
CONNECTIONS:
o EQ49 o DDC103
[ TS476 ] Animation Cs ENERGY= 417.6 kJ/mol
Energy+ZPE= 410.6 kJ/mol ZPE= 0.0488183
CONNECTIONS:
o EQ50 o EQ50
[ TS477 ] Animation C1 ENERGY= 424.8 kJ/mol
Energy+ZPE= 417.4 kJ/mol ZPE= 0.0486548
CONNECTIONS:
o EQ50 o EQ50
[ TS478 ] Animation Cs ENERGY= 474.5 kJ/mol
Energy+ZPE= 463.8 kJ/mol ZPE= 0.0474247
CONNECTIONS:
o EQ50 o EQ50
[ TS479 ] Animation Cs ENERGY= 476.4 kJ/mol
Energy+ZPE= 465.2 kJ/mol ZPE= 0.0472025
CONNECTIONS:
o EQ50 o EQ50
[ TS480 ] Animation C1 ENERGY= 483.1 kJ/mol
Energy+ZPE= 472.3 kJ/mol ZPE= 0.0473658
CONNECTIONS:
o EQ50 o EQ51
[ TS481 ] Animation C1 ENERGY= 485.7 kJ/mol
Energy+ZPE= 474.8 kJ/mol ZPE= 0.0473369
CONNECTIONS:
o EQ50 o EQ51
[ TS482 ] Animation C1 ENERGY= 569.7 kJ/mol
Energy+ZPE= 549.0 kJ/mol ZPE= 0.0436206
CONNECTIONS:
o EQ50 o EQ62
[ TS483 ] Animation C1 ENERGY= 798.2 kJ/mol
Energy+ZPE= 771.7 kJ/mol ZPE= 0.0414040
CONNECTIONS:
o EQ50 o EQ129
[ TS484 ] Animation C1 ENERGY= 557.6 kJ/mol
Energy+ZPE= 535.1 kJ/mol ZPE= 0.0429013
CONNECTIONS:
o EQ50 o DDC104
[ TS485 ] Animation C1 ENERGY= 598.7 kJ/mol
Energy+ZPE= 589.7 kJ/mol ZPE= 0.0480594
CONNECTIONS:
o EQ50 o DDC105
[ TS486 ] Animation C1 ENERGY= 674.0 kJ/mol
Energy+ZPE= 651.6 kJ/mol ZPE= 0.0429684
CONNECTIONS:
o EQ50 o DDC106
[ TS487 ] Animation Cs ENERGY= 422.8 kJ/mol
Energy+ZPE= 417.3 kJ/mol ZPE= 0.0493916
CONNECTIONS:
o EQ51 o EQ51
[ TS488 ] Animation C1 ENERGY= 425.3 kJ/mol
Energy+ZPE= 419.7 kJ/mol ZPE= 0.0493601
CONNECTIONS:
o EQ51 o EQ51
[ TS489 ] Animation Cs ENERGY= 475.2 kJ/mol
Energy+ZPE= 466.3 kJ/mol ZPE= 0.0480938
CONNECTIONS:
o EQ51 o EQ51
[ TS490 ] Animation C1 ENERGY= 572.1 kJ/mol
Energy+ZPE= 552.4 kJ/mol ZPE= 0.0439943
CONNECTIONS:
o EQ51 o EQ66
[ TS491 ] Animation C1 ENERGY= 783.4 kJ/mol
Energy+ZPE= 758.6 kJ/mol ZPE= 0.0420303
CONNECTIONS:
o EQ51 o EQ126
[ TS492 ] Animation C1 ENERGY= 1137.4 kJ/mol
Energy+ZPE= 1115.5 kJ/mol ZPE= 0.0431409
CONNECTIONS:
o EQ51 o EQ146
[ TS493 ] Animation Cs ENERGY= 747.3 kJ/mol
Energy+ZPE= 724.5 kJ/mol ZPE= 0.0428113
CONNECTIONS:
o EQ52 o EQ96
[ TS494 ] Animation C1 ENERGY= 521.5 kJ/mol
Energy+ZPE= 500.7 kJ/mol ZPE= 0.0435510
CONNECTIONS:
o EQ52 o DDC107
[ TS495 ] Animation C1 ENERGY= 543.9 kJ/mol
Energy+ZPE= 522.5 kJ/mol ZPE= 0.0433370
CONNECTIONS:
o EQ52 o DDC108
[ TS496 ] Animation C1 ENERGY= 598.1 kJ/mol
Energy+ZPE= 565.0 kJ/mol ZPE= 0.0388622
CONNECTIONS:
o EQ52 o DDC109
[ TS497 ] Animation C1 ENERGY= 615.4 kJ/mol
Energy+ZPE= 582.7 kJ/mol ZPE= 0.0390304
CONNECTIONS:
o EQ52 o DDC110
[ TS498 ] Animation Cs ENERGY= 578.7 kJ/mol
Energy+ZPE= 556.5 kJ/mol ZPE= 0.0430237
CONNECTIONS:
o EQ53 o EQ53
[ TS499 ] Animation Cs ENERGY= 581.6 kJ/mol
Energy+ZPE= 558.4 kJ/mol ZPE= 0.0426671
CONNECTIONS:
o EQ53 o EQ53
[ TS500 ] Animation C1 ENERGY= 541.6 kJ/mol
Energy+ZPE= 519.6 kJ/mol ZPE= 0.0431030
CONNECTIONS:
o EQ53 o EQ81
[ TS501 ] Animation C1 ENERGY= 549.5 kJ/mol
Energy+ZPE= 526.2 kJ/mol ZPE= 0.0426233
CONNECTIONS:
o EQ53 o DDC111
[ TS502 ] Animation C1 ENERGY= 936.4 kJ/mol
Energy+ZPE= 910.9 kJ/mol ZPE= 0.0417659
CONNECTIONS:
o EQ53 o DDC112
[ TS503 ] Animation Cs ENERGY= 424.8 kJ/mol
Energy+ZPE= 412.4 kJ/mol ZPE= 0.0467818
CONNECTIONS:
o EQ54 o EQ54
[ TS504 ] Animation Cs ENERGY= 470.1 kJ/mol
Energy+ZPE= 455.6 kJ/mol ZPE= 0.0459822
CONNECTIONS:
o EQ54 o EQ54
[ TS505 ] Animation Cs ENERGY= 531.4 kJ/mol
Energy+ZPE= 516.2 kJ/mol ZPE= 0.0457083
CONNECTIONS:
o EQ54 o EQ54
[ TS506 ] Animation C1 ENERGY= 559.2 kJ/mol
Energy+ZPE= 548.3 kJ/mol ZPE= 0.0473245
CONNECTIONS:
o EQ54 o EQ64
[ TS507 ] Animation C1 ENERGY= 707.1 kJ/mol
Energy+ZPE= 688.0 kJ/mol ZPE= 0.0441950
CONNECTIONS:
o EQ54 o EQ112
[ TS508 ] Animation C1 ENERGY= 427.1 kJ/mol
Energy+ZPE= 410.6 kJ/mol ZPE= 0.0452034
CONNECTIONS:
o EQ54 o DDC113
[ TS509 ] Animation C1 ENERGY= 729.4 kJ/mol
Energy+ZPE= 707.1 kJ/mol ZPE= 0.0429765
CONNECTIONS:
o EQ54 o DDC114
[ TS510 ] Animation Cs ENERGY= 505.1 kJ/mol
Energy+ZPE= 496.4 kJ/mol ZPE= 0.0481703
CONNECTIONS:
o EQ55 o EQ55
[ TS511 ] Animation C1 ENERGY= 758.6 kJ/mol
Energy+ZPE= 741.7 kJ/mol ZPE= 0.0450498
CONNECTIONS:
o EQ55 o EQ63
[ TS512 ] Animation C1 ENERGY= 734.1 kJ/mol
Energy+ZPE= 715.3 kJ/mol ZPE= 0.0443423
CONNECTIONS:
o EQ55 o EQ120
[ TS513 ] Animation C1 ENERGY= 777.7 kJ/mol
Energy+ZPE= 758.7 kJ/mol ZPE= 0.0442555
CONNECTIONS:
o EQ55 o EQ125
[ TS514 ] Animation C1 ENERGY= 1066.1 kJ/mol
Energy+ZPE= 1045.7 kJ/mol ZPE= 0.0437334
CONNECTIONS:
o EQ55 o EQ135
[ TS515 ] Animation C1 ENERGY= 1095.6 kJ/mol
Energy+ZPE= 1071.7 kJ/mol ZPE= 0.0423999
CONNECTIONS:
o EQ55 o EQ139
[ TS516 ] Animation C1 ENERGY= 1034.2 kJ/mol
Energy+ZPE= 1009.4 kJ/mol ZPE= 0.0420472
CONNECTIONS:
o EQ55 o EQ140
[ TS517 ] Animation C1 ENERGY= 1059.1 kJ/mol
Energy+ZPE= 1037.5 kJ/mol ZPE= 0.0432497
CONNECTIONS:
o EQ55 o EQ147
[ TS518 ] Animation C1 ENERGY= 903.6 kJ/mol
Energy+ZPE= 885.6 kJ/mol ZPE= 0.0446291
CONNECTIONS:
o EQ55 o DDC115
[ TS519 ] Animation C1 ENERGY= 588.3 kJ/mol
Energy+ZPE= 565.3 kJ/mol ZPE= 0.0427325
CONNECTIONS:
o EQ56 o DDC116
[ TS520 ] Animation C1 ENERGY= 594.1 kJ/mol
Energy+ZPE= 571.4 kJ/mol ZPE= 0.0428352
CONNECTIONS:
o EQ56 o DDC117
[ TS521 ] Animation C1 ENERGY= 600.5 kJ/mol
Energy+ZPE= 567.1 kJ/mol ZPE= 0.0387829
CONNECTIONS:
o EQ56 o DDC118
[ TS522 ] Animation C1 ENERGY= 738.0 kJ/mol
Energy+ZPE= 721.2 kJ/mol ZPE= 0.0450830
CONNECTIONS:
o EQ56 o DDC119
[ TS523 ] Animation C1 ENERGY= 804.1 kJ/mol
Energy+ZPE= 783.6 kJ/mol ZPE= 0.0436615
CONNECTIONS:
o EQ56 o DDC120
[ TS524 ] Animation Cs ENERGY= 428.1 kJ/mol
Energy+ZPE= 419.2 kJ/mol ZPE= 0.0481117
CONNECTIONS:
o EQ57 o EQ57
[ TS525 ] Animation Cs ENERGY= 633.8 kJ/mol
Energy+ZPE= 618.0 kJ/mol ZPE= 0.0454617
CONNECTIONS:
o EQ57 o EQ57
[ TS526 ] Animation Cs ENERGY= 682.3 kJ/mol
Energy+ZPE= 663.3 kJ/mol ZPE= 0.0442378
CONNECTIONS:
o EQ57 o EQ71
[ TS527 ] Animation Cs ENERGY= 702.7 kJ/mol
Energy+ZPE= 681.3 kJ/mol ZPE= 0.0433456
CONNECTIONS:
o EQ57 o EQ89
[ TS528 ] Animation C1 ENERGY= 925.0 kJ/mol
Energy+ZPE= 907.1 kJ/mol ZPE= 0.0446637
CONNECTIONS:
o EQ57 o DDC121
[ TS529 ] Animation C1 ENERGY= 503.5 kJ/mol
Energy+ZPE= 476.8 kJ/mol ZPE= 0.0413315
CONNECTIONS:
o EQ58 o DDC122
[ TS530 ] Animation C1 ENERGY= 680.8 kJ/mol
Energy+ZPE= 646.8 kJ/mol ZPE= 0.0385223
CONNECTIONS:
o EQ58 o DDC123
[ TS531 ] Animation C1 ENERGY= 468.7 kJ/mol
Energy+ZPE= 459.6 kJ/mol ZPE= 0.0480076
CONNECTIONS:
o EQ59 o EQ61
[ TS532 ] Animation C1 ENERGY= 481.1 kJ/mol
Energy+ZPE= 471.7 kJ/mol ZPE= 0.0479153
CONNECTIONS:
o EQ59 o EQ61
[ TS533 ] Animation C1 ENERGY= 701.4 kJ/mol
Energy+ZPE= 691.9 kJ/mol ZPE= 0.0478696
CONNECTIONS:
o EQ59 o EQ61
[ TS534 ] Animation C1 ENERGY= 793.5 kJ/mol
Energy+ZPE= 763.9 kJ/mol ZPE= 0.0402174
CONNECTIONS:
o EQ59 o EQ82
[ TS535 ] Animation C1 ENERGY= 630.8 kJ/mol
Energy+ZPE= 616.1 kJ/mol ZPE= 0.0459026
CONNECTIONS:
o EQ59 o EQ86
[ TS536 ] Animation C1 ENERGY= 755.8 kJ/mol
Energy+ZPE= 739.1 kJ/mol ZPE= 0.0451314
CONNECTIONS:
o EQ59 o EQ121
[ TS537 ] Animation C1 ENERGY= 763.3 kJ/mol
Energy+ZPE= 745.6 kJ/mol ZPE= 0.0447354
CONNECTIONS:
o EQ59 o EQ121
[ TS538 ] Animation C1 ENERGY= 771.8 kJ/mol
Energy+ZPE= 749.3 kJ/mol ZPE= 0.0429169
CONNECTIONS:
o EQ59 o EQ124
[ TS539 ] Animation C1 ENERGY= 705.2 kJ/mol
Energy+ZPE= 684.2 kJ/mol ZPE= 0.0434787
CONNECTIONS:
o EQ59 o DDC124
[ TS540 ] Animation C1 ENERGY= 735.5 kJ/mol
Energy+ZPE= 708.7 kJ/mol ZPE= 0.0412874
CONNECTIONS:
o EQ59 o DDC125
[ TS541 ] Animation Cs ENERGY= 476.7 kJ/mol
Energy+ZPE= 457.5 kJ/mol ZPE= 0.0441770
CONNECTIONS:
o EQ60 o DDC126
[ TS542 ] Animation C1 ENERGY= 640.8 kJ/mol
Energy+ZPE= 605.3 kJ/mol ZPE= 0.0379725
CONNECTIONS:
o EQ60 o DDC127
[ TS543 ] Animation C1 ENERGY= 596.7 kJ/mol
Energy+ZPE= 576.4 kJ/mol ZPE= 0.0437624
CONNECTIONS:
o EQ61 o DDC128
[ TS544 ] Animation C1 ENERGY= 622.0 kJ/mol
Energy+ZPE= 592.5 kJ/mol ZPE= 0.0402403
CONNECTIONS:
o EQ61 o DDC129
[ TS545 ] Animation C1 ENERGY= 492.0 kJ/mol
Energy+ZPE= 479.9 kJ/mol ZPE= 0.0468808
CONNECTIONS:
o EQ62 o EQ66
[ TS546 ] Animation C1 ENERGY= 515.5 kJ/mol
Energy+ZPE= 502.5 kJ/mol ZPE= 0.0465447
CONNECTIONS:
o EQ62 o EQ68
[ TS547 ] Animation C1 ENERGY= 1034.9 kJ/mol
Energy+ZPE= 1010.5 kJ/mol ZPE= 0.0422120
CONNECTIONS:
o EQ62 o DDC130
[ TS548 ] Animation Cs ENERGY= 474.2 kJ/mol
Energy+ZPE= 465.0 kJ/mol ZPE= 0.0479721
CONNECTIONS:
o EQ63 o EQ63
[ TS549 ] Animation Cs ENERGY= 526.7 kJ/mol
Energy+ZPE= 517.1 kJ/mol ZPE= 0.0478148
CONNECTIONS:
o EQ63 o EQ63
[ TS550 ] Animation Cs ENERGY= 529.3 kJ/mol
Energy+ZPE= 519.5 kJ/mol ZPE= 0.0477512
CONNECTIONS:
o EQ63 o EQ63
[ TS551 ] Animation Cs ENERGY= 570.2 kJ/mol
Energy+ZPE= 551.1 kJ/mol ZPE= 0.0442141
CONNECTIONS:
o EQ63 o EQ64
[ TS552 ] Animation C1 ENERGY= 1048.3 kJ/mol
Energy+ZPE= 1026.5 kJ/mol ZPE= 0.0431867
CONNECTIONS:
o EQ63 o EQ146
[ TS553 ] Animation C1 ENERGY= 1089.1 kJ/mol
Energy+ZPE= 1061.9 kJ/mol ZPE= 0.0411208
CONNECTIONS:
o EQ63 o EQ146
[ TS554 ] Animation C1 ENERGY= 779.6 kJ/mol
Energy+ZPE= 758.6 kJ/mol ZPE= 0.0434929
CONNECTIONS:
o EQ63 o DDC131
[ TS555 ] Animation C1 ENERGY= 863.3 kJ/mol
Energy+ZPE= 838.3 kJ/mol ZPE= 0.0419606
CONNECTIONS:
o EQ63 o DDC132
[ TS556 ] Animation Cs ENERGY= 586.5 kJ/mol
Energy+ZPE= 574.1 kJ/mol ZPE= 0.0467630
CONNECTIONS:
o EQ64 o EQ64
[ TS557 ] Animation Cs ENERGY= 594.1 kJ/mol
Energy+ZPE= 580.1 kJ/mol ZPE= 0.0461477
CONNECTIONS:
o EQ64 o EQ64
[ TS558 ] Animation C1 ENERGY= 489.6 kJ/mol
Energy+ZPE= 478.9 kJ/mol ZPE= 0.0474125
CONNECTIONS:
o EQ64 o EQ69
[ TS559 ] Animation C1 ENERGY= 720.5 kJ/mol
Energy+ZPE= 710.4 kJ/mol ZPE= 0.0476455
CONNECTIONS:
o EQ64 o EQ112
[ TS560 ] Animation C1 ENERGY= 760.9 kJ/mol
Energy+ZPE= 748.4 kJ/mol ZPE= 0.0467255
CONNECTIONS:
o EQ64 o EQ128
[ TS561 ] Animation C1 ENERGY= 773.5 kJ/mol
Energy+ZPE= 760.0 kJ/mol ZPE= 0.0463459
CONNECTIONS:
o EQ64 o EQ128
[ TS562 ] Animation C1 ENERGY= 782.1 kJ/mol
Energy+ZPE= 761.4 kJ/mol ZPE= 0.0436104
CONNECTIONS:
o EQ64 o EQ128
[ TS563 ] Animation C1 ENERGY= 701.9 kJ/mol
Energy+ZPE= 675.3 kJ/mol ZPE= 0.0413740
CONNECTIONS:
o EQ64 o DDC133
[ TS564 ] Animation C1 ENERGY= 753.1 kJ/mol
Energy+ZPE= 740.9 kJ/mol ZPE= 0.0468415
CONNECTIONS:
o EQ64 o DDC134
[ TS565 ] Animation C1 ENERGY= 543.7 kJ/mol
Energy+ZPE= 530.9 kJ/mol ZPE= 0.0466001
CONNECTIONS:
o EQ65 o EQ67
[ TS566 ] Animation Cs ENERGY= 565.5 kJ/mol
Energy+ZPE= 551.6 kJ/mol ZPE= 0.0461799
CONNECTIONS:
o EQ65 o EQ76
[ TS567 ] Animation C1 ENERGY= 1029.8 kJ/mol
Energy+ZPE= 1004.4 kJ/mol ZPE= 0.0418137
CONNECTIONS:
o EQ65 o EQ152
[ TS568 ] Animation C1 ENERGY= 824.2 kJ/mol
Energy+ZPE= 798.2 kJ/mol ZPE= 0.0415656
CONNECTIONS:
o EQ65 o DDC135
[ TS569 ] Animation Cs ENERGY= 562.5 kJ/mol
Energy+ZPE= 548.8 kJ/mol ZPE= 0.0462807
CONNECTIONS:
o EQ66 o EQ67
[ TS570 ] Animation C1 ENERGY= 532.2 kJ/mol
Energy+ZPE= 518.6 kJ/mol ZPE= 0.0463112
CONNECTIONS:
o EQ66 o EQ76
[ TS571 ] Animation C1 ENERGY= 1039.0 kJ/mol
Energy+ZPE= 1014.6 kJ/mol ZPE= 0.0421836
CONNECTIONS:
o EQ66 o EQ154
[ TS572 ] Animation C1 ENERGY= 678.0 kJ/mol
Energy+ZPE= 653.3 kJ/mol ZPE= 0.0420848
CONNECTIONS:
o EQ66 o DDC136
[ TS573 ] Animation C1 ENERGY= 812.7 kJ/mol
Energy+ZPE= 776.6 kJ/mol ZPE= 0.0377232
CONNECTIONS:
o EQ66 o DDC137
[ TS574 ] Animation C1 ENERGY= 667.5 kJ/mol
Energy+ZPE= 645.0 kJ/mol ZPE= 0.0429139
CONNECTIONS:
o EQ67 o DDC138
[ TS575 ] Animation C1 ENERGY= 683.0 kJ/mol
Energy+ZPE= 663.2 kJ/mol ZPE= 0.0439396
CONNECTIONS:
o EQ67 o DDC139
[ TS576 ] Animation C1 ENERGY= 819.7 kJ/mol
Energy+ZPE= 784.0 kJ/mol ZPE= 0.0379063
CONNECTIONS:
o EQ67 o DDC140
[ TS577 ] Animation C1 ENERGY= 823.7 kJ/mol
Energy+ZPE= 797.3 kJ/mol ZPE= 0.0414419
CONNECTIONS:
o EQ67 o DDC141
[ TS578 ] Animation C1 ENERGY= 831.6 kJ/mol
Energy+ZPE= 816.8 kJ/mol ZPE= 0.0458313
CONNECTIONS:
o EQ67 o DDC142
[ TS579 ] Animation C1 ENERGY= 832.3 kJ/mol
Energy+ZPE= 816.9 kJ/mol ZPE= 0.0456207
CONNECTIONS:
o EQ67 o DDC143
[ TS580 ] Animation C1 ENERGY= 914.9 kJ/mol
Energy+ZPE= 893.6 kJ/mol ZPE= 0.0433743
CONNECTIONS:
o EQ67 o DDC144
[ TS581 ] Animation C1 ENERGY= 509.4 kJ/mol
Energy+ZPE= 496.2 kJ/mol ZPE= 0.0464710
CONNECTIONS:
o EQ68 o EQ76
[ TS582 ] Animation C1 ENERGY= 650.6 kJ/mol
Energy+ZPE= 632.5 kJ/mol ZPE= 0.0446092
CONNECTIONS:
o EQ68 o DDC145
[ TS583 ] Animation Cs ENERGY= 599.5 kJ/mol
Energy+ZPE= 585.6 kJ/mol ZPE= 0.0461859
CONNECTIONS:
o EQ69 o EQ69
[ TS584 ] Animation Cs ENERGY= 653.3 kJ/mol
Energy+ZPE= 646.6 kJ/mol ZPE= 0.0489224
CONNECTIONS:
o EQ70 o EQ70
[ TS585 ] Animation Cs ENERGY= 862.2 kJ/mol
Energy+ZPE= 845.2 kJ/mol ZPE= 0.0450072
CONNECTIONS:
o EQ70 o EQ133
[ TS586 ] Animation C1 ENERGY= 628.6 kJ/mol
Energy+ZPE= 616.7 kJ/mol ZPE= 0.0469457
CONNECTIONS:
o EQ70 o DDC146
[ TS587 ] Animation C1 ENERGY= 629.9 kJ/mol
Energy+ZPE= 619.6 kJ/mol ZPE= 0.0475499
CONNECTIONS:
o EQ70 o DDC147
[ TS588 ] Animation C1 ENERGY= 636.9 kJ/mol
Energy+ZPE= 625.6 kJ/mol ZPE= 0.0471937
CONNECTIONS:
o EQ70 o DDC148
[ TS589 ] Animation C1 ENERGY= 648.0 kJ/mol
Energy+ZPE= 634.8 kJ/mol ZPE= 0.0464614
CONNECTIONS:
o EQ70 o DDC149
[ TS590 ] Animation C1 ENERGY= 654.2 kJ/mol
Energy+ZPE= 643.9 kJ/mol ZPE= 0.0475756
CONNECTIONS:
o EQ70 o DDC150
[ TS591 ] Animation Cs ENERGY= 846.0 kJ/mol
Energy+ZPE= 817.9 kJ/mol ZPE= 0.0407801
CONNECTIONS:
o EQ70 o DDC151
[ TS592 ] Animation Cs ENERGY= 852.4 kJ/mol
Energy+ZPE= 825.5 kJ/mol ZPE= 0.0412470
CONNECTIONS:
o EQ70 o DDC152
[ TS593 ] Animation Cs ENERGY= 498.3 kJ/mol
Energy+ZPE= 486.6 kJ/mol ZPE= 0.0470438
CONNECTIONS:
o EQ71 o EQ71
[ TS594 ] Animation Cs ENERGY= 533.7 kJ/mol
Energy+ZPE= 520.7 kJ/mol ZPE= 0.0465426
CONNECTIONS:
o EQ71 o EQ71
[ TS595 ] Animation C1 ENERGY= 532.2 kJ/mol
Energy+ZPE= 520.1 kJ/mol ZPE= 0.0468835
CONNECTIONS:
o EQ71 o EQ77
[ TS596 ] Animation C1 ENERGY= 545.6 kJ/mol
Energy+ZPE= 532.9 kJ/mol ZPE= 0.0466368
CONNECTIONS:
o EQ71 o EQ77
[ TS597 ] Animation C1 ENERGY= 636.5 kJ/mol
Energy+ZPE= 618.3 kJ/mol ZPE= 0.0445496
CONNECTIONS:
o EQ71 o EQ77
[ TS598 ] Animation C1 ENERGY= 778.5 kJ/mol
Energy+ZPE= 752.9 kJ/mol ZPE= 0.0417207
CONNECTIONS:
o EQ71 o EQ77
[ TS599 ] Animation C1 ENERGY= 676.0 kJ/mol
Energy+ZPE= 656.2 kJ/mol ZPE= 0.0439556
CONNECTIONS:
o EQ71 o EQ88
[ TS600 ] Animation C1 ENERGY= 833.5 kJ/mol
Energy+ZPE= 803.6 kJ/mol ZPE= 0.0400809
CONNECTIONS:
o EQ71 o EQ113
[ TS601 ] Animation C1 ENERGY= 788.5 kJ/mol
Energy+ZPE= 769.2 kJ/mol ZPE= 0.0441197
CONNECTIONS:
o EQ71 o EQ121
[ TS602 ] Animation C1 ENERGY= 625.6 kJ/mol
Energy+ZPE= 599.7 kJ/mol ZPE= 0.0416034
CONNECTIONS:
o EQ71 o DDC153
[ TS603 ] Animation C1 ENERGY= 707.1 kJ/mol
Energy+ZPE= 680.2 kJ/mol ZPE= 0.0412264
CONNECTIONS:
o EQ71 o DDC154
[ TS604 ] Animation C1 ENERGY= 734.8 kJ/mol
Energy+ZPE= 712.6 kJ/mol ZPE= 0.0430393
CONNECTIONS:
o EQ71 o DDC155
[ TS605 ] Animation C2 ENERGY= 500.5 kJ/mol
Energy+ZPE= 479.7 kJ/mol ZPE= 0.0435783
CONNECTIONS:
o EQ72 o EQ72
[ TS606 ] Animation C1 ENERGY= 501.6 kJ/mol
Energy+ZPE= 481.9 kJ/mol ZPE= 0.0439750
CONNECTIONS:
o EQ72 o EQ74
[ TS607 ] Animation C1 ENERGY= 502.3 kJ/mol
Energy+ZPE= 482.0 kJ/mol ZPE= 0.0437673
CONNECTIONS:
o EQ72 o EQ74
[ TS608 ] Animation C1 ENERGY= 709.4 kJ/mol
Energy+ZPE= 679.2 kJ/mol ZPE= 0.0399754
CONNECTIONS:
o EQ72 o EQ115
[ TS609 ] Animation Cs ENERGY= 557.5 kJ/mol
Energy+ZPE= 547.5 kJ/mol ZPE= 0.0476808
CONNECTIONS:
o EQ73 o EQ73
[ TS610 ] Animation C1 ENERGY= 531.2 kJ/mol
Energy+ZPE= 520.8 kJ/mol ZPE= 0.0475294
CONNECTIONS:
o EQ73 o EQ78
[ TS611 ] Animation C1 ENERGY= 555.4 kJ/mol
Energy+ZPE= 543.5 kJ/mol ZPE= 0.0469615
CONNECTIONS:
o EQ73 o EQ78
[ TS612 ] Animation C1 ENERGY= 601.7 kJ/mol
Energy+ZPE= 580.4 kJ/mol ZPE= 0.0433730
CONNECTIONS:
o EQ73 o DDC156
[ TS613 ] Animation C1 ENERGY= 654.4 kJ/mol
Energy+ZPE= 626.8 kJ/mol ZPE= 0.0409914
CONNECTIONS:
o EQ74 o EQ111
[ TS614 ] Animation C1 ENERGY= 704.1 kJ/mol
Energy+ZPE= 674.2 kJ/mol ZPE= 0.0400904
CONNECTIONS:
o EQ74 o EQ111
[ TS615 ] Animation C1 ENERGY= 629.8 kJ/mol
Energy+ZPE= 599.6 kJ/mol ZPE= 0.0399861
CONNECTIONS:
o EQ74 o DDC157
[ TS616 ] Animation Cs ENERGY= 505.2 kJ/mol
Energy+ZPE= 484.0 kJ/mol ZPE= 0.0434282
CONNECTIONS:
o EQ75 o EQ75
[ TS617 ] Animation C1 ENERGY= 677.1 kJ/mol
Energy+ZPE= 651.8 kJ/mol ZPE= 0.0418593
CONNECTIONS:
o EQ75 o EQ91
[ TS618 ] Animation C1 ENERGY= 677.4 kJ/mol
Energy+ZPE= 652.2 kJ/mol ZPE= 0.0418850
CONNECTIONS:
o EQ75 o EQ91
[ TS619 ] Animation C1 ENERGY= 512.7 kJ/mol
Energy+ZPE= 491.3 kJ/mol ZPE= 0.0433473
CONNECTIONS:
o EQ75 o DDC158
[ TS620 ] Animation C1 ENERGY= 858.4 kJ/mol
Energy+ZPE= 830.2 kJ/mol ZPE= 0.0407392
CONNECTIONS:
o EQ76 o EQ126
[ TS621 ] Animation C1 ENERGY= 1057.7 kJ/mol
Energy+ZPE= 1031.4 kJ/mol ZPE= 0.0414681
CONNECTIONS:
o EQ76 o EQ154
[ TS622 ] Animation C1 ENERGY= 667.1 kJ/mol
Energy+ZPE= 647.6 kJ/mol ZPE= 0.0440439
CONNECTIONS:
o EQ76 o DDC159
[ TS623 ] Animation C1 ENERGY= 831.9 kJ/mol
Energy+ZPE= 797.4 kJ/mol ZPE= 0.0383456
CONNECTIONS:
o EQ76 o DDC160
[ TS624 ] Animation Cs ENERGY= 511.9 kJ/mol
Energy+ZPE= 499.6 kJ/mol ZPE= 0.0468133
CONNECTIONS:
o EQ77 o EQ77
[ TS625 ] Animation Cs ENERGY= 516.4 kJ/mol
Energy+ZPE= 504.2 kJ/mol ZPE= 0.0468369
CONNECTIONS:
o EQ77 o EQ77
[ TS626 ] Animation C1 ENERGY= 842.1 kJ/mol
Energy+ZPE= 813.0 kJ/mol ZPE= 0.0403901
CONNECTIONS:
o EQ77 o EQ116
[ TS627 ] Animation C1 ENERGY= 886.0 kJ/mol
Energy+ZPE= 859.2 kJ/mol ZPE= 0.0412774
CONNECTIONS:
o EQ77 o EQ117
[ TS628 ] Animation C1 ENERGY= 754.0 kJ/mol
Energy+ZPE= 735.3 kJ/mol ZPE= 0.0443620
CONNECTIONS:
o EQ77 o EQ121
[ TS629 ] Animation C1 ENERGY= 709.1 kJ/mol
Energy+ZPE= 680.9 kJ/mol ZPE= 0.0407589
CONNECTIONS:
o EQ77 o DDC161
[ TS630 ] Animation C1 ENERGY= 767.4 kJ/mol
Energy+ZPE= 746.8 kJ/mol ZPE= 0.0436486
CONNECTIONS:
o EQ77 o DDC162
[ TS631 ] Animation C1 ENERGY= 942.5 kJ/mol
Energy+ZPE= 903.2 kJ/mol ZPE= 0.0365179
CONNECTIONS:
o EQ77 o DDC163
[ TS632 ] Animation C1 ENERGY= 615.3 kJ/mol
Energy+ZPE= 593.3 kJ/mol ZPE= 0.0430956
CONNECTIONS:
o EQ78 o DDC164
[ TS633 ] Animation C1 ENERGY= 1004.3 kJ/mol
Energy+ZPE= 974.1 kJ/mol ZPE= 0.0399705
CONNECTIONS:
o EQ79 o EQ121
[ TS634 ] Animation C1 ENERGY= 524.6 kJ/mol
Energy+ZPE= 514.1 kJ/mol ZPE= 0.0474782
CONNECTIONS:
o EQ79 o DDC165
[ TS635 ] Animation C1 ENERGY= 543.7 kJ/mol
Energy+ZPE= 531.4 kJ/mol ZPE= 0.0468115
CONNECTIONS:
o EQ79 o DDC166
[ TS636 ] Animation C1 ENERGY= 531.4 kJ/mol
Energy+ZPE= 516.5 kJ/mol ZPE= 0.0458065
CONNECTIONS:
o EQ80 o EQ80
[ TS637 ] Animation Cs ENERGY= 981.0 kJ/mol
Energy+ZPE= 957.3 kJ/mol ZPE= 0.0424705
CONNECTIONS:
o EQ80 o EQ141
[ TS638 ] Animation Cs ENERGY= 1040.8 kJ/mol
Energy+ZPE= 1014.2 kJ/mol ZPE= 0.0413731
CONNECTIONS:
o EQ80 o EQ141
[ TS639 ] Animation C1 ENERGY= 542.7 kJ/mol
Energy+ZPE= 527.5 kJ/mol ZPE= 0.0456883
CONNECTIONS:
o EQ80 o DDC167
[ TS640 ] Animation C1 ENERGY= 641.7 kJ/mol
Energy+ZPE= 612.6 kJ/mol ZPE= 0.0404112
CONNECTIONS:
o EQ81 o DDC168
[ TS641 ] Animation Cs ENERGY= 764.6 kJ/mol
Energy+ZPE= 745.3 kJ/mol ZPE= 0.0441180
CONNECTIONS:
o EQ82 o EQ82
[ TS642 ] Animation Cs ENERGY= 665.1 kJ/mol
Energy+ZPE= 648.0 kJ/mol ZPE= 0.0449706
CONNECTIONS:
o EQ82 o EQ86
[ TS643 ] Animation Cs ENERGY= 949.1 kJ/mol
Energy+ZPE= 926.8 kJ/mol ZPE= 0.0430061
CONNECTIONS:
o EQ82 o EQ142
[ TS644 ] Animation C1 ENERGY= 600.2 kJ/mol
Energy+ZPE= 581.6 kJ/mol ZPE= 0.0443960
CONNECTIONS:
o EQ82 o DDC169
[ TS645 ] Animation C1 ENERGY= 725.7 kJ/mol
Energy+ZPE= 711.3 kJ/mol ZPE= 0.0460008
CONNECTIONS:
o EQ82 o DDC170
[ TS646 ] Animation C1 ENERGY= 739.4 kJ/mol
Energy+ZPE= 725.1 kJ/mol ZPE= 0.0460435
CONNECTIONS:
o EQ82 o DDC171
[ TS647 ] Animation C1 ENERGY= 740.3 kJ/mol
Energy+ZPE= 715.6 kJ/mol ZPE= 0.0420724
CONNECTIONS:
o EQ82 o DDC172
[ TS648 ] Animation C1 ENERGY= 787.4 kJ/mol
Energy+ZPE= 758.4 kJ/mol ZPE= 0.0404264
CONNECTIONS:
o EQ82 o DDC173
[ TS649 ] Animation C1 ENERGY= 803.8 kJ/mol
Energy+ZPE= 784.1 kJ/mol ZPE= 0.0439733
CONNECTIONS:
o EQ82 o DDC174
[ TS650 ] Animation C1 ENERGY= 578.3 kJ/mol
Energy+ZPE= 561.2 kJ/mol ZPE= 0.0449695
CONNECTIONS:
o EQ84 o DDC175
[ TS651 ] Animation C1 ENERGY= 624.9 kJ/mol
Energy+ZPE= 599.3 kJ/mol ZPE= 0.0417437
CONNECTIONS:
o EQ84 o DDC176
[ TS652 ] Animation Cs ENERGY= 674.3 kJ/mol
Energy+ZPE= 666.2 kJ/mol ZPE= 0.0484117
CONNECTIONS:
o EQ85 o EQ85
[ TS653 ] Animation C1 ENERGY= 743.3 kJ/mol
Energy+ZPE= 733.5 kJ/mol ZPE= 0.0477719
CONNECTIONS:
o EQ85 o EQ107
[ TS654 ] Animation C1 ENERGY= 761.7 kJ/mol
Energy+ZPE= 749.6 kJ/mol ZPE= 0.0468695
CONNECTIONS:
o EQ85 o EQ114
[ TS655 ] Animation C1 ENERGY= 774.0 kJ/mol
Energy+ZPE= 761.4 kJ/mol ZPE= 0.0466907
CONNECTIONS:
o EQ85 o EQ118
[ TS656 ] Animation C1 ENERGY= 859.5 kJ/mol
Energy+ZPE= 847.9 kJ/mol ZPE= 0.0470679
CONNECTIONS:
o EQ85 o EQ118
[ TS657 ] Animation C1 ENERGY= 761.2 kJ/mol
Energy+ZPE= 747.5 kJ/mol ZPE= 0.0462640
CONNECTIONS:
o EQ85 o EQ120
[ TS658 ] Animation C1 ENERGY= 788.2 kJ/mol
Energy+ZPE= 772.3 kJ/mol ZPE= 0.0454174
CONNECTIONS:
o EQ85 o EQ125
[ TS659 ] Animation C1 ENERGY= 658.4 kJ/mol
Energy+ZPE= 651.1 kJ/mol ZPE= 0.0487146
CONNECTIONS:
o EQ85 o DDC177
[ TS660 ] Animation C1 ENERGY= 678.7 kJ/mol
Energy+ZPE= 668.3 kJ/mol ZPE= 0.0475241
CONNECTIONS:
o EQ85 o DDC178
[ TS661 ] Animation C1 ENERGY= 717.7 kJ/mol
Energy+ZPE= 705.9 kJ/mol ZPE= 0.0470112
CONNECTIONS:
o EQ85 o DDC179
[ TS662 ] Animation C1 ENERGY= 773.5 kJ/mol
Energy+ZPE= 761.2 kJ/mol ZPE= 0.0468076
CONNECTIONS:
o EQ85 o DDC180
[ TS663 ] Animation C1 ENERGY= 946.0 kJ/mol
Energy+ZPE= 916.5 kJ/mol ZPE= 0.0402661
CONNECTIONS:
o EQ85 o DDC181
[ TS664 ] Animation C1 ENERGY= 585.0 kJ/mol
Energy+ZPE= 570.8 kJ/mol ZPE= 0.0460958
CONNECTIONS:
o EQ86 o EQ86
[ TS665 ] Animation Cs ENERGY= 594.7 kJ/mol
Energy+ZPE= 579.1 kJ/mol ZPE= 0.0455279
CONNECTIONS:
o EQ86 o EQ86
[ TS666 ] Animation Cs ENERGY= 764.0 kJ/mol
Energy+ZPE= 742.9 kJ/mol ZPE= 0.0434608
CONNECTIONS:
o EQ86 o EQ86
[ TS667 ] Animation Cs ENERGY= 770.6 kJ/mol
Energy+ZPE= 748.1 kJ/mol ZPE= 0.0428994
CONNECTIONS:
o EQ86 o EQ86
[ TS668 ] Animation C1 ENERGY= 604.8 kJ/mol
Energy+ZPE= 586.2 kJ/mol ZPE= 0.0443963
CONNECTIONS:
o EQ86 o DDC182
[ TS669 ] Animation Cs ENERGY= 584.8 kJ/mol
Energy+ZPE= 572.3 kJ/mol ZPE= 0.0467131
CONNECTIONS:
o EQ87 o EQ87
[ TS670 ] Animation Cs ENERGY= 816.3 kJ/mol
Energy+ZPE= 796.2 kJ/mol ZPE= 0.0438350
CONNECTIONS:
o EQ87 o EQ87
[ TS671 ] Animation C1 ENERGY= 594.7 kJ/mol
Energy+ZPE= 582.8 kJ/mol ZPE= 0.0469528
CONNECTIONS:
o EQ87 o EQ89
[ TS672 ] Animation C1 ENERGY= 598.9 kJ/mol
Energy+ZPE= 585.0 kJ/mol ZPE= 0.0462077
CONNECTIONS:
o EQ87 o EQ92
[ TS673 ] Animation C1 ENERGY= 615.1 kJ/mol
Energy+ZPE= 600.2 kJ/mol ZPE= 0.0457993
CONNECTIONS:
o EQ87 o EQ94
[ TS674 ] Animation C1 ENERGY= 795.3 kJ/mol
Energy+ZPE= 776.0 kJ/mol ZPE= 0.0441427
CONNECTIONS:
o EQ87 o EQ124
[ TS675 ] Animation C1 ENERGY= 661.1 kJ/mol
Energy+ZPE= 640.5 kJ/mol ZPE= 0.0436530
CONNECTIONS:
o EQ87 o DDC183
[ TS676 ] Animation Cs ENERGY= 604.6 kJ/mol
Energy+ZPE= 594.7 kJ/mol ZPE= 0.0477041
CONNECTIONS:
o EQ88 o EQ88
[ TS677 ] Animation C1 ENERGY= 828.6 kJ/mol
Energy+ZPE= 813.2 kJ/mol ZPE= 0.0456187
CONNECTIONS:
o EQ88 o EQ101
[ TS678 ] Animation Cs ENERGY= 856.4 kJ/mol
Energy+ZPE= 838.0 kJ/mol ZPE= 0.0444606
CONNECTIONS:
o EQ88 o EQ101
[ TS679 ] Animation C1 ENERGY= 789.7 kJ/mol
Energy+ZPE= 774.3 kJ/mol ZPE= 0.0456025
CONNECTIONS:
o EQ88 o EQ106
[ TS680 ] Animation C1 ENERGY= 815.8 kJ/mol
Energy+ZPE= 793.5 kJ/mol ZPE= 0.0429795
CONNECTIONS:
o EQ88 o EQ107
[ TS681 ] Animation Cs ENERGY= 834.3 kJ/mol
Energy+ZPE= 817.6 kJ/mol ZPE= 0.0451311
CONNECTIONS:
o EQ88 o DDC184
[ TS682 ] Animation C1 ENERGY= 950.7 kJ/mol
Energy+ZPE= 919.8 kJ/mol ZPE= 0.0397172
CONNECTIONS:
o EQ88 o DDC185
[ TS683 ] Animation C2v ENERGY= 672.4 kJ/mol
Energy+ZPE= 656.4 kJ/mol ZPE= 0.0453756
CONNECTIONS:
o EQ89 o EQ89
[ TS684 ] Animation C1 ENERGY= 608.2 kJ/mol
Energy+ZPE= 594.7 kJ/mol ZPE= 0.0463443
CONNECTIONS:
o EQ89 o EQ94
[ TS685 ] Animation Cs ENERGY= 616.3 kJ/mol
Energy+ZPE= 604.1 kJ/mol ZPE= 0.0468529
CONNECTIONS:
o EQ90 o EQ90
[ TS686 ] Animation C1 ENERGY= 631.4 kJ/mol
Energy+ZPE= 621.2 kJ/mol ZPE= 0.0475997
CONNECTIONS:
o EQ90 o EQ98
[ TS687 ] Animation C1 ENERGY= 625.3 kJ/mol
Energy+ZPE= 615.4 kJ/mol ZPE= 0.0477275
CONNECTIONS:
o EQ90 o EQ99
[ TS688 ] Animation C1 ENERGY= 713.0 kJ/mol
Energy+ZPE= 695.2 kJ/mol ZPE= 0.0447235
CONNECTIONS:
o EQ90 o EQ110
[ TS689 ] Animation C1 ENERGY= 595.8 kJ/mol
Energy+ZPE= 579.5 kJ/mol ZPE= 0.0452705
CONNECTIONS:
o EQ90 o DDC186
[ TS690 ] Animation Cs ENERGY= 618.8 kJ/mol
Energy+ZPE= 607.1 kJ/mol ZPE= 0.0470289
CONNECTIONS:
o EQ91 o EQ91
[ TS691 ] Animation C1 ENERGY= 622.0 kJ/mol
Energy+ZPE= 612.0 kJ/mol ZPE= 0.0476968
CONNECTIONS:
o EQ91 o EQ102
[ TS692 ] Animation C1 ENERGY= 655.0 kJ/mol
Energy+ZPE= 643.5 kJ/mol ZPE= 0.0471114
CONNECTIONS:
o EQ91 o EQ110
[ TS693 ] Animation C1 ENERGY= 605.5 kJ/mol
Energy+ZPE= 590.6 kJ/mol ZPE= 0.0458256
CONNECTIONS:
o EQ92 o EQ94
[ TS694 ] Animation C1 ENERGY= 754.6 kJ/mol
Energy+ZPE= 738.0 kJ/mol ZPE= 0.0451775
CONNECTIONS:
o EQ92 o EQ124
[ TS695 ] Animation Cs ENERGY= 760.3 kJ/mol
Energy+ZPE= 735.0 kJ/mol ZPE= 0.0418603
CONNECTIONS:
o EQ92 o DDC187
[ TS696 ] Animation C1 ENERGY= 614.8 kJ/mol
Energy+ZPE= 596.6 kJ/mol ZPE= 0.0445594
CONNECTIONS:
o EQ93 o DDC188
[ TS697 ] Animation C1 ENERGY= 619.1 kJ/mol
Energy+ZPE= 600.1 kJ/mol ZPE= 0.0442510
CONNECTIONS:
o EQ93 o DDC189
[ TS698 ] Animation C1 ENERGY= 620.2 kJ/mol
Energy+ZPE= 598.2 kJ/mol ZPE= 0.0430990
CONNECTIONS:
o EQ93 o DDC190
[ TS699 ] Animation Cs ENERGY= 604.9 kJ/mol
Energy+ZPE= 590.2 kJ/mol ZPE= 0.0458920
CONNECTIONS:
o EQ94 o EQ94
[ TS700 ] Animation C1 ENERGY= 765.7 kJ/mol
Energy+ZPE= 749.6 kJ/mol ZPE= 0.0453410
CONNECTIONS:
o EQ94 o EQ127
[ TS701 ] Animation C1 ENERGY= 633.7 kJ/mol
Energy+ZPE= 611.8 kJ/mol ZPE= 0.0431314
CONNECTIONS:
o EQ94 o DDC191
[ TS702 ] Animation Cs ENERGY= 864.2 kJ/mol
Energy+ZPE= 830.9 kJ/mol ZPE= 0.0388088
CONNECTIONS:
o EQ94 o DDC192
[ TS703 ] Animation C1 ENERGY= 632.3 kJ/mol
Energy+ZPE= 605.2 kJ/mol ZPE= 0.0411548
CONNECTIONS:
o EQ95 o DDC193
[ TS704 ] Animation C1 ENERGY= 703.4 kJ/mol
Energy+ZPE= 684.9 kJ/mol ZPE= 0.0444380
CONNECTIONS:
o EQ96 o DDC194
[ TS705 ] Animation C1 ENERGY= 745.7 kJ/mol
Energy+ZPE= 723.2 kJ/mol ZPE= 0.0429123
CONNECTIONS:
o EQ96 o DDC195
[ TS706 ] Animation Cs ENERGY= 627.3 kJ/mol
Energy+ZPE= 606.8 kJ/mol ZPE= 0.0436776
CONNECTIONS:
o EQ97 o EQ97
[ TS707 ] Animation Cs ENERGY= 633.8 kJ/mol
Energy+ZPE= 620.9 kJ/mol ZPE= 0.0465643
CONNECTIONS:
o EQ98 o EQ98
[ TS708 ] Animation C1 ENERGY= 623.3 kJ/mol
Energy+ZPE= 611.9 kJ/mol ZPE= 0.0471568
CONNECTIONS:
o EQ98 o EQ99
[ TS709 ] Animation C1 ENERGY= 662.3 kJ/mol
Energy+ZPE= 642.8 kJ/mol ZPE= 0.0440719
CONNECTIONS:
o EQ100 o EQ109
[ TS710 ] Animation C1 ENERGY= 742.5 kJ/mol
Energy+ZPE= 724.5 kJ/mol ZPE= 0.0446339
CONNECTIONS:
o EQ100 o EQ109
[ TS711 ] Animation C1 ENERGY= 790.5 kJ/mol
Energy+ZPE= 774.6 kJ/mol ZPE= 0.0454436
CONNECTIONS:
o EQ100 o EQ119
[ TS712 ] Animation C1 ENERGY= 784.7 kJ/mol
Energy+ZPE= 769.7 kJ/mol ZPE= 0.0457569
CONNECTIONS:
o EQ100 o EQ122
[ TS713 ] Animation C1 ENERGY= 623.3 kJ/mol
Energy+ZPE= 606.6 kJ/mol ZPE= 0.0451414
CONNECTIONS:
o EQ100 o DDC196
[ TS714 ] Animation C1 ENERGY= 624.9 kJ/mol
Energy+ZPE= 608.8 kJ/mol ZPE= 0.0453639
CONNECTIONS:
o EQ100 o DDC197
[ TS715 ] Animation C1 ENERGY= 633.0 kJ/mol
Energy+ZPE= 616.8 kJ/mol ZPE= 0.0453344
CONNECTIONS:
o EQ100 o DDC198
[ TS716 ] Animation C1 ENERGY= 904.2 kJ/mol
Energy+ZPE= 869.5 kJ/mol ZPE= 0.0382894
CONNECTIONS:
o EQ100 o DDC199
[ TS717 ] Animation C1 ENERGY= 908.9 kJ/mol
Energy+ZPE= 873.9 kJ/mol ZPE= 0.0381433
CONNECTIONS:
o EQ100 o DDC200
[ TS718 ] Animation Cs ENERGY= 625.2 kJ/mol
Energy+ZPE= 614.6 kJ/mol ZPE= 0.0474325
CONNECTIONS:
o EQ101 o EQ101
[ TS719 ] Animation C1 ENERGY= 767.0 kJ/mol
Energy+ZPE= 750.5 kJ/mol ZPE= 0.0452134
CONNECTIONS:
o EQ101 o EQ106
[ TS720 ] Animation C1 ENERGY= 1096.3 kJ/mol
Energy+ZPE= 1064.2 kJ/mol ZPE= 0.0392742
CONNECTIONS:
o EQ101 o EQ107
[ TS721 ] Animation C1 ENERGY= 880.6 kJ/mol
Energy+ZPE= 855.5 kJ/mol ZPE= 0.0419237
CONNECTIONS:
o EQ101 o EQ114
[ TS722 ] Animation C1 ENERGY= 1049.0 kJ/mol
Energy+ZPE= 1028.7 kJ/mol ZPE= 0.0437607
CONNECTIONS:
o EQ101 o EQ141
[ TS723 ] Animation C1 ENERGY= 914.0 kJ/mol
Energy+ZPE= 885.2 kJ/mol ZPE= 0.0405246
CONNECTIONS:
o EQ101 o DDC201
[ TS724 ] Animation C1 ENERGY= 1009.7 kJ/mol
Energy+ZPE= 965.3 kJ/mol ZPE= 0.0345696
CONNECTIONS:
o EQ101 o DDC202
[ TS725 ] Animation C1 ENERGY= 648.5 kJ/mol
Energy+ZPE= 638.6 kJ/mol ZPE= 0.0477255
CONNECTIONS:
o EQ102 o EQ110
[ TS726 ] Animation C1 ENERGY= 724.3 kJ/mol
Energy+ZPE= 704.8 kJ/mol ZPE= 0.0440476
CONNECTIONS:
o EQ103 o EQ120
[ TS727 ] Animation Cs ENERGY= 652.6 kJ/mol
Energy+ZPE= 617.8 kJ/mol ZPE= 0.0382356
CONNECTIONS:
o EQ103 o DDC203
[ TS728 ] Animation Cs ENERGY= 706.0 kJ/mol
Energy+ZPE= 684.4 kJ/mol ZPE= 0.0432651
CONNECTIONS:
o EQ103 o DDC204
[ TS729 ] Animation Cs ENERGY= 639.6 kJ/mol
Energy+ZPE= 619.5 kJ/mol ZPE= 0.0438456
CONNECTIONS:
o EQ104 o EQ104
[ TS730 ] Animation C1 ENERGY= 713.4 kJ/mol
Energy+ZPE= 692.9 kJ/mol ZPE= 0.0436726
CONNECTIONS:
o EQ104 o EQ117
[ TS731 ] Animation C1 ENERGY= 653.2 kJ/mol
Energy+ZPE= 624.4 kJ/mol ZPE= 0.0405040
CONNECTIONS:
o EQ104 o DDC205
[ TS732 ] Animation C1 ENERGY= 666.1 kJ/mol
Energy+ZPE= 635.0 kJ/mol ZPE= 0.0396557
CONNECTIONS:
o EQ104 o DDC206
[ TS733 ] Animation C1 ENERGY= 817.8 kJ/mol
Energy+ZPE= 790.0 kJ/mol ZPE= 0.0408948
CONNECTIONS:
o EQ104 o DDC207
[ TS734 ] Animation C1 ENERGY= 832.6 kJ/mol
Energy+ZPE= 815.0 kJ/mol ZPE= 0.0447660
CONNECTIONS:
o EQ105 o EQ119
[ TS735 ] Animation C1 ENERGY= 1122.7 kJ/mol
Energy+ZPE= 1098.4 kJ/mol ZPE= 0.0422346
CONNECTIONS:
o EQ105 o EQ146
[ TS736 ] Animation C1 ENERGY= 1056.6 kJ/mol
Energy+ZPE= 1030.5 kJ/mol ZPE= 0.0415312
CONNECTIONS:
o EQ105 o EQ151
[ TS737 ] Animation C1 ENERGY= 642.8 kJ/mol
Energy+ZPE= 628.1 kJ/mol ZPE= 0.0458986
CONNECTIONS:
o EQ105 o DDC208
[ TS738 ] Animation C1 ENERGY= 648.3 kJ/mol
Energy+ZPE= 634.6 kJ/mol ZPE= 0.0462769
CONNECTIONS:
o EQ105 o DDC209
[ TS739 ] Animation C1 ENERGY= 653.6 kJ/mol
Energy+ZPE= 636.3 kJ/mol ZPE= 0.0448916
CONNECTIONS:
o EQ105 o DDC210
[ TS740 ] Animation C1 ENERGY= 680.1 kJ/mol
Energy+ZPE= 666.5 kJ/mol ZPE= 0.0463158
CONNECTIONS:
o EQ105 o DDC211
[ TS741 ] Animation C1 ENERGY= 737.3 kJ/mol
Energy+ZPE= 722.8 kJ/mol ZPE= 0.0459506
CONNECTIONS:
o EQ105 o DDC212
[ TS742 ] Animation C1 ENERGY= 801.3 kJ/mol
Energy+ZPE= 781.6 kJ/mol ZPE= 0.0440027
CONNECTIONS:
o EQ105 o DDC213
[ TS743 ] Animation C1 ENERGY= 914.5 kJ/mol
Energy+ZPE= 887.7 kJ/mol ZPE= 0.0412675
CONNECTIONS:
o EQ105 o DDC214
[ TS744 ] Animation Cs ENERGY= 648.8 kJ/mol
Energy+ZPE= 638.1 kJ/mol ZPE= 0.0474135
CONNECTIONS:
o EQ106 o EQ106
[ TS745 ] Animation Cs ENERGY= 866.2 kJ/mol
Energy+ZPE= 853.0 kJ/mol ZPE= 0.0464770
CONNECTIONS:
o EQ106 o EQ106
[ TS746 ] Animation C1 ENERGY= 987.5 kJ/mol
Energy+ZPE= 968.7 kJ/mol ZPE= 0.0443251
CONNECTIONS:
o EQ106 o EQ138
[ TS747 ] Animation C1 ENERGY= 1019.6 kJ/mol
Energy+ZPE= 995.7 kJ/mol ZPE= 0.0423984
CONNECTIONS:
o EQ106 o EQ138
[ TS748 ] Animation C1 ENERGY= 1045.2 kJ/mol
Energy+ZPE= 1006.9 kJ/mol ZPE= 0.0369041
CONNECTIONS:
o EQ106 o DDC215
[ TS749 ] Animation C1 ENERGY= 1091.5 kJ/mol
Energy+ZPE= 1052.7 kJ/mol ZPE= 0.0366917
CONNECTIONS:
o EQ106 o DDC216
[ TS750 ] Animation C1 ENERGY= 742.3 kJ/mol
Energy+ZPE= 728.3 kJ/mol ZPE= 0.0461721
CONNECTIONS:
o EQ107 o EQ114
[ TS751 ] Animation Cs ENERGY= 680.0 kJ/mol
Energy+ZPE= 657.7 kJ/mol ZPE= 0.0429943
CONNECTIONS:
o EQ107 o EQ117
[ TS752 ] Animation Cs ENERGY= 651.3 kJ/mol
Energy+ZPE= 635.1 kJ/mol ZPE= 0.0453097
CONNECTIONS:
o EQ107 o DDC217
[ TS753 ] Animation Cs ENERGY= 641.1 kJ/mol
Energy+ZPE= 618.6 kJ/mol ZPE= 0.0428990
CONNECTIONS:
o EQ108 o DDC218
[ TS754 ] Animation Cs ENERGY= 659.2 kJ/mol
Energy+ZPE= 635.1 kJ/mol ZPE= 0.0423049
CONNECTIONS:
o EQ108 o DDC219
[ TS755 ] Animation C1 ENERGY= 741.4 kJ/mol
Energy+ZPE= 710.2 kJ/mol ZPE= 0.0396187
CONNECTIONS:
o EQ108 o DDC220
[ TS756 ] Animation C1 ENERGY= 642.2 kJ/mol
Energy+ZPE= 625.1 kJ/mol ZPE= 0.0449664
CONNECTIONS:
o EQ109 o DDC221
[ TS757 ] Animation C1 ENERGY= 650.6 kJ/mol
Energy+ZPE= 631.7 kJ/mol ZPE= 0.0442703
CONNECTIONS:
o EQ109 o DDC222
[ TS758 ] Animation C1 ENERGY= 660.1 kJ/mol
Energy+ZPE= 642.2 kJ/mol ZPE= 0.0446571
CONNECTIONS:
o EQ109 o DDC223
[ TS759 ] Animation Cs ENERGY= 656.0 kJ/mol
Energy+ZPE= 643.9 kJ/mol ZPE= 0.0468645
CONNECTIONS:
o EQ110 o EQ110
[ TS760 ] Animation C1 ENERGY= 724.9 kJ/mol
Energy+ZPE= 705.7 kJ/mol ZPE= 0.0441738
CONNECTIONS:
o EQ110 o EQ117
[ TS761 ] Animation C1 ENERGY= 790.6 kJ/mol
Energy+ZPE= 762.9 kJ/mol ZPE= 0.0409319
CONNECTIONS:
o EQ110 o EQ125
[ TS762 ] Animation Cs ENERGY= 660.9 kJ/mol
Energy+ZPE= 641.0 kJ/mol ZPE= 0.0439193
CONNECTIONS:
o EQ111 o EQ111
[ TS763 ] Animation C1 ENERGY= 668.3 kJ/mol
Energy+ZPE= 649.4 kJ/mol ZPE= 0.0442924
CONNECTIONS:
o EQ111 o EQ115
[ TS764 ] Animation C1 ENERGY= 704.5 kJ/mol
Energy+ZPE= 680.8 kJ/mol ZPE= 0.0424440
CONNECTIONS:
o EQ111 o EQ115
[ TS765 ] Animation Cs ENERGY= 670.7 kJ/mol
Energy+ZPE= 659.6 kJ/mol ZPE= 0.0472457
CONNECTIONS:
o EQ112 o EQ112
[ TS766 ] Animation Cs ENERGY= 820.2 kJ/mol
Energy+ZPE= 803.6 kJ/mol ZPE= 0.0451550
CONNECTIONS:
o EQ112 o EQ112
[ TS767 ] Animation C1 ENERGY= 662.1 kJ/mol
Energy+ZPE= 646.7 kJ/mol ZPE= 0.0456187
CONNECTIONS:
o EQ112 o DDC224
[ TS768 ] Animation Cs ENERGY= 687.4 kJ/mol
Energy+ZPE= 672.0 kJ/mol ZPE= 0.0456135
CONNECTIONS:
o EQ113 o EQ113
[ TS769 ] Animation Cs ENERGY= 703.0 kJ/mol
Energy+ZPE= 686.3 kJ/mol ZPE= 0.0451300
CONNECTIONS:
o EQ113 o EQ113
[ TS770 ] Animation C1 ENERGY= 683.0 kJ/mol
Energy+ZPE= 667.7 kJ/mol ZPE= 0.0456473
CONNECTIONS:
o EQ113 o EQ116
[ TS771 ] Animation C1 ENERGY= 685.0 kJ/mol
Energy+ZPE= 669.6 kJ/mol ZPE= 0.0456261
CONNECTIONS:
o EQ113 o EQ116
[ TS772 ] Animation C1 ENERGY= 728.6 kJ/mol
Energy+ZPE= 708.9 kJ/mol ZPE= 0.0439902
CONNECTIONS:
o EQ113 o EQ117
[ TS773 ] Animation C1 ENERGY= 952.7 kJ/mol
Energy+ZPE= 938.7 kJ/mol ZPE= 0.0461419
CONNECTIONS:
o EQ113 o EQ117
[ TS774 ] Animation C1 ENERGY= 721.9 kJ/mol
Energy+ZPE= 697.4 kJ/mol ZPE= 0.0421706
CONNECTIONS:
o EQ113 o DDC225
[ TS775 ] Animation C1 ENERGY= 723.4 kJ/mol
Energy+ZPE= 695.5 kJ/mol ZPE= 0.0408733
CONNECTIONS:
o EQ113 o DDC226
[ TS776 ] Animation C1 ENERGY= 896.0 kJ/mol
Energy+ZPE= 879.6 kJ/mol ZPE= 0.0452529
CONNECTIONS:
o EQ113 o DDC227
[ TS777 ] Animation Cs ENERGY= 824.2 kJ/mol
Energy+ZPE= 811.4 kJ/mol ZPE= 0.0466266
CONNECTIONS:
o EQ114 o EQ114
[ TS778 ] Animation Cs ENERGY= 689.0 kJ/mol
Energy+ZPE= 670.3 kJ/mol ZPE= 0.0443590
CONNECTIONS:
o EQ114 o DDC228
[ TS779 ] Animation Cs ENERGY= 745.4 kJ/mol
Energy+ZPE= 712.2 kJ/mol ZPE= 0.0388565
CONNECTIONS:
o EQ115 o DDC229
[ TS780 ] Animation Cs ENERGY= 686.8 kJ/mol
Energy+ZPE= 670.0 kJ/mol ZPE= 0.0450938
CONNECTIONS:
o EQ116 o EQ116
[ TS781 ] Animation C1 ENERGY= 935.3 kJ/mol
Energy+ZPE= 913.1 kJ/mol ZPE= 0.0430378
CONNECTIONS:
o EQ116 o EQ117
[ TS782 ] Animation C1 ENERGY= 892.1 kJ/mol
Energy+ZPE= 875.5 kJ/mol ZPE= 0.0451492
CONNECTIONS:
o EQ116 o EQ136
[ TS783 ] Animation C1 ENERGY= 737.3 kJ/mol
Energy+ZPE= 711.9 kJ/mol ZPE= 0.0417941
CONNECTIONS:
o EQ116 o DDC230
[ TS784 ] Animation C1 ENERGY= 746.6 kJ/mol
Energy+ZPE= 724.5 kJ/mol ZPE= 0.0430542
CONNECTIONS:
o EQ116 o DDC231
[ TS785 ] Animation Cs ENERGY= 718.1 kJ/mol
Energy+ZPE= 703.0 kJ/mol ZPE= 0.0457335
CONNECTIONS:
o EQ117 o EQ117
[ TS786 ] Animation C1 ENERGY= 902.5 kJ/mol
Energy+ZPE= 884.2 kJ/mol ZPE= 0.0445270
CONNECTIONS:
o EQ117 o EQ136
[ TS787 ] Animation C1 ENERGY= 896.7 kJ/mol
Energy+ZPE= 879.6 kJ/mol ZPE= 0.0449786
CONNECTIONS:
o EQ117 o EQ140
[ TS788 ] Animation C1 ENERGY= 730.6 kJ/mol
Energy+ZPE= 709.3 kJ/mol ZPE= 0.0433689
CONNECTIONS:
o EQ117 o DDC232
[ TS789 ] Animation C1 ENERGY= 824.9 kJ/mol
Energy+ZPE= 804.3 kJ/mol ZPE= 0.0436567
CONNECTIONS:
o EQ118 o EQ121
[ TS790 ] Animation C1 ENERGY= 896.8 kJ/mol
Energy+ZPE= 875.8 kJ/mol ZPE= 0.0434862
CONNECTIONS:
o EQ118 o EQ136
[ TS791 ] Animation C1 ENERGY= 1024.1 kJ/mol
Energy+ZPE= 1006.9 kJ/mol ZPE= 0.0449539
CONNECTIONS:
o EQ118 o EQ143
[ TS792 ] Animation C1 ENERGY= 1027.8 kJ/mol
Energy+ZPE= 1009.9 kJ/mol ZPE= 0.0446523
CONNECTIONS:
o EQ118 o EQ150
[ TS793 ] Animation C1 ENERGY= 703.4 kJ/mol
Energy+ZPE= 690.4 kJ/mol ZPE= 0.0465351
CONNECTIONS:
o EQ118 o DDC233
[ TS794 ] Animation C1 ENERGY= 1054.3 kJ/mol
Energy+ZPE= 1037.4 kJ/mol ZPE= 0.0450632
CONNECTIONS:
o EQ118 o DDC234
[ TS795 ] Animation C1 ENERGY= 1092.7 kJ/mol
Energy+ZPE= 1073.3 kJ/mol ZPE= 0.0441051
CONNECTIONS:
o EQ118 o DDC235
[ TS796 ] Animation C1 ENERGY= 761.9 kJ/mol
Energy+ZPE= 750.2 kJ/mol ZPE= 0.0470308
CONNECTIONS:
o EQ119 o EQ119
[ TS797 ] Animation C1 ENERGY= 763.3 kJ/mol
Energy+ZPE= 744.7 kJ/mol ZPE= 0.0444210
CONNECTIONS:
o EQ119 o DDC236
[ TS798 ] Animation C1 ENERGY= 786.8 kJ/mol
Energy+ZPE= 770.7 kJ/mol ZPE= 0.0453650
CONNECTIONS:
o EQ119 o DDC237
[ TS799 ] Animation C1 ENERGY= 815.8 kJ/mol
Energy+ZPE= 798.5 kJ/mol ZPE= 0.0449035
CONNECTIONS:
o EQ119 o DDC238
[ TS800 ] Animation C1 ENERGY= 875.0 kJ/mol
Energy+ZPE= 847.6 kJ/mol ZPE= 0.0410536
CONNECTIONS:
o EQ119 o DDC239
[ TS801 ] Animation Cs ENERGY= 856.9 kJ/mol
Energy+ZPE= 824.3 kJ/mol ZPE= 0.0390644
CONNECTIONS:
o EQ120 o DDC240
[ TS802 ] Animation C1 ENERGY= 750.2 kJ/mol
Energy+ZPE= 733.4 kJ/mol ZPE= 0.0451038
CONNECTIONS:
o EQ121 o EQ121
[ TS803 ] Animation C1 ENERGY= 1040.8 kJ/mol
Energy+ZPE= 1011.4 kJ/mol ZPE= 0.0402805
CONNECTIONS:
o EQ121 o EQ136
[ TS804 ] Animation C1 ENERGY= 753.2 kJ/mol
Energy+ZPE= 730.2 kJ/mol ZPE= 0.0427267
CONNECTIONS:
o EQ121 o DDC241
[ TS805 ] Animation C1 ENERGY= 790.9 kJ/mol
Energy+ZPE= 776.0 kJ/mol ZPE= 0.0458106
CONNECTIONS:
o EQ122 o DDC242
[ TS806 ] Animation C1 ENERGY= 808.3 kJ/mol
Energy+ZPE= 790.2 kJ/mol ZPE= 0.0446113
CONNECTIONS:
o EQ122 o DDC243
[ TS807 ] Animation C1 ENERGY= 820.1 kJ/mol
Energy+ZPE= 804.4 kJ/mol ZPE= 0.0455224
CONNECTIONS:
o EQ122 o DDC244
[ TS808 ] Animation C1 ENERGY= 885.8 kJ/mol
Energy+ZPE= 854.2 kJ/mol ZPE= 0.0394616
CONNECTIONS:
o EQ122 o DDC245
[ TS809 ] Animation C1 ENERGY= 785.5 kJ/mol
Energy+ZPE= 766.8 kJ/mol ZPE= 0.0443756
CONNECTIONS:
o EQ123 o DDC246
[ TS810 ] Animation C1 ENERGY= 818.3 kJ/mol
Energy+ZPE= 796.6 kJ/mol ZPE= 0.0432195
CONNECTIONS:
o EQ123 o DDC247
[ TS811 ] Animation C1 ENERGY= 888.7 kJ/mol
Energy+ZPE= 848.1 kJ/mol ZPE= 0.0360147
CONNECTIONS:
o EQ123 o DDC248
[ TS812 ] Animation C1 ENERGY= 747.2 kJ/mol
Energy+ZPE= 727.9 kJ/mol ZPE= 0.0441497
CONNECTIONS:
o EQ125 o DDC249
[ TS813 ] Animation C1 ENERGY= 888.2 kJ/mol
Energy+ZPE= 850.4 kJ/mol ZPE= 0.0370793
CONNECTIONS:
o EQ125 o DDC250
[ TS814 ] Animation C1 ENERGY= 808.6 kJ/mol
Energy+ZPE= 787.3 kJ/mol ZPE= 0.0433914
CONNECTIONS:
o EQ126 o EQ129
[ TS815 ] Animation C1 ENERGY= 867.2 kJ/mol
Energy+ZPE= 839.3 kJ/mol ZPE= 0.0408765
CONNECTIONS:
o EQ126 o DDC251
[ TS816 ] Animation C1 ENERGY= 759.7 kJ/mol
Energy+ZPE= 745.3 kJ/mol ZPE= 0.0460132
CONNECTIONS:
o EQ128 o EQ128
[ TS817 ] Animation Cs ENERGY= 835.9 kJ/mol
Energy+ZPE= 820.2 kJ/mol ZPE= 0.0455082
CONNECTIONS:
o EQ128 o EQ128
[ TS818 ] Animation C1 ENERGY= 783.7 kJ/mol
Energy+ZPE= 763.7 kJ/mol ZPE= 0.0438868
CONNECTIONS:
o EQ130 o DDC252
[ TS819 ] Animation Cs ENERGY= 790.1 kJ/mol
Energy+ZPE= 758.9 kJ/mol ZPE= 0.0395879
CONNECTIONS:
o EQ130 o DDC253
[ TS820 ] Animation C1 ENERGY= 796.9 kJ/mol
Energy+ZPE= 775.7 kJ/mol ZPE= 0.0434243
CONNECTIONS:
o EQ131 o DDC254
[ TS821 ] Animation C1 ENERGY= 815.0 kJ/mol
Energy+ZPE= 788.1 kJ/mol ZPE= 0.0412348
CONNECTIONS:
o EQ132 o DDC255
[ TS822 ] Animation Cs ENERGY= 830.9 kJ/mol
Energy+ZPE= 822.6 kJ/mol ZPE= 0.0483234
CONNECTIONS:
o EQ133 o EQ134
[ TS823 ] Animation C1 ENERGY= 848.8 kJ/mol
Energy+ZPE= 837.7 kJ/mol ZPE= 0.0472418
CONNECTIONS:
o EQ134 o DDC256
[ TS824 ] Animation Cs ENERGY= 916.8 kJ/mol
Energy+ZPE= 888.6 kJ/mol ZPE= 0.0407561
CONNECTIONS:
o EQ134 o DDC257
[ TS825 ] Animation C1 ENERGY= 988.5 kJ/mol
Energy+ZPE= 961.1 kJ/mol ZPE= 0.0410485
CONNECTIONS:
o EQ135 o EQ135
[ TS826 ] Animation C1 ENERGY= 889.4 kJ/mol
Energy+ZPE= 875.7 kJ/mol ZPE= 0.0462701
CONNECTIONS:
o EQ135 o EQ139
[ TS827 ] Animation C1 ENERGY= 905.6 kJ/mol
Energy+ZPE= 890.7 kJ/mol ZPE= 0.0457974
CONNECTIONS:
o EQ135 o EQ139
[ TS828 ] Animation C1 ENERGY= 1021.4 kJ/mol
Energy+ZPE= 1005.3 kJ/mol ZPE= 0.0453391
CONNECTIONS:
o EQ135 o EQ145
[ TS829 ] Animation C1 ENERGY= 865.4 kJ/mol
Energy+ZPE= 847.8 kJ/mol ZPE= 0.0447845
CONNECTIONS:
o EQ135 o DDC258
[ TS830 ] Animation C1 ENERGY= 878.3 kJ/mol
Energy+ZPE= 849.3 kJ/mol ZPE= 0.0404511
CONNECTIONS:
o EQ137 o DDC259
[ TS831 ] Animation C1 ENERGY= 902.7 kJ/mol
Energy+ZPE= 880.2 kJ/mol ZPE= 0.0429010
CONNECTIONS:
o EQ137 o DDC260
[ TS832 ] Animation C1 ENERGY= 906.9 kJ/mol
Energy+ZPE= 881.0 kJ/mol ZPE= 0.0416045
CONNECTIONS:
o EQ137 o DDC261
[ TS833 ] Animation C1 ENERGY= 943.7 kJ/mol
Energy+ZPE= 913.7 kJ/mol ZPE= 0.0400477
CONNECTIONS:
o EQ137 o DDC262
[ TS834 ] Animation C1 ENERGY= 1044.6 kJ/mol
Energy+ZPE= 1000.8 kJ/mol ZPE= 0.0347947
CONNECTIONS:
o EQ137 o DDC263
[ TS835 ] Animation C1 ENERGY= 890.3 kJ/mol
Energy+ZPE= 876.7 kJ/mol ZPE= 0.0463163
CONNECTIONS:
o EQ138 o EQ138
[ TS836 ] Animation Cs ENERGY= 991.3 kJ/mol
Energy+ZPE= 967.3 kJ/mol ZPE= 0.0423432
CONNECTIONS:
o EQ138 o EQ138
[ TS837 ] Animation C1 ENERGY= 1031.6 kJ/mol
Energy+ZPE= 1014.2 kJ/mol ZPE= 0.0448517
CONNECTIONS:
o EQ138 o EQ141
[ TS838 ] Animation C1 ENERGY= 907.6 kJ/mol
Energy+ZPE= 891.4 kJ/mol ZPE= 0.0453240
CONNECTIONS:
o EQ138 o DDC264
[ TS839 ] Animation C1 ENERGY= 900.6 kJ/mol
Energy+ZPE= 882.8 kJ/mol ZPE= 0.0447091
CONNECTIONS:
o EQ139 o DDC265
[ TS840 ] Animation C1 ENERGY= 921.8 kJ/mol
Energy+ZPE= 903.8 kJ/mol ZPE= 0.0446269
CONNECTIONS:
o EQ140 o EQ140
[ TS841 ] Animation C1 ENERGY= 1069.4 kJ/mol
Energy+ZPE= 1043.7 kJ/mol ZPE= 0.0417078
CONNECTIONS:
o EQ140 o EQ155
[ TS842 ] Animation C1 ENERGY= 917.4 kJ/mol
Energy+ZPE= 894.6 kJ/mol ZPE= 0.0427976
CONNECTIONS:
o EQ140 o DDC266
[ TS843 ] Animation C1 ENERGY= 916.4 kJ/mol
Energy+ZPE= 903.4 kJ/mol ZPE= 0.0465341
CONNECTIONS:
o EQ141 o EQ141
[ TS844 ] Animation Cs ENERGY= 1124.8 kJ/mol
Energy+ZPE= 1095.0 kJ/mol ZPE= 0.0401438
CONNECTIONS:
o EQ141 o EQ156
[ TS845 ] Animation Cs ENERGY= 1047.9 kJ/mol
Energy+ZPE= 1014.9 kJ/mol ZPE= 0.0389044
CONNECTIONS:
o EQ141 o DDC267
[ TS846 ] Animation C1 ENERGY= 1349.4 kJ/mol
Energy+ZPE= 1308.7 kJ/mol ZPE= 0.0359912
CONNECTIONS:
o EQ141 o DDC268
[ TS847 ] Animation C1 ENERGY= 1367.8 kJ/mol
Energy+ZPE= 1325.9 kJ/mol ZPE= 0.0355467
CONNECTIONS:
o EQ141 o DDC269
[ TS848 ] Animation Cs ENERGY= 919.6 kJ/mol
Energy+ZPE= 900.0 kJ/mol ZPE= 0.0440190
CONNECTIONS:
o EQ142 o EQ142
[ TS849 ] Animation Cs ENERGY= 1017.0 kJ/mol
Energy+ZPE= 982.7 kJ/mol ZPE= 0.0384316
CONNECTIONS:
o EQ142 o EQ142
[ TS850 ] Animation Cs ENERGY= 1018.4 kJ/mol
Energy+ZPE= 992.0 kJ/mol ZPE= 0.0414154
CONNECTIONS:
o EQ142 o EQ142
[ TS851 ] Animation Cs ENERGY= 1109.2 kJ/mol
Energy+ZPE= 1079.3 kJ/mol ZPE= 0.0400837
CONNECTIONS:
o EQ142 o EQ143
[ TS852 ] Animation C1 ENERGY= 961.6 kJ/mol
Energy+ZPE= 930.5 kJ/mol ZPE= 0.0396570
CONNECTIONS:
o EQ142 o DDC270
[ TS853 ] Animation C1 ENERGY= 964.5 kJ/mol
Energy+ZPE= 940.8 kJ/mol ZPE= 0.0424597
CONNECTIONS:
o EQ142 o DDC271
[ TS854 ] Animation C1 ENERGY= 1012.8 kJ/mol
Energy+ZPE= 979.7 kJ/mol ZPE= 0.0388814
CONNECTIONS:
o EQ142 o DDC272
[ TS855 ] Animation Cs ENERGY= 1103.3 kJ/mol
Energy+ZPE= 1073.7 kJ/mol ZPE= 0.0402072
CONNECTIONS:
o EQ143 o EQ143
[ TS856 ] Animation C1 ENERGY= 1109.9 kJ/mol
Energy+ZPE= 1081.8 kJ/mol ZPE= 0.0407867
CONNECTIONS:
o EQ143 o EQ146
[ TS857 ] Animation C1 ENERGY= 1024.1 kJ/mol
Energy+ZPE= 1004.3 kJ/mol ZPE= 0.0439629
CONNECTIONS:
o EQ143 o EQ150
[ TS858 ] Animation C1 ENERGY= 1121.9 kJ/mol
Energy+ZPE= 1092.9 kJ/mol ZPE= 0.0404501
CONNECTIONS:
o EQ143 o EQ154
[ TS859 ] Animation C1 ENERGY= 1020.2 kJ/mol
Energy+ZPE= 1001.9 kJ/mol ZPE= 0.0445083
CONNECTIONS:
o EQ143 o DDC273
[ TS860 ] Animation C1 ENERGY= 1042.7 kJ/mol
Energy+ZPE= 1025.0 kJ/mol ZPE= 0.0447401
CONNECTIONS:
o EQ143 o DDC274
[ TS861 ] Animation C1 ENERGY= 1076.2 kJ/mol
Energy+ZPE= 1048.4 kJ/mol ZPE= 0.0409080
CONNECTIONS:
o EQ143 o DDC275
[ TS862 ] Animation C1 ENERGY= 1080.5 kJ/mol
Energy+ZPE= 1063.1 kJ/mol ZPE= 0.0448557
CONNECTIONS:
o EQ143 o DDC276
[ TS863 ] Animation C1 ENERGY= 1100.9 kJ/mol
Energy+ZPE= 1069.2 kJ/mol ZPE= 0.0394130
CONNECTIONS:
o EQ143 o DDC277
[ TS864 ] Animation C1 ENERGY= 1035.9 kJ/mol
Energy+ZPE= 1018.0 kJ/mol ZPE= 0.0446690
CONNECTIONS:
o EQ144 o EQ148
[ TS865 ] Animation Cs ENERGY= 1144.7 kJ/mol
Energy+ZPE= 1124.3 kJ/mol ZPE= 0.0437072
CONNECTIONS:
o EQ144 o EQ153
[ TS866 ] Animation C1 ENERGY= 979.6 kJ/mol
Energy+ZPE= 962.2 kJ/mol ZPE= 0.0448435
CONNECTIONS:
o EQ144 o DDC278
[ TS867 ] Animation C1 ENERGY= 974.2 kJ/mol
Energy+ZPE= 960.0 kJ/mol ZPE= 0.0460745
CONNECTIONS:
o EQ145 o EQ146
[ TS868 ] Animation Cs ENERGY= 1122.9 kJ/mol
Energy+ZPE= 1097.1 kJ/mol ZPE= 0.0416635
CONNECTIONS:
o EQ145 o EQ147
[ TS869 ] Animation C1 ENERGY= 1079.6 kJ/mol
Energy+ZPE= 1050.1 kJ/mol ZPE= 0.0402370
CONNECTIONS:
o EQ145 o DDC279
[ TS870 ] Animation C1 ENERGY= 1426.0 kJ/mol
Energy+ZPE= 1378.0 kJ/mol ZPE= 0.0331919
CONNECTIONS:
o EQ145 o DDC280
[ TS871 ] Animation Cs ENERGY= 995.3 kJ/mol
Energy+ZPE= 980.6 kJ/mol ZPE= 0.0458719
CONNECTIONS:
o EQ146 o EQ146
[ TS872 ] Animation Cs ENERGY= 1028.3 kJ/mol
Energy+ZPE= 1011.7 kJ/mol ZPE= 0.0451771
CONNECTIONS:
o EQ146 o EQ146
[ TS873 ] Animation C1 ENERGY= 1069.5 kJ/mol
Energy+ZPE= 1039.4 kJ/mol ZPE= 0.0400361
CONNECTIONS:
o EQ146 o EQ151
[ TS874 ] Animation C1 ENERGY= 1137.3 kJ/mol
Energy+ZPE= 1118.7 kJ/mol ZPE= 0.0444136
CONNECTIONS:
o EQ146 o DDC281
[ TS875 ] Animation C1 ENERGY= 1020.0 kJ/mol
Energy+ZPE= 1000.5 kJ/mol ZPE= 0.0440631
CONNECTIONS:
o EQ147 o EQ147
[ TS876 ] Animation Cs ENERGY= 1061.6 kJ/mol
Energy+ZPE= 1041.6 kJ/mol ZPE= 0.0438644
CONNECTIONS:
o EQ147 o EQ147
[ TS877 ] Animation C1 ENERGY= 1037.9 kJ/mol
Energy+ZPE= 1018.6 kJ/mol ZPE= 0.0441430
CONNECTIONS:
o EQ147 o DDC282
[ TS878 ] Animation C1 ENERGY= 984.3 kJ/mol
Energy+ZPE= 970.4 kJ/mol ZPE= 0.0462067
CONNECTIONS:
o EQ148 o EQ149
[ TS879 ] Animation C1 ENERGY= 1064.4 kJ/mol
Energy+ZPE= 1046.3 kJ/mol ZPE= 0.0445795
CONNECTIONS:
o EQ148 o EQ153
[ TS880 ] Animation C1 ENERGY= 993.8 kJ/mol
Energy+ZPE= 976.6 kJ/mol ZPE= 0.0449199
CONNECTIONS:
o EQ148 o DDC283
[ TS881 ] Animation C1 ENERGY= 997.5 kJ/mol
Energy+ZPE= 979.2 kJ/mol ZPE= 0.0445345
CONNECTIONS:
o EQ148 o DDC284
[ TS882 ] Animation C1 ENERGY= 1069.3 kJ/mol
Energy+ZPE= 1048.4 kJ/mol ZPE= 0.0435166
CONNECTIONS:
o EQ149 o EQ153
[ TS883 ] Animation Cs ENERGY= 1120.4 kJ/mol
Energy+ZPE= 1093.0 kJ/mol ZPE= 0.0410670
CONNECTIONS:
o EQ150 o EQ150
[ TS884 ] Animation Cs ENERGY= 1149.3 kJ/mol
Energy+ZPE= 1119.6 kJ/mol ZPE= 0.0401581
CONNECTIONS:
o EQ150 o EQ154
[ TS885 ] Animation C1 ENERGY= 1084.9 kJ/mol
Energy+ZPE= 1062.6 kJ/mol ZPE= 0.0429769
CONNECTIONS:
o EQ150 o EQ156
[ TS886 ] Animation C1 ENERGY= 1083.2 kJ/mol
Energy+ZPE= 1063.5 kJ/mol ZPE= 0.0439958
CONNECTIONS:
o EQ150 o DDC285
[ TS887 ] Animation C1 ENERGY= 1121.0 kJ/mol
Energy+ZPE= 1101.1 kJ/mol ZPE= 0.0439065
CONNECTIONS:
o EQ150 o DDC286
[ TS888 ] Animation C1 ENERGY= 997.6 kJ/mol
Energy+ZPE= 973.6 kJ/mol ZPE= 0.0423432
CONNECTIONS:
o EQ151 o EQ152
[ TS889 ] Animation C1 ENERGY= 1004.9 kJ/mol
Energy+ZPE= 981.4 kJ/mol ZPE= 0.0425259
CONNECTIONS:
o EQ151 o EQ152
[ TS890 ] Animation C1 ENERGY= 1016.3 kJ/mol
Energy+ZPE= 992.1 kJ/mol ZPE= 0.0422776
CONNECTIONS:
o EQ151 o EQ152
[ TS891 ] Animation C1 ENERGY= 998.8 kJ/mol
Energy+ZPE= 973.5 kJ/mol ZPE= 0.0418434
CONNECTIONS:
o EQ151 o DDC287
[ TS892 ] Animation C1 ENERGY= 1009.0 kJ/mol
Energy+ZPE= 982.0 kJ/mol ZPE= 0.0412137
CONNECTIONS:
o EQ151 o DDC288
[ TS893 ] Animation C1 ENERGY= 1054.0 kJ/mol
Energy+ZPE= 1027.6 kJ/mol ZPE= 0.0414369
CONNECTIONS:
o EQ151 o DDC289
[ TS894 ] Animation C1 ENERGY= 1004.3 kJ/mol
Energy+ZPE= 979.3 kJ/mol ZPE= 0.0419541
CONNECTIONS:
o EQ152 o DDC290
[ TS895 ] Animation C1 ENERGY= 1066.0 kJ/mol
Energy+ZPE= 1036.2 kJ/mol ZPE= 0.0401495
CONNECTIONS:
o EQ152 o DDC291
[ TS896 ] Animation C1 ENERGY= 1018.8 kJ/mol
Energy+ZPE= 998.2 kJ/mol ZPE= 0.0436244
CONNECTIONS:
o EQ153 o DDC292
[ TS897 ] Animation Cs ENERGY= 1133.9 kJ/mol
Energy+ZPE= 1095.8 kJ/mol ZPE= 0.0369603
CONNECTIONS:
o EQ153 o DDC293
[ TS898 ] Animation Cs ENERGY= 1079.8 kJ/mol
Energy+ZPE= 1057.3 kJ/mol ZPE= 0.0429280
CONNECTIONS:
o EQ154 o EQ154
[ TS899 ] Animation C1 ENERGY= 1025.9 kJ/mol
Energy+ZPE= 1001.3 kJ/mol ZPE= 0.0421323
CONNECTIONS:
o EQ154 o EQ155
[ TS900 ] Animation C1 ENERGY= 1052.0 kJ/mol
Energy+ZPE= 1025.9 kJ/mol ZPE= 0.0415433
CONNECTIONS:
o EQ154 o EQ155
[ TS901 ] Animation C1 ENERGY= 1035.5 kJ/mol
Energy+ZPE= 1009.4 kJ/mol ZPE= 0.0415424
CONNECTIONS:
o EQ154 o DDC294
[ TS902 ] Animation C1 ENERGY= 1035.1 kJ/mol
Energy+ZPE= 1008.1 kJ/mol ZPE= 0.0412114
CONNECTIONS:
o EQ155 o DDC295
[ TS903 ] Animation C1 ENERGY= 1109.3 kJ/mol
Energy+ZPE= 1079.3 kJ/mol ZPE= 0.0400636
CONNECTIONS:
o EQ156 o DDC296
[ TS904 ] Animation Cs ENERGY= 395.3 kJ/mol
Energy+ZPE= 384.3 kJ/mol ZPE= 0.0472983
CONNECTIONS:
o DDC298 o DDC297
[ TS905 ] Animation C1 ENERGY= 440.1 kJ/mol
Energy+ZPE= 421.2 kJ/mol ZPE= 0.0442990
CONNECTIONS:
o DDC300 o DDC299
[ TS906 ] Animation C1 ENERGY= 443.1 kJ/mol
Energy+ZPE= 423.4 kJ/mol ZPE= 0.0439739
CONNECTIONS:
o DDC302 o DDC301
[ TS907 ] Animation C1 ENERGY= 457.0 kJ/mol
Energy+ZPE= 435.0 kJ/mol ZPE= 0.0430966
CONNECTIONS:
o DDC304 o DDC303
[ TS908 ] Animation C1 ENERGY= 459.0 kJ/mol
Energy+ZPE= 436.6 kJ/mol ZPE= 0.0429663
CONNECTIONS:
o DDC306 o DDC305
[ TS909 ] Animation C1 ENERGY= 511.2 kJ/mol
Energy+ZPE= 480.0 kJ/mol ZPE= 0.0396160
CONNECTIONS:
o DDC308 o DDC307
[ TS910 ] Animation Cs ENERGY= 511.8 kJ/mol
Energy+ZPE= 486.0 kJ/mol ZPE= 0.0416599
CONNECTIONS:
o DDC310 o DDC309
[ TS911 ] Animation Cs ENERGY= 512.1 kJ/mol
Energy+ZPE= 497.6 kJ/mol ZPE= 0.0459471
CONNECTIONS:
o DDC312 o DDC311
[ TS912 ] Animation Cs ENERGY= 566.8 kJ/mol
Energy+ZPE= 542.3 kJ/mol ZPE= 0.0421607
CONNECTIONS:
o DDC314 o DDC313
[ TS913 ] Animation C1 ENERGY= 591.2 kJ/mol
Energy+ZPE= 567.1 kJ/mol ZPE= 0.0423175
CONNECTIONS:
o DDC316 o DDC315
[ TS914 ] Animation Cs ENERGY= 592.6 kJ/mol
Energy+ZPE= 580.8 kJ/mol ZPE= 0.0469754
CONNECTIONS:
o DDC318 o DDC317
[ TS915 ] Animation Cs ENERGY= 593.1 kJ/mol
Energy+ZPE= 572.7 kJ/mol ZPE= 0.0437079
CONNECTIONS:
o DDC320 o DDC319
[ TS916 ] Animation C1 ENERGY= 593.6 kJ/mol
Energy+ZPE= 568.2 kJ/mol ZPE= 0.0418228
CONNECTIONS:
o DDC322 o DDC321
[ TS917 ] Animation C1 ENERGY= 601.3 kJ/mol
Energy+ZPE= 585.0 kJ/mol ZPE= 0.0452975
CONNECTIONS:
o DDC324 o DDC323
[ TS918 ] Animation C1 ENERGY= 602.4 kJ/mol
Energy+ZPE= 575.6 kJ/mol ZPE= 0.0412914
CONNECTIONS:
o DDC326 o DDC325
[ TS919 ] Animation Cs ENERGY= 605.8 kJ/mol
Energy+ZPE= 586.6 kJ/mol ZPE= 0.0441777
CONNECTIONS:
o DDC328 o DDC327
[ TS920 ] Animation C1 ENERGY= 610.5 kJ/mol
Energy+ZPE= 592.2 kJ/mol ZPE= 0.0445149
CONNECTIONS:
o DDC330 o DDC329
[ TS921 ] Animation C1 ENERGY= 612.6 kJ/mol
Energy+ZPE= 594.0 kJ/mol ZPE= 0.0443844
CONNECTIONS:
o DDC332 o DDC331
[ TS922 ] Animation C1 ENERGY= 616.7 kJ/mol
Energy+ZPE= 584.5 kJ/mol ZPE= 0.0392188
CONNECTIONS:
o DDC334 o DDC333
[ TS923 ] Animation C1 ENERGY= 619.0 kJ/mol
Energy+ZPE= 599.4 kJ/mol ZPE= 0.0440341
CONNECTIONS:
o DDC336 o DDC335
[ TS924 ] Animation C1 ENERGY= 621.1 kJ/mol
Energy+ZPE= 581.4 kJ/mol ZPE= 0.0363632
CONNECTIONS:
o DDC338 o DDC337
[ TS925 ] Animation C1 ENERGY= 628.3 kJ/mol
Energy+ZPE= 604.5 kJ/mol ZPE= 0.0424384
CONNECTIONS:
o DDC340 o DDC339
[ TS926 ] Animation C1 ENERGY= 628.6 kJ/mol
Energy+ZPE= 604.4 kJ/mol ZPE= 0.0422789
CONNECTIONS:
o DDC342 o DDC341
[ TS927 ] Animation Cs ENERGY= 629.0 kJ/mol
Energy+ZPE= 601.4 kJ/mol ZPE= 0.0409850
CONNECTIONS:
o DDC344 o DDC343
[ TS928 ] Animation C1 ENERGY= 630.2 kJ/mol
Energy+ZPE= 616.3 kJ/mol ZPE= 0.0461843
CONNECTIONS:
o DDC346 o DDC345
[ TS929 ] Animation C1 ENERGY= 631.0 kJ/mol
Energy+ZPE= 606.9 kJ/mol ZPE= 0.0423146
CONNECTIONS:
o DDC348 o DDC347
[ TS930 ] Animation C1 ENERGY= 637.3 kJ/mol
Energy+ZPE= 616.3 kJ/mol ZPE= 0.0434884
CONNECTIONS:
o DDC350 o DDC349
[ TS931 ] Animation C1 ENERGY= 638.8 kJ/mol
Energy+ZPE= 617.2 kJ/mol ZPE= 0.0432462
CONNECTIONS:
o DDC352 o DDC351
[ TS932 ] Animation C1 ENERGY= 641.3 kJ/mol
Energy+ZPE= 617.5 kJ/mol ZPE= 0.0424076
CONNECTIONS:
o DDC354 o DDC353
[ TS933 ] Animation C1 ENERGY= 641.6 kJ/mol
Energy+ZPE= 623.4 kJ/mol ZPE= 0.0445691
CONNECTIONS:
o DDC356 o DDC355
[ TS934 ] Animation Cs ENERGY= 641.9 kJ/mol
Energy+ZPE= 619.1 kJ/mol ZPE= 0.0427849
CONNECTIONS:
o DDC358 o DDC357
[ TS935 ] Animation C1 ENERGY= 642.3 kJ/mol
Energy+ZPE= 623.5 kJ/mol ZPE= 0.0443136
CONNECTIONS:
o DDC360 o DDC359
[ TS936 ] Animation C1 ENERGY= 642.3 kJ/mol
Energy+ZPE= 623.7 kJ/mol ZPE= 0.0443931
CONNECTIONS:
o DDC362 o DDC361
[ TS937 ] Animation C1 ENERGY= 643.1 kJ/mol
Energy+ZPE= 620.0 kJ/mol ZPE= 0.0427039
CONNECTIONS:
o DDC364 o DDC363
[ TS938 ] Animation C1 ENERGY= 648.3 kJ/mol
Energy+ZPE= 611.4 kJ/mol ZPE= 0.0374398
CONNECTIONS:
o DDC366 o DDC365
[ TS939 ] Animation C1 ENERGY= 653.5 kJ/mol
Energy+ZPE= 623.3 kJ/mol ZPE= 0.0399848
CONNECTIONS:
o DDC368 o DDC367
[ TS940 ] Animation C1 ENERGY= 655.3 kJ/mol
Energy+ZPE= 629.6 kJ/mol ZPE= 0.0417059
CONNECTIONS:
o DDC370 o DDC369
[ TS941 ] Animation C1 ENERGY= 656.7 kJ/mol
Energy+ZPE= 629.4 kJ/mol ZPE= 0.0410826
CONNECTIONS:
o DDC372 o DDC371
[ TS942 ] Animation C1 ENERGY= 656.9 kJ/mol
Energy+ZPE= 631.3 kJ/mol ZPE= 0.0417452
CONNECTIONS:
o DDC374 o DDC373
[ TS943 ] Animation C1 ENERGY= 657.3 kJ/mol
Energy+ZPE= 633.1 kJ/mol ZPE= 0.0422630
CONNECTIONS:
o DDC376 o DDC375
[ TS944 ] Animation Cs ENERGY= 659.3 kJ/mol
Energy+ZPE= 634.9 kJ/mol ZPE= 0.0422071
CONNECTIONS:
o DDC378 o DDC377
[ TS945 ] Animation C1 ENERGY= 666.6 kJ/mol
Energy+ZPE= 640.2 kJ/mol ZPE= 0.0414343
CONNECTIONS:
o DDC380 o DDC379
[ TS946 ] Animation C1 ENERGY= 666.7 kJ/mol
Energy+ZPE= 643.6 kJ/mol ZPE= 0.0427013
CONNECTIONS:
o DDC382 o DDC381
[ TS947 ] Animation C1 ENERGY= 667.1 kJ/mol
Energy+ZPE= 642.1 kJ/mol ZPE= 0.0419704
CONNECTIONS:
o DDC384 o DDC383
[ TS948 ] Animation C1 ENERGY= 672.0 kJ/mol
Energy+ZPE= 642.9 kJ/mol ZPE= 0.0403880
CONNECTIONS:
o DDC386 o DDC385
[ TS949 ] Animation C1 ENERGY= 684.1 kJ/mol
Energy+ZPE= 666.7 kJ/mol ZPE= 0.0448777
CONNECTIONS:
o DDC388 o DDC387
[ TS950 ] Animation C1 ENERGY= 688.2 kJ/mol
Energy+ZPE= 651.3 kJ/mol ZPE= 0.0374467
CONNECTIONS:
o DDC390 o DDC389
[ TS951 ] Animation C1 ENERGY= 694.0 kJ/mol
Energy+ZPE= 655.2 kJ/mol ZPE= 0.0367238
CONNECTIONS:
o DDC392 o DDC391
[ TS952 ] Animation C1 ENERGY= 694.0 kJ/mol
Energy+ZPE= 659.1 kJ/mol ZPE= 0.0382047
CONNECTIONS:
o DDC394 o DDC393
[ TS953 ] Animation C1 ENERGY= 694.1 kJ/mol
Energy+ZPE= 669.6 kJ/mol ZPE= 0.0421445
CONNECTIONS:
o DDC396 o DDC395
[ TS954 ] Animation Cs ENERGY= 717.7 kJ/mol
Energy+ZPE= 680.5 kJ/mol ZPE= 0.0373247
CONNECTIONS:
o DDC398 o DDC397
[ TS955 ] Animation C1 ENERGY= 728.8 kJ/mol
Energy+ZPE= 719.2 kJ/mol ZPE= 0.0478399
CONNECTIONS:
o DDC400 o DDC399
[ TS956 ] Animation C1 ENERGY= 750.8 kJ/mol
Energy+ZPE= 733.4 kJ/mol ZPE= 0.0448751
CONNECTIONS:
o DDC402 o DDC401
[ TS957 ] Animation Cs ENERGY= 757.7 kJ/mol
Energy+ZPE= 740.1 kJ/mol ZPE= 0.0447949
CONNECTIONS:
o DDC404 o DDC403
[ TS958 ] Animation C1 ENERGY= 759.0 kJ/mol
Energy+ZPE= 738.5 kJ/mol ZPE= 0.0436954
CONNECTIONS:
o DDC406 o DDC405
[ TS959 ] Animation C1 ENERGY= 760.7 kJ/mol
Energy+ZPE= 729.6 kJ/mol ZPE= 0.0396296
CONNECTIONS:
o DDC408 o DDC407
[ TS960 ] Animation C1 ENERGY= 779.1 kJ/mol
Energy+ZPE= 758.3 kJ/mol ZPE= 0.0435552
CONNECTIONS:
o DDC410 o DDC409
[ TS961 ] Animation C1 ENERGY= 792.5 kJ/mol
Energy+ZPE= 772.9 kJ/mol ZPE= 0.0440331
CONNECTIONS:
o DDC412 o DDC411
[ TS962 ] Animation C1 ENERGY= 794.2 kJ/mol
Energy+ZPE= 774.0 kJ/mol ZPE= 0.0437891
CONNECTIONS:
o DDC414 o DDC413
[ TS963 ] Animation Cs ENERGY= 796.7 kJ/mol
Energy+ZPE= 781.6 kJ/mol ZPE= 0.0457486
CONNECTIONS:
o DDC416 o DDC415
[ TS964 ] Animation Cs ENERGY= 804.9 kJ/mol
Energy+ZPE= 781.9 kJ/mol ZPE= 0.0427275
CONNECTIONS:
o DDC418 o DDC417
[ TS965 ] Animation C1 ENERGY= 806.0 kJ/mol
Energy+ZPE= 777.6 kJ/mol ZPE= 0.0406851
CONNECTIONS:
o DDC420 o DDC419
[ TS966 ] Animation Cs ENERGY= 811.3 kJ/mol
Energy+ZPE= 787.3 kJ/mol ZPE= 0.0423405
CONNECTIONS:
o DDC422 o DDC421
[ TS967 ] Animation C1 ENERGY= 817.0 kJ/mol
Energy+ZPE= 790.6 kJ/mol ZPE= 0.0414449
CONNECTIONS:
o DDC424 o DDC423
[ TS968 ] Animation C1 ENERGY= 820.1 kJ/mol
Energy+ZPE= 792.4 kJ/mol ZPE= 0.0409257
CONNECTIONS:
o DDC426 o DDC425
[ TS969 ] Animation C1 ENERGY= 829.9 kJ/mol
Energy+ZPE= 804.6 kJ/mol ZPE= 0.0418641
CONNECTIONS:
o DDC428 o DDC427
[ TS970 ] Animation C1 ENERGY= 836.9 kJ/mol
Energy+ZPE= 822.0 kJ/mol ZPE= 0.0458172
CONNECTIONS:
o DDC430 o DDC429
[ TS971 ] Animation Cs ENERGY= 837.3 kJ/mol
Energy+ZPE= 813.4 kJ/mol ZPE= 0.0423802
CONNECTIONS:
o DDC432 o DDC431
[ TS972 ] Animation C1 ENERGY= 842.2 kJ/mol
Energy+ZPE= 814.5 kJ/mol ZPE= 0.0409350
CONNECTIONS:
o DDC434 o DDC433
[ TS973 ] Animation C1 ENERGY= 844.4 kJ/mol
Energy+ZPE= 818.5 kJ/mol ZPE= 0.0416341
CONNECTIONS:
o DDC436 o DDC435
[ TS974 ] Animation C1 ENERGY= 844.8 kJ/mol
Energy+ZPE= 808.0 kJ/mol ZPE= 0.0374872
CONNECTIONS:
o DDC438 o DDC437
[ TS975 ] Animation C1 ENERGY= 847.6 kJ/mol
Energy+ZPE= 819.4 kJ/mol ZPE= 0.0407530
CONNECTIONS:
o DDC440 o DDC439
[ TS976 ] Animation C1 ENERGY= 849.7 kJ/mol
Energy+ZPE= 822.2 kJ/mol ZPE= 0.0410047
CONNECTIONS:
o DDC442 o DDC441
[ TS977 ] Animation C1 ENERGY= 870.4 kJ/mol
Energy+ZPE= 828.0 kJ/mol ZPE= 0.0353259
CONNECTIONS:
o DDC444 o DDC443
[ TS978 ] Animation C1 ENERGY= 880.9 kJ/mol
Energy+ZPE= 834.2 kJ/mol ZPE= 0.0337138
CONNECTIONS:
o DDC446 o DDC445
[ TS979 ] Animation C1 ENERGY= 892.1 kJ/mol
Energy+ZPE= 863.3 kJ/mol ZPE= 0.0405321
CONNECTIONS:
o DDC448 o DDC447
[ TS980 ] Animation C1 ENERGY= 898.3 kJ/mol
Energy+ZPE= 870.2 kJ/mol ZPE= 0.0407667
CONNECTIONS:
o DDC450 o DDC449
[ TS981 ] Animation C1 ENERGY= 910.1 kJ/mol
Energy+ZPE= 877.2 kJ/mol ZPE= 0.0389589
CONNECTIONS:
o DDC452 o DDC451
[ TS982 ] Animation C1 ENERGY= 911.5 kJ/mol
Energy+ZPE= 891.0 kJ/mol ZPE= 0.0436900
CONNECTIONS:
o DDC454 o DDC453
[ TS983 ] Animation C1 ENERGY= 921.0 kJ/mol
Energy+ZPE= 895.2 kJ/mol ZPE= 0.0416490
CONNECTIONS:
o DDC456 o DDC455
[ TS984 ] Animation C1 ENERGY= 933.8 kJ/mol
Energy+ZPE= 899.4 kJ/mol ZPE= 0.0383740
CONNECTIONS:
o DDC458 o DDC457
[ TS985 ] Animation C1 ENERGY= 967.2 kJ/mol
Energy+ZPE= 929.0 kJ/mol ZPE= 0.0369205
CONNECTIONS:
o DDC460 o DDC459
[ TS986 ] Animation C1 ENERGY= 968.3 kJ/mol
Energy+ZPE= 931.8 kJ/mol ZPE= 0.0375903
CONNECTIONS:
o DDC462 o DDC461
[ TS987 ] Animation C1 ENERGY= 972.3 kJ/mol
Energy+ZPE= 950.0 kJ/mol ZPE= 0.0430052
CONNECTIONS:
o DDC464 o DDC463
[ TS988 ] Animation C1 ENERGY= 994.0 kJ/mol
Energy+ZPE= 946.1 kJ/mol ZPE= 0.0332251
CONNECTIONS:
o DDC466 o DDC465
[ TS989 ] Animation C1 ENERGY= 1024.5 kJ/mol
Energy+ZPE= 993.5 kJ/mol ZPE= 0.0396678
CONNECTIONS:
o DDC468 o DDC467
[ TS990 ] Animation Cs ENERGY= 1078.6 kJ/mol
Energy+ZPE= 1046.3 kJ/mol ZPE= 0.0391671
CONNECTIONS:
o DDC470 o DDC469
[ TS991 ] Animation C1 ENERGY= 1080.0 kJ/mol
Energy+ZPE= 1062.6 kJ/mol ZPE= 0.0448595
CONNECTIONS:
o DDC472 o DDC471
[ TS992 ] Animation Cs ENERGY= 1092.9 kJ/mol
Energy+ZPE= 1062.4 kJ/mol ZPE= 0.0398538
CONNECTIONS:
o DDC474 o DDC473
[ TS993 ] Animation C1 ENERGY= 1095.3 kJ/mol
Energy+ZPE= 1061.8 kJ/mol ZPE= 0.0387400
CONNECTIONS:
o DDC476 o DDC475
[ TS994 ] Animation C1 ENERGY= 1102.0 kJ/mol
Energy+ZPE= 1073.3 kJ/mol ZPE= 0.0405654
CONNECTIONS:
o DDC478 o DDC477
[ TS995 ] Animation C1 ENERGY= 576.9 kJ/mol
Energy+ZPE= 554.7 kJ/mol ZPE= 0.0430476
CONNECTIONS:
o xx o EQ12
[ TS996 ] Animation C2 ENERGY= 676.3 kJ/mol
Energy+ZPE= 654.5 kJ/mol ZPE= 0.0431660
CONNECTIONS:
o xx o EQ15
[ TS997 ] Animation C1 ENERGY= 482.5 kJ/mol
Energy+ZPE= 473.7 kJ/mol ZPE= 0.0481173
CONNECTIONS:
o xx o EQ24
[ TS998 ] Animation C1 ENERGY= 609.3 kJ/mol
Energy+ZPE= 594.4 kJ/mol ZPE= 0.0458301
CONNECTIONS:
o xx o EQ27
[ TS999 ] Animation C1 ENERGY= 543.3 kJ/mol
Energy+ZPE= 522.2 kJ/mol ZPE= 0.0434587
CONNECTIONS:
o xx o EQ33
[ TS1000 ] Animation C1 ENERGY= 744.9 kJ/mol
Energy+ZPE= 730.7 kJ/mol ZPE= 0.0460735
CONNECTIONS:
o xx o EQ106
[ TS1001 ] Animation Cs ENERGY= 683.5 kJ/mol
Energy+ZPE= 662.8 kJ/mol ZPE= 0.0436136
CONNECTIONS:
o xx o EQ114
[ TS1002 ] Animation C1 ENERGY= 755.5 kJ/mol
Energy+ZPE= 736.3 kJ/mol ZPE= 0.0441690
CONNECTIONS:
o xx o EQ121
[ TS1003 ] Animation C1 ENERGY= 902.9 kJ/mol
Energy+ZPE= 865.0 kJ/mol ZPE= 0.0370427
CONNECTIONS:
o xx o EQ128
[ TS1004 ] Animation C1 ENERGY= 479.0 kJ/mol
Energy+ZPE= 460.6 kJ/mol ZPE= 0.0444790
CONNECTIONS:
o xx o DC
[ TS1005 ] Animation Cs ENERGY= 641.6 kJ/mol
Energy+ZPE= 618.8 kJ/mol ZPE= 0.0427848
CONNECTIONS:
o xx o DC
[ TS1006 ] Animation C1 ENERGY= 660.4 kJ/mol
Energy+ZPE= 634.6 kJ/mol ZPE= 0.0416725
CONNECTIONS:
o xx o DC
[ TS1007 ] Animation Cs ENERGY= 746.2 kJ/mol
Energy+ZPE= 718.7 kJ/mol ZPE= 0.0410000
CONNECTIONS:
o xx o DC
[ TS1008 ] Animation C1 ENERGY= 502.1 kJ/mol
Energy+ZPE= 493.7 kJ/mol ZPE= 0.0482807
CONNECTIONS:
o xx o xx
[ TS1009 ] Animation C1 ENERGY= 532.5 kJ/mol
Energy+ZPE= 511.7 kJ/mol ZPE= 0.0435787
CONNECTIONS:
o xx o xx
[ TS1010 ] Animation C1 ENERGY= 593.4 kJ/mol
Energy+ZPE= 575.4 kJ/mol ZPE= 0.0446365
CONNECTIONS:
o xx o xx
[ TS1011 ] Animation C1 ENERGY= 663.8 kJ/mol
Energy+ZPE= 638.5 kJ/mol ZPE= 0.0418558
CONNECTIONS:
o xx o xx
[ TS1012 ] Animation C1 ENERGY= 667.2 kJ/mol
Energy+ZPE= 644.3 kJ/mol ZPE= 0.0427839
CONNECTIONS:
o xx o xx
[ TS1013 ] Animation Cs ENERGY= 712.4 kJ/mol
Energy+ZPE= 686.8 kJ/mol ZPE= 0.0417268
CONNECTIONS:
o xx o xx
[ TS1014 ] Animation C1 ENERGY= 791.4 kJ/mol
Energy+ZPE= 777.5 kJ/mol ZPE= 0.0461803
CONNECTIONS:
o xx o xx
[ TS1015 ] Animation C1 ENERGY= 847.9 kJ/mol
Energy+ZPE= 821.4 kJ/mol ZPE= 0.0413882
CONNECTIONS:
o xx o xx
[ TS1016 ] Animation Cs ENERGY= 880.2 kJ/mol
Energy+ZPE= 859.5 kJ/mol ZPE= 0.0436024
CONNECTIONS:
o xx o xx
[ TS1017 ] Animation C1 ENERGY= 948.0 kJ/mol
Energy+ZPE= 926.3 kJ/mol ZPE= 0.0432097
CONNECTIONS:
o xx o xx
[ TS1018 ] Animation C1 ENERGY= 1040.4 kJ/mol
Energy+ZPE= 1015.0 kJ/mol ZPE= 0.0418120
CONNECTIONS:
o xx o xx
[ TS1019 ] Animation C1 ENERGY= 1052.5 kJ/mol
Energy+ZPE= 1026.1 kJ/mol ZPE= 0.0414177
CONNECTIONS:
o xx o xx
[ TS1020 ] Animation C1 ENERGY= 1081.1 kJ/mol
Energy+ZPE= 1050.5 kJ/mol ZPE= 0.0398406
CONNECTIONS:
o xx o xx
[ DDC0 ]
C1 ENERGY= 109.4 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS12 o EQ0
[ DDC1 ]
Cs ENERGY= -2.5 kJ/mol
FRAGMENTS:
CO2 H3N
CONNECTIONS:
o TS22 o EQ1
[ DDC2 ]
C1 ENERGY= 393.7 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS23 o EQ1
[ DDC3 ]
C1 ENERGY= 396.2 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS24 o EQ1
[ DDC4 ]
C1 ENERGY= 544.4 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS26 o EQ2
[ DDC5 ]
C1 ENERGY= 118.4 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS34 o EQ3
[ DDC6 ]
C1 ENERGY= 229.4 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS35 o EQ3
[ DDC7 ]
C1 ENERGY= 97.8 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS46 o EQ5
[ DDC8 ]
C1 ENERGY= 195.9 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS52 o EQ6
[ DDC9 ]
C1 ENERGY= 327.3 kJ/mol
FRAGMENTS:
CO H3NO
CONNECTIONS:
o TS79 o EQ9
[ DDC10 ]
C1 ENERGY= 464.5 kJ/mol
FRAGMENTS:
HCO2 H2N
CONNECTIONS:
o TS80 o EQ9
[ DDC11 ]
C1 ENERGY= 603.9 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS81 o EQ9
[ DDC12 ]
C1 ENERGY= 438.9 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS82 o EQ9
[ DDC13 ]
Cs ENERGY= 630.4 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS83 o EQ9
[ DDC14 ]
C1 ENERGY= 628.9 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS84 o EQ9
[ DDC15 ]
C1 ENERGY= 854.2 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS85 o EQ9
[ DDC16 ]
C1 ENERGY= 610.0 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS86 o EQ9
[ DDC17 ]
Cs ENERGY= 381.3 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS94 o EQ10
[ DDC18 ]
Cs ENERGY= 10.2 kJ/mol
FRAGMENTS:
CO2 H3N
CONNECTIONS:
o TS95 o EQ10
[ DDC19 ]
C1 ENERGY= 591.3 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS96 o EQ10
[ DDC20 ]
C1 ENERGY= 308.7 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS125 o EQ11
[ DDC21 ]
C1 ENERGY= 379.6 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS126 o EQ11
[ DDC22 ]
C1 ENERGY= 432.2 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS127 o EQ11
[ DDC23 ]
C1 ENERGY= 514.1 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS145 o EQ12
[ DDC24 ]
C1 ENERGY= 292.6 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS146 o EQ12
[ DDC25 ]
C1 ENERGY= 317.2 kJ/mol
FRAGMENTS:
CO H3NO
CONNECTIONS:
o TS147 o EQ12
[ DDC26 ]
C1 ENERGY= 312.9 kJ/mol
FRAGMENTS:
CO H3NO
CONNECTIONS:
o TS148 o EQ12
[ DDC27 ]
C1 ENERGY= 592.8 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS149 o EQ12
[ DDC28 ]
C1 ENERGY= 602.7 kJ/mol
FRAGMENTS:
H2NO HCO
CONNECTIONS:
o TS150 o EQ12
[ DDC29 ]
C1 ENERGY= 373.2 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS151 o EQ12
[ DDC30 ]
C1 ENERGY= 122.9 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS164 o EQ13
[ DDC31 ]
C1 ENERGY= 480.6 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS165 o EQ13
[ DDC32 ]
C1 ENERGY= 470.2 kJ/mol
FRAGMENTS:
CO HNO H H
CONNECTIONS:
o TS166 o EQ14
[ DDC33 ]
C1 ENERGY= 271.0 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS180 o EQ15
[ DDC34 ]
C1 ENERGY= 509.1 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS181 o EQ15
[ DDC35 ]
Cs ENERGY= 385.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS189 o EQ16
[ DDC36 ]
C1 ENERGY= 440.5 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS190 o EQ16
[ DDC37 ]
C1 ENERGY= 382.7 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS199 o EQ17
[ DDC38 ]
C1 ENERGY= 441.5 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS200 o EQ17
[ DDC39 ]
Cs ENERGY= 419.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS201 o EQ17
[ DDC40 ]
C1 ENERGY= 800.6 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS202 o EQ17
[ DDC41 ]
C1 ENERGY= 264.6 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS215 o EQ18
[ DDC42 ]
Cs ENERGY= 370.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS216 o EQ18
[ DDC43 ]
C1 ENERGY= 539.3 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS223 o EQ19
[ DDC44 ]
C1 ENERGY= 313.7 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS232 o EQ20
[ DDC45 ]
C1 ENERGY= 501.7 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS236 o EQ21
[ DDC46 ]
Cs ENERGY= 394.5 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS237 o EQ21
[ DDC47 ]
C1 ENERGY= 765.2 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS238 o EQ22
[ DDC48 ]
C1 ENERGY= 434.8 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS242 o EQ23
[ DDC49 ]
C1 ENERGY= 560.4 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS248 o EQ24
[ DDC50 ]
C1 ENERGY= 557.7 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS249 o EQ24
[ DDC51 ]
C1 ENERGY= 399.2 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS250 o EQ24
[ DDC52 ]
Cs ENERGY= 399.1 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS257 o EQ25
[ DDC53 ]
C1 ENERGY= 600.1 kJ/mol
FRAGMENTS:
HCO NO H H
CONNECTIONS:
o TS258 o EQ25
[ DDC54 ]
C1 ENERGY= 600.4 kJ/mol
FRAGMENTS:
HCO NO H H
CONNECTIONS:
o TS259 o EQ25
[ DDC55 ]
Cs ENERGY= 415.7 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS269 o EQ26
[ DDC56 ]
C1 ENERGY= 461.8 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS270 o EQ26
[ DDC57 ]
C1 ENERGY= 400.2 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS271 o EQ26
[ DDC58 ]
C1 ENERGY= 613.5 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS272 o EQ26
[ DDC59 ]
C1 ENERGY= 430.2 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS277 o EQ27
[ DDC60 ]
Cs ENERGY= 554.4 kJ/mol
FRAGMENTS:
NO2 H3C
CONNECTIONS:
o TS278 o EQ27
[ DDC61 ]
C1 ENERGY= 645.8 kJ/mol
FRAGMENTS:
HCO NO H H
CONNECTIONS:
o TS279 o EQ27
[ DDC62 ]
C1 ENERGY= 668.0 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS280 o EQ27
[ DDC63 ]
C1 ENERGY= 608.7 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS281 o EQ27
[ DDC64 ]
Cs ENERGY= 588.3 kJ/mol
FRAGMENTS:
NO2 H3C
CONNECTIONS:
o TS282 o EQ27
[ DDC65 ]
C1 ENERGY= 458.0 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS289 o EQ28
[ DDC66 ]
C1 ENERGY= 465.6 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS297 o EQ29
[ DDC67 ]
C1 ENERGY= 542.8 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS298 o EQ29
[ DDC68 ]
C1 ENERGY= 613.2 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS299 o EQ29
[ DDC69 ]
C1 ENERGY= 445.6 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS313 o EQ30
[ DDC70 ]
C1 ENERGY= 398.1 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS323 o EQ32
[ DDC71 ]
C1 ENERGY= 479.4 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS324 o EQ32
[ DDC72 ]
C1 ENERGY= 455.4 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS327 o EQ33
[ DDC73 ]
C1 ENERGY= 694.9 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS329 o EQ34
[ DDC74 ]
C1 ENERGY= 432.7 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS338 o EQ35
[ DDC75 ]
Cs ENERGY= 399.1 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS339 o EQ35
[ DDC76 ]
Cs ENERGY= 432.7 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS341 o EQ36
[ DDC77 ]
C1 ENERGY= 451.6 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS353 o EQ37
[ DDC78 ]
C1 ENERGY= 514.8 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS367 o EQ38
[ DDC79 ]
Cs ENERGY= 727.2 kJ/mol
FRAGMENTS:
O2 HCN H H
CONNECTIONS:
o TS368 o EQ38
[ DDC80 ]
C1 ENERGY= 449.1 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS380 o EQ39
[ DDC81 ]
Cs ENERGY= 146.2 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS381 o EQ39
[ DDC82 ]
C1 ENERGY= 668.6 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS382 o EQ39
[ DDC83 ]
C1 ENERGY= 783.8 kJ/mol
FRAGMENTS:
HO2 H2CN
CONNECTIONS:
o TS383 o EQ39
[ DDC84 ]
C1 ENERGY= 297.2 kJ/mol
FRAGMENTS:
CO H3NO
CONNECTIONS:
o TS388 o EQ40
[ DDC85 ]
C1 ENERGY= 438.0 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS389 o EQ40
[ DDC86 ]
Cs ENERGY= 592.2 kJ/mol
FRAGMENTS:
CO2 H3N
CONNECTIONS:
o TS397 o EQ41
[ DDC87 ]
C1 ENERGY= 852.1 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS398 o EQ41
[ DDC88 ]
C1 ENERGY= 613.6 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS399 o EQ41
[ DDC89 ]
C1 ENERGY= 124.4 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS415 o EQ43
[ DDC90 ]
C1 ENERGY= 852.1 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS416 o EQ43
[ DDC91 ]
Cs ENERGY= 21.3 kJ/mol
FRAGMENTS:
CO2 H3N
CONNECTIONS:
o TS422 o EQ44
[ DDC92 ]
Cs ENERGY= 387.3 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS423 o EQ44
[ DDC93 ]
C1 ENERGY= 399.2 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS432 o EQ45
[ DDC94 ]
C1 ENERGY= 227.3 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS447 o EQ46
[ DDC95 ]
C1 ENERGY= 809.9 kJ/mol
FRAGMENTS:
H2NO HCO
CONNECTIONS:
o TS448 o EQ46
[ DDC96 ]
C1 ENERGY= 880.1 kJ/mol
FRAGMENTS:
H2NO CO H
CONNECTIONS:
o TS449 o EQ46
[ DDC97 ]
C1 ENERGY= 110.4 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS458 o EQ47
[ DDC98 ]
C1 ENERGY= 311.4 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS459 o EQ47
[ DDC99 ]
C1 ENERGY= 524.1 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS460 o EQ47
[ DDC100 ]
C1 ENERGY= 540.5 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS463 o EQ48
[ DDC101 ]
C1 ENERGY= 324.4 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS473 o EQ49
[ DDC102 ]
C1 ENERGY= 645.8 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS474 o EQ49
[ DDC103 ]
C1 ENERGY= 556.6 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS475 o EQ49
[ DDC104 ]
C1 ENERGY= 309.3 kJ/mol
FRAGMENTS:
CO H3NO
CONNECTIONS:
o TS484 o EQ50
[ DDC105 ]
C1 ENERGY= 316.1 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS485 o EQ50
[ DDC106 ]
C1 ENERGY= 558.4 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS486 o EQ50
[ DDC107 ]
C1 ENERGY= 447.1 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS494 o EQ52
[ DDC108 ]
C1 ENERGY= 425.5 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS495 o EQ52
[ DDC109 ]
C1 ENERGY= 456.3 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS496 o EQ52
[ DDC110 ]
C1 ENERGY= 522.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS497 o EQ52
[ DDC111 ]
C1 ENERGY= 393.9 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS501 o EQ53
[ DDC112 ]
C1 ENERGY= 558.9 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS502 o EQ53
[ DDC113 ]
C1 ENERGY= 119.4 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS508 o EQ54
[ DDC114 ]
C1 ENERGY= 723.7 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS509 o EQ54
[ DDC115 ]
C1 ENERGY= 572.5 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS518 o EQ55
[ DDC116 ]
C1 ENERGY= 320.6 kJ/mol
FRAGMENTS:
CO H3NO
CONNECTIONS:
o TS519 o EQ56
[ DDC117 ]
C1 ENERGY= 234.3 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS520 o EQ56
[ DDC118 ]
C1 ENERGY= 378.9 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS521 o EQ56
[ DDC119 ]
C1 ENERGY= 334.6 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS522 o EQ56
[ DDC120 ]
C1 ENERGY= 669.4 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS523 o EQ56
[ DDC121 ]
C1 ENERGY= 487.6 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS528 o EQ57
[ DDC122 ]
C1 ENERGY= 370.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS529 o EQ58
[ DDC123 ]
C1 ENERGY= 445.0 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS530 o EQ58
[ DDC124 ]
C1 ENERGY= 433.8 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS539 o EQ59
[ DDC125 ]
C1 ENERGY= 514.8 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS540 o EQ59
[ DDC126 ]
Cs ENERGY= 33.0 kJ/mol
FRAGMENTS:
CO2 H3N
CONNECTIONS:
o TS541 o EQ60
[ DDC127 ]
C1 ENERGY= 481.5 kJ/mol
FRAGMENTS:
HNO CO H H
CONNECTIONS:
o TS542 o EQ60
[ DDC128 ]
C1 ENERGY= 573.9 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS543 o EQ61
[ DDC129 ]
C1 ENERGY= 459.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS544 o EQ61
[ DDC130 ]
C1 ENERGY= 852.1 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS547 o EQ62
[ DDC131 ]
C1 ENERGY= 671.0 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS554 o EQ63
[ DDC132 ]
C1 ENERGY= 706.3 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS555 o EQ63
[ DDC133 ]
C1 ENERGY= 558.8 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS563 o EQ64
[ DDC134 ]
C1 ENERGY= 552.5 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS564 o EQ64
[ DDC135 ]
C1 ENERGY= 669.0 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS568 o EQ65
[ DDC136 ]
C1 ENERGY= 655.8 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS572 o EQ66
[ DDC137 ]
C1 ENERGY= 639.7 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o TS573 o EQ66
[ DDC138 ]
C1 ENERGY= 656.4 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS574 o EQ67
[ DDC139 ]
C1 ENERGY= 399.1 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS575 o EQ67
[ DDC140 ]
C1 ENERGY= 551.2 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o TS576 o EQ67
[ DDC141 ]
C1 ENERGY= 668.4 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS577 o EQ67
[ DDC142 ]
C1 ENERGY= 629.4 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS578 o EQ67
[ DDC143 ]
C1 ENERGY= 592.2 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS579 o EQ67
[ DDC144 ]
C1 ENERGY= 438.7 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS580 o EQ67
[ DDC145 ]
C1 ENERGY= 635.5 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS582 o EQ68
[ DDC146 ]
C1 ENERGY= 422.2 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS586 o EQ70
[ DDC147 ]
Cs ENERGY= 399.0 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS587 o EQ70
[ DDC148 ]
C1 ENERGY= 403.4 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS588 o EQ70
[ DDC149 ]
C1 ENERGY= 423.8 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS589 o EQ70
[ DDC150 ]
C1 ENERGY= 413.4 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS590 o EQ70
[ DDC151 ]
Cs ENERGY= 678.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS591 o EQ70
[ DDC152 ]
Cs ENERGY= 679.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS592 o EQ70
[ DDC153 ]
C1 ENERGY= 396.3 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS602 o EQ71
[ DDC154 ]
C1 ENERGY= 668.5 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS603 o EQ71
[ DDC155 ]
C1 ENERGY= 483.3 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS604 o EQ71
[ DDC156 ]
C1 ENERGY= 456.3 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS612 o EQ73
[ DDC157 ]
C1 ENERGY= 441.4 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS615 o EQ74
[ DDC158 ]
C1 ENERGY= 503.8 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS619 o EQ75
[ DDC159 ]
C1 ENERGY= 653.2 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS622 o EQ76
[ DDC160 ]
C1 ENERGY= 823.9 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS623 o EQ76
[ DDC161 ]
C1 ENERGY= 481.3 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS629 o EQ77
[ DDC162 ]
C1 ENERGY= 482.4 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS630 o EQ77
[ DDC163 ]
C1 ENERGY= 801.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS631 o EQ77
[ DDC164 ]
C1 ENERGY= 461.4 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS632 o EQ78
[ DDC165 ]
Cs ENERGY= 399.2 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS634 o EQ79
[ DDC166 ]
C1 ENERGY= 399.2 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS635 o EQ79
[ DDC167 ]
Cs ENERGY= 433.5 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS639 o EQ80
[ DDC168 ]
C1 ENERGY= 540.5 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS640 o EQ81
[ DDC169 ]
C1 ENERGY= 595.0 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS644 o EQ82
[ DDC170 ]
Cs ENERGY= 399.1 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS645 o EQ82
[ DDC171 ]
Cs ENERGY= 399.0 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS646 o EQ82
[ DDC172 ]
C1 ENERGY= 416.1 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS647 o EQ82
[ DDC173 ]
C1 ENERGY= 625.3 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS648 o EQ82
[ DDC174 ]
C1 ENERGY= 781.3 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS649 o EQ82
[ DDC175 ]
C1 ENERGY= 385.7 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS650 o EQ84
[ DDC176 ]
C1 ENERGY= 449.3 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS651 o EQ84
[ DDC177 ]
C1 ENERGY= 438.1 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS659 o EQ85
[ DDC178 ]
C1 ENERGY= 454.3 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS660 o EQ85
[ DDC179 ]
C1 ENERGY= 435.6 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS661 o EQ85
[ DDC180 ]
C1 ENERGY= 672.3 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS662 o EQ85
[ DDC181 ]
C1 ENERGY= 783.2 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS663 o EQ85
[ DDC182 ]
C1 ENERGY= 588.6 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS668 o EQ86
[ DDC183 ]
C1 ENERGY= 396.6 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS675 o EQ87
[ DDC184 ]
Cs ENERGY= 433.7 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS681 o EQ88
[ DDC185 ]
C1 ENERGY= 636.0 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS682 o EQ88
[ DDC186 ]
C1 ENERGY= 441.5 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS689 o EQ90
[ DDC187 ]
Cs ENERGY= 468.2 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS695 o EQ92
[ DDC188 ]
C1 ENERGY= 574.5 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS696 o EQ93
[ DDC189 ]
C1 ENERGY= 432.1 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS697 o EQ93
[ DDC190 ]
C1 ENERGY= 418.7 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS698 o EQ93
[ DDC191 ]
C1 ENERGY= 379.9 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS701 o EQ94
[ DDC192 ]
C1 ENERGY= 844.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o TS702 o EQ94
[ DDC193 ]
C1 ENERGY= 469.9 kJ/mol
FRAGMENTS:
NO H3CO
CONNECTIONS:
o TS703 o EQ95
[ DDC194 ]
C1 ENERGY= 313.5 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS704 o EQ96
[ DDC195 ]
C1 ENERGY= 660.2 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS705 o EQ96
[ DDC196 ]
C1 ENERGY= 389.1 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS713 o EQ100
[ DDC197 ]
C1 ENERGY= 592.7 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS714 o EQ100
[ DDC198 ]
C1 ENERGY= 604.2 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS715 o EQ100
[ DDC199 ]
C1 ENERGY= 868.5 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS716 o EQ100
[ DDC200 ]
C1 ENERGY= 853.6 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS717 o EQ100
[ DDC201 ]
C1 ENERGY= 487.4 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS723 o EQ101
[ DDC202 ]
C1 ENERGY= 757.8 kJ/mol
FRAGMENTS:
O2 HCN H H
CONNECTIONS:
o TS724 o EQ101
[ DDC203 ]
C1 ENERGY= 467.4 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS727 o EQ103
[ DDC204 ]
Cs ENERGY= 628.6 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS728 o EQ103
[ DDC205 ]
C1 ENERGY= 438.8 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS731 o EQ104
[ DDC206 ]
C1 ENERGY= 443.1 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS732 o EQ104
[ DDC207 ]
C1 ENERGY= 804.1 kJ/mol
FRAGMENTS:
HO2 H2CN
CONNECTIONS:
o TS733 o EQ104
[ DDC208 ]
C1 ENERGY= 607.5 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS737 o EQ105
[ DDC209 ]
C1 ENERGY= 435.8 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS738 o EQ105
[ DDC210 ]
C1 ENERGY= 594.9 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS739 o EQ105
[ DDC211 ]
C1 ENERGY= 444.7 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS740 o EQ105
[ DDC212 ]
C1 ENERGY= 449.4 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS741 o EQ105
[ DDC213 ]
C1 ENERGY= 602.3 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS742 o EQ105
[ DDC214 ]
C1 ENERGY= 487.4 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS743 o EQ105
[ DDC215 ]
C1 ENERGY= 958.2 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS748 o EQ106
[ DDC216 ]
C1 ENERGY= 967.4 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS749 o EQ106
[ DDC217 ]
Cs ENERGY= 628.6 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS752 o EQ107
[ DDC218 ]
C1 ENERGY= 572.6 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS753 o EQ108
[ DDC219 ]
Cs ENERGY= 392.3 kJ/mol
FRAGMENTS:
H3O CNO
CONNECTIONS:
o TS754 o EQ108
[ DDC220 ]
C1 ENERGY= 509.6 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS755 o EQ108
[ DDC221 ]
C1 ENERGY= 614.3 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS756 o EQ109
[ DDC222 ]
C1 ENERGY= 412.8 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS757 o EQ109
[ DDC223 ]
C1 ENERGY= 624.8 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS758 o EQ109
[ DDC224 ]
C1 ENERGY= 549.1 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS767 o EQ112
[ DDC225 ]
C1 ENERGY= 446.2 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS774 o EQ113
[ DDC226 ]
C1 ENERGY= 447.3 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS775 o EQ113
[ DDC227 ]
C1 ENERGY= 852.0 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS776 o EQ113
[ DDC228 ]
Cs ENERGY= 636.5 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS778 o EQ114
[ DDC229 ]
Cs ENERGY= 484.8 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS779 o EQ115
[ DDC230 ]
C1 ENERGY= 448.4 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS783 o EQ116
[ DDC231 ]
C1 ENERGY= 561.8 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS784 o EQ116
[ DDC232 ]
C1 ENERGY= 445.9 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS788 o EQ117
[ DDC233 ]
C1 ENERGY= 645.7 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS793 o EQ118
[ DDC234 ]
C1 ENERGY= 467.4 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS794 o EQ118
[ DDC235 ]
C1 ENERGY= 446.5 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS795 o EQ118
[ DDC236 ]
C1 ENERGY= 436.5 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS797 o EQ119
[ DDC237 ]
C1 ENERGY= 435.8 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS798 o EQ119
[ DDC238 ]
C1 ENERGY= 444.5 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS799 o EQ119
[ DDC239 ]
C1 ENERGY= 560.5 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS800 o EQ119
[ DDC240 ]
Cs ENERGY= 529.7 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS801 o EQ120
[ DDC241 ]
C1 ENERGY= 496.4 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS804 o EQ121
[ DDC242 ]
C1 ENERGY= 615.6 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS805 o EQ122
[ DDC243 ]
C1 ENERGY= 442.1 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS806 o EQ122
[ DDC244 ]
C1 ENERGY= 601.3 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS807 o EQ122
[ DDC245 ]
C1 ENERGY= 535.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS808 o EQ122
[ DDC246 ]
C1 ENERGY= 331.7 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS809 o EQ123
[ DDC247 ]
C1 ENERGY= 658.3 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS810 o EQ123
[ DDC248 ]
C1 ENERGY= 880.6 kJ/mol
FRAGMENTS:
H2NO CO H
CONNECTIONS:
o TS811 o EQ123
[ DDC249 ]
C1 ENERGY= 648.3 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS812 o EQ125
[ DDC250 ]
C1 ENERGY= 648.6 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS813 o EQ125
[ DDC251 ]
C1 ENERGY= 703.8 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS815 o EQ126
[ DDC252 ]
C1 ENERGY= 776.8 kJ/mol
FRAGMENTS:
HO2 H2CN
CONNECTIONS:
o TS818 o EQ130
[ DDC253 ]
C1 ENERGY= 470.2 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS819 o EQ130
[ DDC254 ]
C1 ENERGY= 410.0 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS820 o EQ131
[ DDC255 ]
C1 ENERGY= 359.9 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS821 o EQ132
[ DDC256 ]
C1 ENERGY= 316.0 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS823 o EQ134
[ DDC257 ]
Cs ENERGY= 683.0 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS824 o EQ134
[ DDC258 ]
C1 ENERGY= 607.0 kJ/mol
FRAGMENTS:
H2NO HCO
CONNECTIONS:
o TS829 o EQ135
[ DDC259 ]
C1 ENERGY= 728.5 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS830 o EQ137
[ DDC260 ]
C1 ENERGY= 876.0 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS831 o EQ137
[ DDC261 ]
C1 ENERGY= 795.6 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS832 o EQ137
[ DDC262 ]
C1 ENERGY= 842.4 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS833 o EQ137
[ DDC263 ]
C1 ENERGY= 658.8 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS834 o EQ137
[ DDC264 ]
Cs ENERGY= 433.9 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS838 o EQ138
[ DDC265 ]
C1 ENERGY= 639.1 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS839 o EQ139
[ DDC266 ]
C1 ENERGY= 669.1 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS842 o EQ140
[ DDC267 ]
Cs ENERGY= 1007.0 kJ/mol
FRAGMENTS:
HNO2 H2C
CONNECTIONS:
o TS845 o EQ141
[ DDC268 ]
C1 ENERGY= 891.6 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS846 o EQ141
[ DDC269 ]
C1 ENERGY= 1222.2 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS847 o EQ141
[ DDC270 ]
C1 ENERGY= 781.1 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS852 o EQ142
[ DDC271 ]
Cs ENERGY= 399.1 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS853 o EQ142
[ DDC272 ]
C1 ENERGY= 399.4 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS854 o EQ142
[ DDC273 ]
C1 ENERGY= 668.8 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS859 o EQ143
[ DDC274 ]
C1 ENERGY= 463.7 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS860 o EQ143
[ DDC275 ]
C1 ENERGY= 503.8 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS861 o EQ143
[ DDC276 ]
C1 ENERGY= 484.9 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS862 o EQ143
[ DDC277 ]
C1 ENERGY= 500.6 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS863 o EQ143
[ DDC278 ]
C1 ENERGY= 830.7 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS866 o EQ144
[ DDC279 ]
C1 ENERGY= 612.0 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS869 o EQ145
[ DDC280 ]
C1 ENERGY= 1304.6 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS870 o EQ145
[ DDC281 ]
C1 ENERGY= 623.8 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS874 o EQ146
[ DDC282 ]
C1 ENERGY= 611.5 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS877 o EQ147
[ DDC283 ]
C1 ENERGY= 841.1 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS880 o EQ148
[ DDC284 ]
C1 ENERGY= 851.4 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS881 o EQ148
[ DDC285 ]
C1 ENERGY= 463.1 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS886 o EQ150
[ DDC286 ]
C1 ENERGY= 499.9 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS887 o EQ150
[ DDC287 ]
C1 ENERGY= 700.0 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS891 o EQ151
[ DDC288 ]
C1 ENERGY= 784.7 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS892 o EQ151
[ DDC289 ]
C1 ENERGY= 852.4 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS893 o EQ151
[ DDC290 ]
C1 ENERGY= 788.5 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS894 o EQ152
[ DDC291 ]
C1 ENERGY= 806.5 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS895 o EQ152
[ DDC292 ]
C1 ENERGY= 868.4 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS896 o EQ153
[ DDC293 ]
Cs ENERGY= 635.0 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS897 o EQ153
[ DDC294 ]
C1 ENERGY= 815.8 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS901 o EQ154
[ DDC295 ]
C1 ENERGY= 788.7 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS902 o EQ155
[ DDC296 ]
C1 ENERGY= 527.2 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS903 o EQ156
[ DDC297 ]
C1 ENERGY= 381.4 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS904 o DDC298
[ DDC298 ]
C1 ENERGY= 381.4 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS904 o DDC297
[ DDC299 ]
C1 ENERGY= 439.8 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS905 o DDC300
[ DDC300 ]
C1 ENERGY= 439.7 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS905 o DDC299
[ DDC301 ]
C1 ENERGY= 441.6 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS906 o DDC302
[ DDC302 ]
C1 ENERGY= 441.6 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS906 o DDC301
[ DDC303 ]
C1 ENERGY= 456.0 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS907 o DDC304
[ DDC304 ]
C1 ENERGY= 455.4 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS907 o DDC303
[ DDC305 ]
C1 ENERGY= 453.6 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS908 o DDC306
[ DDC306 ]
Cs ENERGY= 456.9 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS908 o DDC305
[ DDC307 ]
C1 ENERGY= 424.6 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS909 o DDC308
[ DDC308 ]
C1 ENERGY= 321.7 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS909 o DDC307
[ DDC309 ]
Cs ENERGY= 20.9 kJ/mol
FRAGMENTS:
CO2 H3N
CONNECTIONS:
o TS910 o DDC310
[ DDC310 ]
C1 ENERGY= 305.1 kJ/mol
FRAGMENTS:
CO H3NO
CONNECTIONS:
o TS910 o DDC309
[ DDC311 ]
Cs ENERGY= 434.0 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS911 o DDC312
[ DDC312 ]
Cs ENERGY= 434.2 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS911 o DDC311
[ DDC313 ]
C1 ENERGY= 365.0 kJ/mol
FRAGMENTS:
H3O CNO
CONNECTIONS:
o TS912 o DDC314
[ DDC314 ]
C1 ENERGY= 365.0 kJ/mol
FRAGMENTS:
H3O CNO
CONNECTIONS:
o TS912 o DDC313
[ DDC315 ]
C1 ENERGY= 590.7 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS913 o DDC316
[ DDC316 ]
C1 ENERGY= 591.0 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS913 o DDC315
[ DDC317 ]
C1 ENERGY= 417.3 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS914 o DDC318
[ DDC318 ]
C1 ENERGY= 417.3 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS914 o DDC317
[ DDC319 ]
Cs ENERGY= 7.4 kJ/mol
FRAGMENTS:
CO2 H3N
CONNECTIONS:
o TS915 o DDC320
[ DDC320 ]
Cs ENERGY= 382.1 kJ/mol
FRAGMENTS:
CO H3NO
CONNECTIONS:
o TS915 o DDC319
[ DDC321 ]
C1 ENERGY= 588.4 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS916 o DDC322
[ DDC322 ]
C1 ENERGY= 591.0 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS916 o DDC321
[ DDC323 ]
C1 ENERGY= 470.3 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS917 o DDC324
[ DDC324 ]
C1 ENERGY= 399.1 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS917 o DDC323
[ DDC325 ]
C1 ENERGY= 547.7 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS918 o DDC326
[ DDC326 ]
C1 ENERGY= 547.7 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS918 o DDC325
[ DDC327 ]
C1 ENERGY= 525.0 kJ/mol
FRAGMENTS:
NO H3CO
CONNECTIONS:
o TS919 o DDC328
[ DDC328 ]
C1 ENERGY= 524.7 kJ/mol
FRAGMENTS:
NO H3CO
CONNECTIONS:
o TS919 o DDC327
[ DDC329 ]
C1 ENERGY= 571.4 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS920 o DDC330
[ DDC330 ]
C1 ENERGY= 602.2 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS920 o DDC329
[ DDC331 ]
C1 ENERGY= 576.0 kJ/mol
FRAGMENTS:
H2NO HCO
CONNECTIONS:
o TS921 o DDC332
[ DDC332 ]
C1 ENERGY= 607.3 kJ/mol
FRAGMENTS:
H2NO HCO
CONNECTIONS:
o TS921 o DDC331
[ DDC333 ]
C1 ENERGY= 445.3 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS922 o DDC334
[ DDC334 ]
C1 ENERGY= 591.9 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS922 o DDC333
[ DDC335 ]
C1 ENERGY= 566.1 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS923 o DDC336
[ DDC336 ]
C1 ENERGY= 609.2 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS923 o DDC335
[ DDC337 ]
C1 ENERGY= 460.0 kJ/mol
FRAGMENTS:
HNO CO H H
CONNECTIONS:
o TS924 o DDC338
[ DDC338 ]
C1 ENERGY= 395.7 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS924 o DDC337
[ DDC339 ]
C1 ENERGY= 535.9 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS925 o DDC340
[ DDC340 ]
C1 ENERGY= 131.0 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS925 o DDC339
[ DDC341 ]
C1 ENERGY= 142.6 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS926 o DDC342
[ DDC342 ]
C1 ENERGY= 535.1 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS926 o DDC341
[ DDC343 ]
C1 ENERGY= 449.8 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS927 o DDC344
[ DDC344 ]
Cs ENERGY= 595.5 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS927 o DDC343
[ DDC345 ]
C1 ENERGY= 436.2 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS928 o DDC346
[ DDC346 ]
C1 ENERGY= 436.9 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS928 o DDC345
[ DDC347 ]
C1 ENERGY= 525.8 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS929 o DDC348
[ DDC348 ]
C1 ENERGY= 140.3 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS929 o DDC347
[ DDC349 ]
C1 ENERGY= 627.7 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS930 o DDC350
[ DDC350 ]
C1 ENERGY= 635.5 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS930 o DDC349
[ DDC351 ]
C1 ENERGY= 510.2 kJ/mol
FRAGMENTS:
NO H3CO
CONNECTIONS:
o TS931 o DDC352
[ DDC352 ]
C1 ENERGY= 493.9 kJ/mol
FRAGMENTS:
NO H3CO
CONNECTIONS:
o TS931 o DDC351
[ DDC353 ]
C1 ENERGY= 639.1 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS932 o DDC354
[ DDC354 ]
C1 ENERGY= 561.1 kJ/mol
FRAGMENTS:
NO H3CO
CONNECTIONS:
o TS932 o DDC353
[ DDC355 ]
C1 ENERGY= 640.8 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS933 o DDC356
[ DDC356 ]
C1 ENERGY= 641.5 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS933 o DDC355
[ DDC357 ]
C1 ENERGY= 640.0 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS934 o DDC358
[ DDC358 ]
C1 ENERGY= 639.9 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS934 o DDC357
[ DDC359 ]
C1 ENERGY= 631.6 kJ/mol
FRAGMENTS:
HO2 H2CN
CONNECTIONS:
o TS935 o DDC360
[ DDC360 ]
C1 ENERGY= 640.9 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS935 o DDC359
[ DDC361 ]
C1 ENERGY= 639.9 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS936 o DDC362
[ DDC362 ]
C1 ENERGY= 641.7 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS936 o DDC361
[ DDC363 ]
C1 ENERGY= 631.8 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS937 o DDC364
[ DDC364 ]
C1 ENERGY= 520.1 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS937 o DDC363
[ DDC365 ]
C1 ENERGY= 483.7 kJ/mol
FRAGMENTS:
CO HNO H H
CONNECTIONS:
o TS938 o DDC366
[ DDC366 ]
C1 ENERGY= 608.7 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS938 o DDC365
[ DDC367 ]
C1 ENERGY= 376.1 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS939 o DDC368
[ DDC368 ]
C1 ENERGY= 458.5 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS939 o DDC367
[ DDC369 ]
C1 ENERGY= 436.9 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS940 o DDC370
[ DDC370 ]
C1 ENERGY= 559.4 kJ/mol
FRAGMENTS:
H2NO HCO
CONNECTIONS:
o TS940 o DDC369
[ DDC371 ]
C1 ENERGY= 106.5 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS941 o DDC372
[ DDC372 ]
C1 ENERGY= 557.8 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS941 o DDC371
[ DDC373 ]
C1 ENERGY= 451.7 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS942 o DDC374
[ DDC374 ]
C1 ENERGY= 464.4 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS942 o DDC373
[ DDC375 ]
C1 ENERGY= 645.7 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS943 o DDC376
[ DDC376 ]
C1 ENERGY= 649.5 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS943 o DDC375
[ DDC377 ]
C1 ENERGY= 658.4 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS944 o DDC378
[ DDC378 ]
C1 ENERGY= 658.3 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS944 o DDC377
[ DDC379 ]
C1 ENERGY= 660.1 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS945 o DDC380
[ DDC380 ]
C1 ENERGY= 658.1 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS945 o DDC379
[ DDC381 ]
C1 ENERGY= 48.6 kJ/mol
FRAGMENTS:
HCO2 H2N
CONNECTIONS:
o TS946 o DDC382
[ DDC382 ]
C1 ENERGY= 297.4 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS946 o DDC381
[ DDC383 ]
C1 ENERGY= 662.8 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS947 o DDC384
[ DDC384 ]
C1 ENERGY= 663.7 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS947 o DDC383
[ DDC385 ]
C1 ENERGY= 528.6 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS948 o DDC386
[ DDC386 ]
C1 ENERGY= 455.3 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS948 o DDC385
[ DDC387 ]
C1 ENERGY= 580.8 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS949 o DDC388
[ DDC388 ]
C1 ENERGY= 602.7 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS949 o DDC387
[ DDC389 ]
C1 ENERGY= 582.5 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS950 o DDC390
[ DDC390 ]
C1 ENERGY= 228.0 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS950 o DDC389
[ DDC391 ]
C1 ENERGY= 163.5 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS951 o DDC392
[ DDC392 ]
C1 ENERGY= 543.2 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS951 o DDC391
[ DDC393 ]
C1 ENERGY= 455.5 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS952 o DDC394
[ DDC394 ]
C1 ENERGY= 388.9 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS952 o DDC393
[ DDC395 ]
C1 ENERGY= 589.8 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS953 o DDC396
[ DDC396 ]
C1 ENERGY= 686.2 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS953 o DDC395
[ DDC397 ]
C1 ENERGY= 526.7 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS954 o DDC398
[ DDC398 ]
C1 ENERGY= 645.3 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS954 o DDC397
[ DDC399 ]
Cs ENERGY= 399.1 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS955 o DDC400
[ DDC400 ]
Cs ENERGY= 399.1 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS955 o DDC399
[ DDC401 ]
C1 ENERGY= 486.7 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS956 o DDC402
[ DDC402 ]
C1 ENERGY= 483.7 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS956 o DDC401
[ DDC403 ]
C1 ENERGY= 440.1 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS957 o DDC404
[ DDC404 ]
C1 ENERGY= 440.2 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS957 o DDC403
[ DDC405 ]
C1 ENERGY= 672.0 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS958 o DDC406
[ DDC406 ]
C1 ENERGY= 649.5 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS958 o DDC405
[ DDC407 ]
C1 ENERGY= 620.4 kJ/mol
FRAGMENTS:
NO2 H3C
CONNECTIONS:
o TS959 o DDC408
[ DDC408 ]
Cs ENERGY= 571.2 kJ/mol
FRAGMENTS:
HNO2 H2C
CONNECTIONS:
o TS959 o DDC407
[ DDC409 ]
C1 ENERGY= 516.7 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS960 o DDC410
[ DDC410 ]
C1 ENERGY= 182.9 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS960 o DDC409
[ DDC411 ]
C1 ENERGY= 789.0 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS961 o DDC412
[ DDC412 ]
C1 ENERGY= 790.1 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS961 o DDC411
[ DDC413 ]
C1 ENERGY= 789.7 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS962 o DDC414
[ DDC414 ]
C1 ENERGY= 792.9 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS962 o DDC413
[ DDC415 ]
C1 ENERGY= 682.4 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS963 o DDC416
[ DDC416 ]
C1 ENERGY= 682.3 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS963 o DDC415
[ DDC417 ]
C1 ENERGY= 461.4 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS964 o DDC418
[ DDC418 ]
C1 ENERGY= 461.5 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS964 o DDC417
[ DDC419 ]
C1 ENERGY= 418.5 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS965 o DDC420
[ DDC420 ]
C1 ENERGY= 614.6 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS965 o DDC419
[ DDC421 ]
C1 ENERGY= 551.0 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS966 o DDC422
[ DDC422 ]
C1 ENERGY= 551.1 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS966 o DDC421
[ DDC423 ]
C1 ENERGY= 371.2 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS967 o DDC424
[ DDC424 ]
C1 ENERGY= 568.0 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS967 o DDC423
[ DDC425 ]
C1 ENERGY= 691.7 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS968 o DDC426
[ DDC426 ]
C1 ENERGY= 679.1 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS968 o DDC425
[ DDC427 ]
C1 ENERGY= 664.5 kJ/mol
FRAGMENTS:
O2 H3CN
CONNECTIONS:
o TS969 o DDC428
[ DDC428 ]
C1 ENERGY= 820.3 kJ/mol
FRAGMENTS:
HO2 H2CN
CONNECTIONS:
o TS969 o DDC427
[ DDC429 ]
C1 ENERGY= 591.4 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS970 o DDC430
[ DDC430 ]
C1 ENERGY= 433.9 kJ/mol
FRAGMENTS:
H2NO HCO
CONNECTIONS:
o TS970 o DDC429
[ DDC431 ]
Cs ENERGY= 769.9 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS971 o DDC432
[ DDC432 ]
Cs ENERGY= 783.0 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS971 o DDC431
[ DDC433 ]
C1 ENERGY= 464.5 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS972 o DDC434
[ DDC434 ]
C1 ENERGY= 646.1 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS972 o DDC433
[ DDC435 ]
C1 ENERGY= 333.5 kJ/mol
FRAGMENTS:
HCO H2NO
CONNECTIONS:
o TS973 o DDC436
[ DDC436 ]
C1 ENERGY= 544.4 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS973 o DDC435
[ DDC437 ]
C1 ENERGY= 499.9 kJ/mol
FRAGMENTS:
HNO CO H H
CONNECTIONS:
o TS974 o DDC438
[ DDC438 ]
C1 ENERGY= 669.6 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS974 o DDC437
[ DDC439 ]
C1 ENERGY= 847.1 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS975 o DDC440
[ DDC440 ]
C1 ENERGY= 826.2 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS975 o DDC439
[ DDC441 ]
C1 ENERGY= 834.1 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS976 o DDC442
[ DDC442 ]
C1 ENERGY= 840.9 kJ/mol
FRAGMENTS:
HNO H2CO
CONNECTIONS:
o TS976 o DDC441
[ DDC443 ]
C1 ENERGY= 743.3 kJ/mol
FRAGMENTS:
H2NO HCO
CONNECTIONS:
o TS977 o DDC444
[ DDC444 ]
C1 ENERGY= 859.0 kJ/mol
FRAGMENTS:
H2NO CO H
CONNECTIONS:
o TS977 o DDC443
[ DDC445 ]
C1 ENERGY= 631.7 kJ/mol
FRAGMENTS:
HCNO2 H H
CONNECTIONS:
o TS978 o DDC446
[ DDC446 ]
C1 ENERGY= 726.6 kJ/mol
FRAGMENTS:
O2 HCN H H
CONNECTIONS:
o TS978 o DDC445
[ DDC447 ]
C1 ENERGY= 873.5 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS979 o DDC448
[ DDC448 ]
C1 ENERGY= 615.1 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS979 o DDC447
[ DDC449 ]
C1 ENERGY= 739.4 kJ/mol
FRAGMENTS:
H2NO HCO
CONNECTIONS:
o TS980 o DDC450
[ DDC450 ]
C1 ENERGY= 383.6 kJ/mol
FRAGMENTS:
H3NO CO
CONNECTIONS:
o TS980 o DDC449
[ DDC451 ]
C1 ENERGY= 784.0 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o TS981 o DDC452
[ DDC452 ]
C1 ENERGY= 586.0 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS981 o DDC451
[ DDC453 ]
C1 ENERGY= 612.5 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS982 o DDC454
[ DDC454 ]
C1 ENERGY= 641.1 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS982 o DDC453
[ DDC455 ]
C1 ENERGY= 394.3 kJ/mol
FRAGMENTS:
H2CNO HO
CONNECTIONS:
o TS983 o DDC456
[ DDC456 ]
C1 ENERGY= 500.3 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o TS983 o DDC455
[ DDC457 ]
C1 ENERGY= 613.0 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS984 o DDC458
[ DDC458 ]
C1 ENERGY= 784.2 kJ/mol
FRAGMENTS:
H2O HCNO
CONNECTIONS:
o TS984 o DDC457
[ DDC459 ]
C1 ENERGY= 838.9 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS985 o DDC460
[ DDC460 ]
C1 ENERGY= 588.1 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS985 o DDC459
[ DDC461 ]
C1 ENERGY= 835.3 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS986 o DDC462
[ DDC462 ]
C1 ENERGY= 596.6 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o TS986 o DDC461
[ DDC463 ]
C1 ENERGY= 460.0 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS987 o DDC464
[ DDC464 ]
C1 ENERGY= 464.4 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS987 o DDC463
[ DDC465 ]
C1 ENERGY= 963.9 kJ/mol
FRAGMENTS:
HO2 HCN H
CONNECTIONS:
o TS988 o DDC466
[ DDC466 ]
C1 ENERGY= 813.2 kJ/mol
FRAGMENTS:
HO2 HCN H
CONNECTIONS:
o TS988 o DDC465
[ DDC467 ]
C1 ENERGY= 593.2 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS989 o DDC468
[ DDC468 ]
C1 ENERGY= 628.2 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS989 o DDC467
[ DDC469 ]
Cs ENERGY= 433.4 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS990 o DDC470
[ DDC470 ]
Cs ENERGY= 433.4 kJ/mol
FRAGMENTS:
H3CO NO
CONNECTIONS:
o TS990 o DDC469
[ DDC471 ]
C1 ENERGY= 670.1 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS991 o DDC472
[ DDC472 ]
C1 ENERGY= 459.4 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS991 o DDC471
[ DDC473 ]
C1 ENERGY= 1091.5 kJ/mol
FRAGMENTS:
HNO2 H2C
CONNECTIONS:
o TS992 o DDC474
[ DDC474 ]
Cs ENERGY= 1088.9 kJ/mol
FRAGMENTS:
HNO2 H2C
CONNECTIONS:
o TS992 o DDC473
[ DDC475 ]
C1 ENERGY= 927.2 kJ/mol
FRAGMENTS:
NO2 H3C
CONNECTIONS:
o TS993 o DDC476
[ DDC476 ]
C1 ENERGY= 1091.0 kJ/mol
FRAGMENTS:
HNO2 H2C
CONNECTIONS:
o TS993 o DDC475
[ DDC477 ]
C1 ENERGY= 1041.7 kJ/mol
FRAGMENTS:
HCO2 H2N
CONNECTIONS:
o TS994 o DDC478
[ DDC478 ]
C1 ENERGY= 616.5 kJ/mol
FRAGMENTS:
H3CNO2
CONNECTIONS:
o TS994 o DDC477
[ UDC0 ]
Cs ENERGY= 801.0 kJ/mol
FRAGMENTS:
O H3CNO
CONNECTIONS:
o EQ0 o
INSERT of UDC0
[ UDC1 ]
C1 ENERGY= 544.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ1 o
[ UDC2 ]
C1 ENERGY= 639.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ1 o
[ UDC3 ]
C1 ENERGY= 822.4 kJ/mol
FRAGMENTS:
O H3CNO
CONNECTIONS:
o EQ1 o
[ UDC4 ]
C1 ENERGY= 698.7 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ2 o
[ UDC5 ]
Cs ENERGY= 595.6 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ3 o
[ UDC6 ]
C1 ENERGY= 601.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ3 o
[ UDC7 ]
Cs ENERGY= 603.4 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ4 o
[ UDC8 ]
C1 ENERGY= 648.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ4 o
[ UDC9 ]
Cs ENERGY= 616.4 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ5 o
[ UDC10 ]
C1 ENERGY= 653.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ5 o
[ UDC11 ]
C1 ENERGY= 615.4 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ6 o
[ UDC12 ]
C1 ENERGY= 680.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ9 o
[ UDC13 ]
Cs ENERGY= 691.2 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ10 o
[ UDC14 ]
Cs ENERGY= 1090.8 kJ/mol
FRAGMENTS:
H3CNO O
CONNECTIONS:
o EQ10 o
[ UDC15 ]
C1 ENERGY= 674.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ11 o
[ UDC16 ]
C1 ENERGY= 726.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ11 o
[ UDC17 ]
C1 ENERGY= 649.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ12 o
[ UDC18 ]
Cs ENERGY= 749.6 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ13 o
[ UDC19 ]
C1 ENERGY= 738.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ14 o
[ UDC20 ]
Cs ENERGY= 756.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ15 o
[ UDC21 ]
Cs ENERGY= 751.9 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ16 o
[ UDC22 ]
C1 ENERGY= 767.6 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ16 o
[ UDC23 ]
C1 ENERGY= 749.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ17 o
[ UDC24 ]
C1 ENERGY= 756.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ18 o
[ UDC25 ]
Cs ENERGY= 700.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ20 o
[ UDC26 ]
C1 ENERGY= 839.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ20 o
[ UDC27 ]
C1 ENERGY= 780.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ21 o
[ UDC28 ]
C1 ENERGY= 816.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ22 o
[ UDC29 ]
C1 ENERGY= 846.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ23 o
[ UDC30 ]
C1 ENERGY= 849.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ23 o
[ UDC31 ]
C1 ENERGY= 744.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ24 o
[ UDC32 ]
C1 ENERGY= 802.7 kJ/mol
FRAGMENTS:
HO H2CNO
CONNECTIONS:
o EQ24 o
[ UDC33 ]
Cs ENERGY= 574.8 kJ/mol
FRAGMENTS:
H2CO HNO
CONNECTIONS:
o EQ26 o
[ UDC34 ]
C1 ENERGY= 706.4 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ26 o
[ UDC35 ]
Cs ENERGY= 1068.6 kJ/mol
FRAGMENTS:
H3CNO O
CONNECTIONS:
o EQ27 o
[ UDC36 ]
C1 ENERGY= 765.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ29 o
[ UDC37 ]
C1 ENERGY= 809.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ29 o
[ UDC38 ]
C1 ENERGY= 843.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ29 o
[ UDC39 ]
C1 ENERGY= 707.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ30 o
[ UDC40 ]
C1 ENERGY= 860.6 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ30 o
[ UDC41 ]
C1 ENERGY= 738.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ31 o
[ UDC42 ]
Cs ENERGY= 752.7 kJ/mol
FRAGMENTS:
O H3CNO
CONNECTIONS:
o EQ31 o
[ UDC43 ]
C1 ENERGY= 802.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ32 o
[ UDC44 ]
C1 ENERGY= 880.7 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ32 o
[ UDC45 ]
Cs ENERGY= 735.5 kJ/mol
FRAGMENTS:
H3CNO O
CONNECTIONS:
o EQ33 o
[ UDC46 ]
Cs ENERGY= 749.3 kJ/mol
FRAGMENTS:
H3CNO O
CONNECTIONS:
o EQ33 o
[ UDC47 ]
C1 ENERGY= 799.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ34 o
[ UDC48 ]
C1 ENERGY= 894.2 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ34 o
[ UDC49 ]
C1 ENERGY= 730.7 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ35 o
[ UDC50 ]
C1 ENERGY= 751.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ36 o
[ UDC51 ]
Cs ENERGY= 825.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ36 o
[ UDC52 ]
C1 ENERGY= 866.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ38 o
[ UDC53 ]
C1 ENERGY= 865.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ39 o
[ UDC54 ]
C1 ENERGY= 875.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ39 o
[ UDC55 ]
C1 ENERGY= 655.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ40 o
[ UDC56 ]
C1 ENERGY= 907.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ41 o
[ UDC57 ]
C1 ENERGY= 912.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ42 o
[ UDC58 ]
C1 ENERGY= 874.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ43 o
[ UDC59 ]
Cs ENERGY= 863.1 kJ/mol
FRAGMENTS:
O H3CNO
CONNECTIONS:
o EQ45 o
[ UDC60 ]
Cs ENERGY= 975.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ45 o
[ UDC61 ]
C1 ENERGY= 847.4 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ47 o
[ UDC62 ]
C1 ENERGY= 881.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ49 o
[ UDC63 ]
C1 ENERGY= 897.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ49 o
[ UDC64 ]
C1 ENERGY= 877.4 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ50 o
[ UDC65 ]
C1 ENERGY= 877.6 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ51 o
[ UDC66 ]
C1 ENERGY= 982.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ54 o
[ UDC67 ]
C1 ENERGY= 924.7 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ55 o
[ UDC68 ]
C1 ENERGY= 957.2 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ55 o
[ UDC69 ]
C1 ENERGY= 939.7 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ57 o
[ UDC70 ]
C1 ENERGY= 986.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ57 o
[ UDC71 ]
Cs ENERGY= 930.6 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ62 o
[ UDC72 ]
C1 ENERGY= 679.0 kJ/mol
FRAGMENTS:
H3CNO O
CONNECTIONS:
o EQ63 o
[ UDC73 ]
C1 ENERGY= 919.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ63 o
[ UDC74 ]
C1 ENERGY= 934.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ63 o
[ UDC75 ]
C1 ENERGY= 816.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ65 o
[ UDC76 ]
Cs ENERGY= 935.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ65 o
[ UDC77 ]
C1 ENERGY= 956.7 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ65 o
[ UDC78 ]
C1 ENERGY= 807.9 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ66 o
[ UDC79 ]
Cs ENERGY= 948.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ66 o
[ UDC80 ]
C1 ENERGY= 809.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ67 o
[ UDC81 ]
Cs ENERGY= 920.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ67 o
[ UDC82 ]
C1 ENERGY= 971.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ67 o
[ UDC83 ]
Cs ENERGY= 1009.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ69 o
[ UDC84 ]
Cs ENERGY= 847.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ70 o
[ UDC85 ]
Cs ENERGY= 904.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ70 o
[ UDC86 ]
Cs ENERGY= 932.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ70 o
[ UDC87 ]
C1 ENERGY= 959.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ71 o
[ UDC88 ]
C1 ENERGY= 1036.4 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ71 o
[ UDC89 ]
C1 ENERGY= 969.9 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ74 o
[ UDC90 ]
C1 ENERGY= 831.2 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ76 o
[ UDC91 ]
C1 ENERGY= 963.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ77 o
[ UDC92 ]
C1 ENERGY= 1004.4 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ77 o
[ UDC93 ]
C1 ENERGY= 1018.6 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ77 o
[ UDC94 ]
C1 ENERGY= 830.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ78 o
[ UDC95 ]
C1 ENERGY= 968.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ79 o
[ UDC96 ]
Cs ENERGY= 996.5 kJ/mol
FRAGMENTS:
NO2 H3C
CONNECTIONS:
o EQ80 o
[ UDC97 ]
C1 ENERGY= 1095.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ82 o
[ UDC98 ]
C1 ENERGY= 998.2 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ83 o
[ UDC99 ]
Cs ENERGY= 1151.8 kJ/mol
FRAGMENTS:
H3CO2 N
CONNECTIONS:
o EQ83 o
[ UDC100 ]
C1 ENERGY= 980.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ85 o
[ UDC101 ]
C1 ENERGY= 1016.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ85 o
[ UDC102 ]
C1 ENERGY= 1019.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ85 o
[ UDC103 ]
C1 ENERGY= 1043.7 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ87 o
[ UDC104 ]
Cs ENERGY= 1082.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ89 o
[ UDC105 ]
C1 ENERGY= 897.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ90 o
[ UDC106 ]
C1 ENERGY= 1118.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ91 o
[ UDC107 ]
C1 ENERGY= 1064.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ94 o
[ UDC108 ]
C1 ENERGY= 908.2 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ99 o
[ UDC109 ]
Cs ENERGY= 931.0 kJ/mol
FRAGMENTS:
H3CNO O
CONNECTIONS:
o EQ101 o
[ UDC110 ]
C1 ENERGY= 1011.6 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ101 o
[ UDC111 ]
C1 ENERGY= 920.2 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ102 o
[ UDC112 ]
Cs ENERGY= 1126.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ106 o
[ UDC113 ]
C1 ENERGY= 1126.6 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ106 o
[ UDC114 ]
C1 ENERGY= 1028.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ107 o
[ UDC115 ]
C1 ENERGY= 914.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ110 o
[ UDC116 ]
C1 ENERGY= 1116.3 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ110 o
[ UDC117 ]
C1 ENERGY= 1119.9 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ110 o
[ UDC118 ]
C1 ENERGY= 908.0 kJ/mol
FRAGMENTS:
HCNO H2O
CONNECTIONS:
o EQ111 o
[ UDC119 ]
C1 ENERGY= 992.4 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ111 o
[ UDC120 ]
Cs ENERGY= 705.2 kJ/mol
FRAGMENTS:
H2O2 HCN
CONNECTIONS:
o EQ115 o
[ UDC121 ]
C1 ENERGY= 1093.9 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ119 o
[ UDC122 ]
C1 ENERGY= 1295.5 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ121 o
[ UDC123 ]
Cs ENERGY= 1223.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ123 o
[ UDC124 ]
Cs ENERGY= 1233.1 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ126 o
[ UDC125 ]
C1 ENERGY= 906.9 kJ/mol
FRAGMENTS:
O H3CNO
CONNECTIONS:
o EQ128 o
[ UDC126 ]
Cs ENERGY= 1264.9 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ129 o
[ UDC127 ]
C1 ENERGY= 1368.2 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ138 o
[ UDC128 ]
Cs ENERGY= 1435.9 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ141 o
[ UDC129 ]
C1 ENERGY= 1440.9 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ141 o
[ UDC130 ]
C1 ENERGY= 1223.0 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ144 o
[ UDC131 ]
Cs ENERGY= 1406.6 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ144 o
[ UDC132 ]
C1 ENERGY= 1463.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ146 o
[ UDC133 ]
C1 ENERGY= 1520.7 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ147 o
[ UDC134 ]
C1 ENERGY= 1394.9 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ148 o
[ UDC135 ]
C1 ENERGY= 1207.2 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ149 o
[ UDC136 ]
Cs ENERGY= 1493.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ150 o
[ UDC137 ]
C1 ENERGY= 1530.9 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ152 o
[ UDC138 ]
C1 ENERGY= 1468.8 kJ/mol
FRAGMENTS:
H2CNO2 H
CONNECTIONS:
o EQ154 o
xx: This is an exceptional case, which could not be assigned during the GRRM
procedures. It is possibly due to a very shallow well of numerical thresholds,
a minimum with negative Hessians, or artifacts associated with the computation.
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