Reaction Routes of
H4C2O2
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/6-31G*
© 2009 Koichi OHNO
Explored: EQ118 TS782
C1 ENERGY= 0.0 kJ/mol ( -229.0817842 Hartree)
Energy+ZPE= 0.0 kJ/mol ZPE= 0.0620340
CONNECTIONS:
o TS0 ( 1.5) o EQ0
o TS1 ( 59.2) o EQ1
o TS2 (326.6) o EQ7
o TS3 (485.9) o EQ17
o TS4 (447.7) o EQ20
o TS5 (503.5) o EQ57
o TS6 (703.7) o EQ84
o TS7 (718.6) o EQ87
o TS8 (334.4) o DDC0
o TS9 (338.3) o DDC1
o TS10 (469.3) o DDC2
o TS11 (502.2) o DDC3
o TS12 (507.8) o DDC4
o UDC0 o
o UDC1 o
Cs ENERGY= 25.9 kJ/mol ( -229.0719154 Hartree)
Energy+ZPE= 25.0 kJ/mol ZPE= 0.0617094
CONNECTIONS:
o TS1 ( 59.2) o EQ0
o TS13 ( 28.8) o EQ1
o TS14 (334.4) o EQ9
o TS15 (456.4) o EQ21
o TS16 (496.0) o EQ52
o TS17 (532.8) o EQ72
o TS18 (751.6) o EQ87
o TS19 (313.0) o DDC5
o TS20 (422.8) o DDC6
o TS21 (487.1) o DDC7
o TS22 (498.1) o DDC8
o TS23 (520.0) o DDC9
o UDC2 o
o UDC3 o
o UDC4 o
Cs ENERGY= 49.3 kJ/mol ( -229.0630062 Hartree)
Energy+ZPE= 50.5 kJ/mol ZPE= 0.0625047
CONNECTIONS:
o TS24 ( 52.3) o EQ2
o TS25 (271.2) o EQ2
o TS26 (107.8) o EQ3
o TS27 (455.9) o EQ17
o TS28 (489.6) o EQ17
o TS29 (400.1) o EQ22
o TS30 (596.5) o EQ34
o TS31 (769.3) o EQ34
o TS32 (590.4) o EQ39
o TS33 (620.5) o EQ39
o TS34 (452.1) o EQ44
o TS35 (479.4) o EQ56
o TS36 (735.5) o EQ89
o TS37 (736.5) o EQ89
o TS38 (779.1) o EQ89
o TS39 (780.2) o EQ92
o TS40 (745.0) o EQ94
o TS41 (752.3) o EQ94
o TS42 (361.1) o DDC10
o TS43 (387.2) o DDC11
o TS44 (458.9) o DDC12
o TS45 (471.7) o DDC13
o TS46 (483.7) o DDC14
o TS47 (503.2) o DDC15
o TS48 (558.2) o DDC16
o TS49 (567.5) o DDC17
o TS50 (705.4) o DDC18
o TS51 (779.2) o DDC19
o TS52 (861.6) o DDC20
o TS53 (876.7) o DDC21
o UDC5 o
o UDC6 o
C1 ENERGY= 70.5 kJ/mol ( -229.0549411 Hartree)
Energy+ZPE= 69.9 kJ/mol ZPE= 0.0618162
CONNECTIONS:
o TS26 (107.8) o EQ2
o TS54 ( 71.5) o EQ3
o TS55 (561.1) o EQ4
o TS56 (406.6) o EQ21
o TS57 (491.6) o EQ62
o TS58 (562.8) o EQ74
o TS59 (381.0) o DDC22
o TS60 (407.2) o DDC23
o TS61 (480.1) o DDC24
o UDC7 o
o UDC8 o
o UDC9 o
o UDC10 o
Cs ENERGY= 120.8 kJ/mol ( -229.0357917 Hartree)
Energy+ZPE= 118.6 kJ/mol ZPE= 0.0611996
CONNECTIONS:
o TS55 (561.1) o EQ3
o TS62 (309.8) o EQ4
o TS63 (143.6) o EQ5
o TS64 (155.8) o EQ5
o TS65 (147.6) o EQ8
o TS66 (411.8) o EQ11
o TS67 (417.7) o EQ11
o TS68 (360.9) o EQ17
o TS69 (472.0) o EQ17
o TS70 (486.9) o EQ27
o TS71 (577.4) o EQ34
o TS72 (593.7) o EQ35
o TS73 (777.7) o EQ35
o TS74 (406.2) o EQ43
o TS75 (479.4) o EQ56
o TS76 (493.0) o EQ56
o TS77 (473.1) o EQ57
o TS78 (805.9) o EQ76
o TS79 (482.8) o DDC25
o TS80 (489.9) o DDC26
o TS81 (492.8) o DDC27
o TS82 (496.5) o DDC28
o TS83 (523.6) o DDC29
o TS84 (535.1) o DDC30
o UDC11 o
o UDC12 o
C1 ENERGY= 136.3 kJ/mol ( -229.0298890 Hartree)
Energy+ZPE= 133.1 kJ/mol ZPE= 0.0608137
CONNECTIONS:
o TS63 (143.6) o EQ4
o TS64 (155.8) o EQ4
o TS85 (146.8) o EQ5
o TS86 (140.7) o EQ6
o TS87 (478.9) o EQ11
o TS88 (484.0) o EQ11
o TS89 (430.9) o EQ12
o TS90 (435.7) o EQ13
o TS91 (461.5) o EQ13
o TS92 (417.2) o EQ17
o TS93 (453.5) o EQ17
o TS94 (468.5) o EQ18
o TS95 (540.7) o EQ26
o TS96 (513.8) o EQ30
o TS97 (567.6) o EQ30
o TS98 (572.2) o EQ30
o TS99 (537.9) o EQ39
o TS100 (541.5) o EQ39
o TS101 (467.4) o EQ46
o TS102 (645.1) o EQ46
o TS103 (538.6) o EQ47
o TS104 (506.5) o EQ57
o TS105 (495.8) o EQ62
o TS106 (514.8) o EQ62
o TS107 (386.1) o DDC31
o TS108 (485.8) o DDC32
o TS109 (499.5) o DDC33
o TS110 (499.8) o DDC34
o TS111 (502.0) o DDC35
o TS112 (514.8) o DDC36
o TS113 (546.7) o DDC37
o UDC13 o
o UDC14 o
Cs ENERGY= 137.9 kJ/mol ( -229.0292769 Hartree)
Energy+ZPE= 133.9 kJ/mol ZPE= 0.0604935
CONNECTIONS:
o TS86 (140.7) o EQ5
o TS114 (434.1) o EQ6
o TS115 (158.3) o EQ8
o TS116 (466.2) o EQ14
o TS117 (426.6) o EQ18
o TS118 (469.4) o EQ50
o TS119 (493.5) o DDC38
o TS120 (500.8) o DDC39
o TS121 (560.5) o DDC40
o UDC15 o
o UDC16 o
Cs ENERGY= 140.7 kJ/mol ( -229.0281869 Hartree)
Energy+ZPE= 137.2 kJ/mol ZPE= 0.0607102
CONNECTIONS:
o TS2 (326.6) o EQ0
o TS122 (347.0) o EQ7
o TS123 (374.0) o EQ7
o TS124 (160.7) o EQ9
o TS125 (156.9) o EQ10
o TS126 (546.4) o EQ29
o TS127 (565.1) o EQ29
o TS128 (572.5) o EQ32
o TS129 (761.8) o EQ35
o TS130 (516.7) o EQ54
o TS131 (525.4) o EQ60
o TS132 (524.9) o EQ63
o TS133 (528.9) o EQ64
o TS134 (546.7) o EQ65
o TS135 (537.9) o EQ69
o TS136 (330.9) o DDC41
o TS137 (531.0) o DDC42
o TS138 (534.0) o DDC43
o UDC17 o
o UDC18 o
Cs ENERGY= 145.3 kJ/mol ( -229.0264613 Hartree)
Energy+ZPE= 141.8 kJ/mol ZPE= 0.0606920
CONNECTIONS:
o TS65 (147.6) o EQ4
o TS115 (158.3) o EQ6
o TS139 (468.0) o EQ11
o TS140 (441.4) o EQ18
o TS141 (510.4) o EQ31
o TS142 (560.3) o EQ35
o TS143 (472.1) o DDC44
o TS144 (472.6) o DDC45
o TS145 (494.4) o DDC46
o TS146 (567.6) o DDC47
o UDC19 o
o UDC20 o
C2v ENERGY= 145.7 kJ/mol ( -229.0262855 Hartree)
Energy+ZPE= 143.4 kJ/mol ZPE= 0.0611533
CONNECTIONS:
o TS14 (334.4) o EQ1
o TS124 (160.7) o EQ7
o TS147 (339.5) o EQ9
o TS148 (577.9) o EQ32
o TS149 (532.5) o EQ58
C2 ENERGY= 152.3 kJ/mol ( -229.0237745 Hartree)
Energy+ZPE= 149.7 kJ/mol ZPE= 0.0610274
CONNECTIONS:
o TS125 (156.9) o EQ7
o TS150 (420.2) o EQ10
o TS151 (544.8) o EQ29
o TS152 (560.3) o EQ32
o TS153 (526.0) o EQ59
o TS154 (534.6) o EQ60
o TS155 (521.8) o DDC48
o UDC21 o
[ EQ11 ] C1 ENERGY= 173.8 kJ/mol ( -229.0155725 Hartree)
Energy+ZPE= 172.7 kJ/mol ZPE= 0.0615985
CONNECTIONS:
o TS66 (411.8) o EQ4
o TS67 (417.7) o EQ4
o TS87 (478.9) o EQ5
o TS88 (484.0) o EQ5
o TS139 (468.0) o EQ8
o TS156 (176.6) o EQ11
o TS157 (184.8) o EQ11
o TS158 (373.8) o EQ11
o TS159 (551.0) o EQ12
o TS160 (524.6) o EQ13
o TS161 (200.6) o EQ16
o TS162 (442.0) o EQ26
o TS163 (413.1) o EQ27
o TS164 (518.0) o EQ46
o TS165 (518.1) o EQ46
o TS166 (518.2) o EQ50
o TS167 (483.5) o EQ54
o TS168 (494.4) o EQ58
o TS169 (515.0) o EQ59
o TS170 (552.2) o EQ64
o TS171 (555.1) o EQ68
o TS172 (538.6) o EQ69
o TS173 (439.5) o DDC49
o TS174 (442.7) o DDC50
o TS175 (524.4) o DDC51
o TS176 (618.3) o DDC52
o UDC22 o
o UDC23 o
[ EQ12 ] C2h ENERGY= 188.6 kJ/mol ( -229.0099615 Hartree)
Energy+ZPE= 186.3 kJ/mol ZPE= 0.0611639
CONNECTIONS:
o TS89 (430.9) o EQ5
o TS159 (551.0) o EQ11
o TS177 (196.0) o EQ13
o TS178 (455.7) o EQ32
o TS179 (474.3) o EQ54
o TS180 (511.8) o EQ65
o TS181 (519.2) o DDC53
o TS182 (634.2) o DDC54
[ EQ13 ] C1 ENERGY= 192.1 kJ/mol ( -229.0086044 Hartree)
Energy+ZPE= 189.3 kJ/mol ZPE= 0.0609656
CONNECTIONS:
o TS90 (435.7) o EQ5
o TS91 (461.5) o EQ5
o TS160 (524.6) o EQ11
o TS177 (196.0) o EQ12
o TS183 (194.8) o EQ13
o TS184 (202.8) o EQ14
o TS185 (437.7) o EQ29
o TS186 (479.5) o EQ36
o TS187 (488.2) o EQ58
o TS188 (507.0) o EQ59
o TS189 (491.0) o EQ60
o TS190 (515.7) o EQ64
o TS191 (545.6) o EQ70
o TS192 (506.0) o DDC55
o TS193 (542.5) o DDC56
o TS194 (762.2) o DDC57
o TS195 (763.6) o DDC58
o UDC24 o
o UDC25 o
[ EQ14 ] C2 ENERGY= 195.8 kJ/mol ( -229.0072113 Hartree)
Energy+ZPE= 192.1 kJ/mol ZPE= 0.0606144
CONNECTIONS:
o TS116 (466.2) o EQ6
o TS184 (202.8) o EQ13
o TS196 (196.5) o EQ15
o TS197 (460.6) o EQ33
o TS198 (504.1) o EQ63
o TS199 (526.4) o EQ69
o TS200 (560.8) o EQ73
o TS201 (855.2) o EQ104
o TS202 (855.9) o EQ106
o TS203 (532.2) o DDC59
o TS204 (642.6) o DDC60
o UDC26 o
o UDC27 o
[ EQ15 ] Ci ENERGY= 196.4 kJ/mol ( -229.0069694 Hartree)
Energy+ZPE= 192.0 kJ/mol ZPE= 0.0603418
CONNECTIONS:
o TS196 (196.5) o EQ14
o TS205 (704.0) o EQ15
[ EQ16 ] Cs ENERGY= 197.0 kJ/mol ( -229.0067522 Hartree)
Energy+ZPE= 193.1 kJ/mol ZPE= 0.0605337
CONNECTIONS:
o TS161 (200.6) o EQ11
o TS206 (438.5) o EQ31
o TS207 (546.6) o EQ63
o TS208 (713.5) o DDC61
o UDC28 o
o UDC29 o
[ EQ17 ] C1 ENERGY= 199.2 kJ/mol ( -229.0059198 Hartree)
Energy+ZPE= 199.3 kJ/mol ZPE= 0.0620631
CONNECTIONS:
o TS3 (485.9) o EQ0
o TS27 (455.9) o EQ2
o TS28 (489.6) o EQ2
o TS68 (360.9) o EQ4
o TS69 (472.0) o EQ4
o TS92 (417.2) o EQ5
o TS93 (453.5) o EQ5
o TS209 (204.2) o EQ18
o TS210 (213.5) o EQ18
o TS211 (464.5) o EQ20
o TS212 (546.5) o EQ30
o TS213 (457.2) o EQ32
o TS214 (546.8) o EQ41
o TS215 (444.8) o EQ44
o TS216 (446.1) o EQ44
o TS217 (500.3) o EQ54
o TS218 (524.5) o EQ60
o TS219 (445.8) o DDC62
o TS220 (597.9) o DDC63
o UDC30 o
[ EQ18 ] C1 ENERGY= 200.6 kJ/mol ( -229.0053649 Hartree)
Energy+ZPE= 200.8 kJ/mol ZPE= 0.0620947
CONNECTIONS:
o TS94 (468.5) o EQ5
o TS117 (426.6) o EQ6
o TS140 (441.4) o EQ8
o TS209 (204.2) o EQ17
o TS210 (213.5) o EQ17
o TS221 (466.4) o EQ22
o TS222 (446.7) o EQ29
o TS223 (502.6) o EQ40
o TS224 (454.6) o EQ44
o TS225 (511.7) o EQ59
o TS226 (526.8) o EQ63
o TS227 (815.8) o EQ76
o TS228 (794.8) o EQ96
o TS229 (456.1) o DDC64
o TS230 (515.3) o DDC65
o TS231 (520.9) o DDC66
o TS232 (553.2) o DDC67
o TS233 (566.7) o DDC68
o UDC31 o
o UDC32 o
o UDC33 o
[ EQ19 ] D2h ENERGY= 209.1 kJ/mol ( -229.0021528 Hartree)
Energy+ZPE= 212.9 kJ/mol ZPE= 0.0634877
CONNECTIONS:
o TS234 (382.3) o DDC69
o TS235 (399.4) o DDC70
o TS236 (572.0) o DDC71
o UDC34 o
[ EQ20 ] Cs ENERGY= 249.0 kJ/mol ( -228.9869540 Hartree)
Energy+ZPE= 246.0 kJ/mol ZPE= 0.0608949
CONNECTIONS:
o TS4 (447.7) o EQ0
o TS211 (464.5) o EQ17
o TS237 (251.5) o EQ20
o TS238 (324.8) o EQ21
o TS239 (327.9) o EQ23
o TS240 (490.1) o EQ49
o TS241 (395.7) o DDC72
o TS242 (679.5) o DDC73
o TS243 (681.6) o DDC74
o TS244 (687.0) o DDC75
o UDC35 o
[ EQ21 ] Cs ENERGY= 252.5 kJ/mol ( -228.9856050 Hartree)
Energy+ZPE= 251.2 kJ/mol ZPE= 0.0615314
CONNECTIONS:
o TS15 (456.4) o EQ1
o TS56 (406.6) o EQ3
o TS238 (324.8) o EQ20
o TS245 (255.8) o EQ21
o TS246 (324.9) o EQ22
o TS247 (493.7) o EQ53
o TS248 (680.1) o EQ81
o TS249 (851.7) o EQ85
o TS250 (971.7) o EQ102
o TS251 (688.7) o DDC76
o UDC36 o
[ EQ22 ] Cs ENERGY= 256.2 kJ/mol ( -228.9841861 Hartree)
Energy+ZPE= 254.6 kJ/mol ZPE= 0.0614275
CONNECTIONS:
o TS29 (400.1) o EQ2
o TS221 (466.4) o EQ18
o TS246 (324.9) o EQ21
o TS252 (261.6) o EQ22
o TS253 (334.0) o EQ23
o TS254 (680.2) o EQ27
o TS255 (569.3) o EQ75
o TS256 (453.8) o DDC77
o TS257 (704.0) o DDC78
o TS258 (708.9) o DDC79
o UDC37 o
o UDC38 o
[ EQ23 ] Cs ENERGY= 285.7 kJ/mol ( -228.9729751 Hartree)
Energy+ZPE= 281.2 kJ/mol ZPE= 0.0603047
CONNECTIONS:
o TS239 (327.9) o EQ20
o TS253 (334.0) o EQ22
o TS259 (294.7) o EQ23
o TS260 (713.1) o EQ32
o TS261 (700.4) o EQ86
o TS262 (388.7) o DDC80
o TS263 (458.7) o DDC81
o TS264 (679.0) o DDC82
[ EQ24 ] C1 ENERGY= 318.6 kJ/mol ( -228.9604444 Hartree)
Energy+ZPE= 304.8 kJ/mol ZPE= 0.0567605
CONNECTIONS:
o TS265 (319.1) o EQ24
o TS266 (325.5) o EQ24
o TS267 (402.1) o DDC83
o TS268 (521.5) o DDC84
o TS269 (639.2) o DDC85
o TS270 (795.4) o DDC86
o UDC39 o
[ EQ25 ] C1 ENERGY= 322.8 kJ/mol ( -228.9588435 Hartree)
Energy+ZPE= 307.1 kJ/mol ZPE= 0.0560519
CONNECTIONS:
[ EQ26 ] C1 ENERGY= 348.9 kJ/mol ( -228.9488867 Hartree)
Energy+ZPE= 345.3 kJ/mol ZPE= 0.0606666
CONNECTIONS:
o TS95 (540.7) o EQ5
o TS162 (442.0) o EQ11
o TS271 (353.6) o EQ26
o TS272 (394.8) o EQ26
o TS273 (466.4) o EQ27
o TS274 (483.2) o EQ31
o TS275 (392.5) o EQ32
o TS276 (446.3) o DDC87
o UDC40 o
[ EQ27 ] Cs ENERGY= 359.0 kJ/mol ( -228.9450580 Hartree)
Energy+ZPE= 354.0 kJ/mol ZPE= 0.0601120
CONNECTIONS:
o TS70 (486.9) o EQ4
o TS163 (413.1) o EQ11
o TS254 (680.2) o EQ22
o TS273 (466.4) o EQ26
o TS277 (386.5) o EQ29
o TS278 (391.7) o EQ29
o TS279 (375.2) o EQ31
o TS280 (762.8) o EQ32
o TS281 (670.5) o EQ82
o TS282 (684.7) o EQ82
o TS283 (561.3) o DDC88
o TS284 (581.6) o DDC89
o TS285 (704.4) o DDC90
o TS286 (716.1) o DDC91
[ EQ28 ] Cs ENERGY= 361.8 kJ/mol ( -228.9439892 Hartree)
Energy+ZPE= 358.9 kJ/mol ZPE= 0.0609237
CONNECTIONS:
o TS287 (373.0) o EQ28
o TS288 (554.5) o EQ51
o TS289 (539.1) o EQ55
o TS290 (784.2) o EQ77
o TS291 (711.9) o EQ84
o TS292 (843.4) o EQ89
o TS293 (550.3) o DDC92
o TS294 (870.9) o DDC93
o TS295 (871.2) o DDC94
o UDC41 o
o UDC42 o
o UDC43 o
[ EQ29 ] C1 ENERGY= 362.8 kJ/mol ( -228.9436020 Hartree)
Energy+ZPE= 357.0 kJ/mol ZPE= 0.0598122
CONNECTIONS:
o TS126 (546.4) o EQ7
o TS127 (565.1) o EQ7
o TS151 (544.8) o EQ10
o TS185 (437.7) o EQ13
o TS222 (446.7) o EQ18
o TS277 (386.5) o EQ27
o TS278 (391.7) o EQ27
o TS296 (473.5) o EQ32
o TS297 (487.4) o EQ32
o TS298 (747.5) o EQ32
o TS299 (382.5) o EQ33
o TS300 (747.0) o EQ63
o TS301 (771.1) o EQ64
o TS302 (677.3) o EQ81
o TS303 (685.1) o EQ81
o TS304 (613.2) o DDC95
o TS305 (641.3) o DDC96
o TS306 (713.9) o DDC97
o TS307 (750.3) o DDC98
o TS308 (784.2) o DDC99
o UDC44 o
o UDC45 o
[ EQ30 ] Cs ENERGY= 363.9 kJ/mol ( -228.9431915 Hartree)
Energy+ZPE= 355.9 kJ/mol ZPE= 0.0589719
CONNECTIONS:
o TS96 (513.8) o EQ5
o TS97 (567.6) o EQ5
o TS98 (572.2) o EQ5
o TS212 (546.5) o EQ17
o TS309 (390.7) o EQ34
o TS310 (400.1) o EQ34
o TS311 (401.6) o EQ34
o TS312 (405.4) o EQ34
o TS313 (505.6) o EQ39
o TS314 (507.6) o EQ42
o TS315 (985.5) o EQ102
o TS316 (925.0) o EQ114
o TS317 (364.3) o DDC100
[ EQ31 ] Cs ENERGY= 372.0 kJ/mol ( -228.9400858 Hartree)
Energy+ZPE= 367.3 kJ/mol ZPE= 0.0602301
CONNECTIONS:
o TS141 (510.4) o EQ8
o TS206 (438.5) o EQ16
o TS274 (483.2) o EQ26
o TS279 (375.2) o EQ27
o TS318 (589.3) o DDC101
o UDC46 o
[ EQ32 ] C1 ENERGY= 376.8 kJ/mol ( -228.9382762 Hartree)
Energy+ZPE= 368.8 kJ/mol ZPE= 0.0589743
CONNECTIONS:
o TS128 (572.5) o EQ7
o TS148 (577.9) o EQ9
o TS152 (560.3) o EQ10
o TS178 (455.7) o EQ12
o TS213 (457.2) o EQ17
o TS260 (713.1) o EQ23
o TS275 (392.5) o EQ26
o TS280 (762.8) o EQ27
o TS296 (473.5) o EQ29
o TS297 (487.4) o EQ29
o TS298 (747.5) o EQ29
o TS319 (377.0) o EQ32
o TS320 (395.7) o EQ36
o TS321 (757.4) o EQ60
o TS322 (790.8) o EQ65
o TS323 (704.0) o EQ86
o TS324 (493.8) o DDC102
o TS325 (504.6) o DDC103
o TS326 (623.9) o DDC104
o TS327 (626.6) o DDC105
o TS328 (679.9) o DDC106
o TS329 (751.8) o DDC107
[ EQ33 ] Cs ENERGY= 378.6 kJ/mol ( -228.9375937 Hartree)
Energy+ZPE= 372.7 kJ/mol ZPE= 0.0597737
CONNECTIONS:
o TS197 (460.6) o EQ14
o TS299 (382.5) o EQ29
o TS330 (490.6) o EQ36
o TS331 (633.3) o DDC108
o UDC47 o
o UDC48 o
o UDC49 o
o UDC50 o
[ EQ34 ] C1 ENERGY= 386.8 kJ/mol ( -228.9344649 Hartree)
Energy+ZPE= 382.6 kJ/mol ZPE= 0.0604203
CONNECTIONS:
o TS30 (596.5) o EQ2
o TS31 (769.3) o EQ2
o TS71 (577.4) o EQ4
o TS309 (390.7) o EQ30
o TS310 (400.1) o EQ30
o TS311 (401.6) o EQ30
o TS312 (405.4) o EQ30
o TS332 (500.1) o EQ39
o TS333 (503.4) o EQ41
o TS334 (760.9) o EQ94
o TS335 (533.2) o DDC109
o TS336 (561.0) o DDC110
o TS337 (792.8) o DDC111
[ EQ35 ] C1 ENERGY= 392.7 kJ/mol ( -228.9322175 Hartree)
Energy+ZPE= 386.7 kJ/mol ZPE= 0.0597496
CONNECTIONS:
o TS72 (593.7) o EQ4
o TS73 (777.7) o EQ4
o TS129 (761.8) o EQ7
o TS142 (560.3) o EQ8
o TS338 (394.9) o EQ35
o TS339 (417.5) o EQ35
o TS340 (727.7) o EQ35
o TS341 (736.7) o EQ35
o TS342 (748.7) o EQ35
o TS343 (781.3) o EQ35
o TS344 (946.5) o EQ35
o TS345 (417.5) o EQ37
o TS346 (732.5) o EQ37
o TS347 (418.4) o EQ38
o TS348 (532.1) o EQ51
o TS349 (631.7) o EQ52
o TS350 (638.8) o EQ76
o TS351 (885.5) o EQ76
o TS352 (755.9) o EQ90
o TS353 (738.2) o EQ91
o TS354 (754.8) o EQ93
o TS355 (760.3) o EQ96
o TS356 (764.1) o EQ97
o TS357 (911.0) o EQ113
o TS358 (934.6) o EQ113
o TS359 (766.3) o DDC112
o TS360 (781.0) o DDC113
o TS361 (829.4) o DDC114
o TS362 (859.1) o DDC115
o TS363 (861.7) o DDC116
o TS364 (892.4) o DDC117
o TS365 (899.5) o DDC118
o UDC51 o
[ EQ36 ] C1 ENERGY= 394.3 kJ/mol ( -228.9315989 Hartree)
Energy+ZPE= 385.9 kJ/mol ZPE= 0.0588361
CONNECTIONS:
o TS186 (479.5) o EQ13
o TS320 (395.7) o EQ32
o TS330 (490.6) o EQ33
o TS366 (394.9) o EQ36
o TS367 (649.5) o DDC119
o UDC52 o
[ EQ37 ] C1 ENERGY= 397.1 kJ/mol ( -228.9305295 Hartree)
Energy+ZPE= 390.3 kJ/mol ZPE= 0.0594418
CONNECTIONS:
o TS345 (417.5) o EQ35
o TS346 (732.5) o EQ35
o TS368 (633.1) o EQ37
o TS369 (398.7) o EQ38
o TS370 (400.4) o EQ38
o TS371 (423.9) o EQ38
o TS372 (667.9) o EQ72
o TS373 (637.5) o EQ78
o TS374 (691.2) o EQ78
o TS375 (802.5) o EQ78
o TS376 (752.1) o EQ88
o TS377 (741.6) o EQ91
o TS378 (639.5) o DDC120
o TS379 (683.4) o DDC121
o TS380 (776.6) o DDC122
o UDC53 o
o UDC54 o
[ EQ38 ] C1 ENERGY= 397.7 kJ/mol ( -228.9303258 Hartree)
Energy+ZPE= 390.8 kJ/mol ZPE= 0.0594218
CONNECTIONS:
o TS347 (418.4) o EQ35
o TS369 (398.7) o EQ37
o TS370 (400.4) o EQ37
o TS371 (423.9) o EQ37
o TS381 (662.4) o EQ71
o TS382 (640.4) o EQ77
o TS383 (681.9) o EQ77
o TS384 (788.5) o EQ77
o TS385 (771.0) o EQ90
o TS386 (748.6) o DDC123
o TS387 (749.7) o DDC124
o TS388 (861.9) o DDC125
o UDC55 o
o UDC56 o
o UDC57 o
[ EQ39 ] C1 ENERGY= 399.9 kJ/mol ( -228.9294888 Hartree)
Energy+ZPE= 394.4 kJ/mol ZPE= 0.0599512
CONNECTIONS:
o TS32 (590.4) o EQ2
o TS33 (620.5) o EQ2
o TS99 (537.9) o EQ5
o TS100 (541.5) o EQ5
o TS313 (505.6) o EQ30
o TS332 (500.1) o EQ34
o TS389 (417.2) o EQ39
o TS390 (422.5) o EQ39
o TS391 (403.0) o EQ41
o TS392 (422.4) o EQ41
o TS393 (404.9) o EQ42
o TS394 (449.8) o DDC126
o TS395 (773.4) o DDC127
o TS396 (783.9) o DDC128
o TS397 (803.1) o DDC129
o TS398 (805.9) o DDC130
[ EQ40 ] C1 ENERGY= 399.9 kJ/mol ( -228.9294678 Hartree)
Energy+ZPE= 390.7 kJ/mol ZPE= 0.0585296
CONNECTIONS:
o TS223 (502.6) o EQ18
o TS399 (403.5) o EQ40
o TS400 (483.2) o EQ40
o TS401 (747.1) o EQ81
o UDC58 o
[ EQ41 ] C1 ENERGY= 401.3 kJ/mol ( -228.9289541 Hartree)
Energy+ZPE= 395.5 kJ/mol ZPE= 0.0598240
CONNECTIONS:
o TS214 (546.8) o EQ17
o TS333 (503.4) o EQ34
o TS391 (403.0) o EQ39
o TS392 (422.4) o EQ39
o TS402 (405.5) o EQ42
o TS403 (416.3) o EQ42
o TS404 (775.1) o EQ95
o TS405 (775.2) o EQ95
o TS406 (528.4) o DDC131
o TS407 (799.4) o DDC132
o UDC59 o
[ EQ42 ] C1 ENERGY= 402.0 kJ/mol ( -228.9286578 Hartree)
Energy+ZPE= 396.2 kJ/mol ZPE= 0.0598178
CONNECTIONS:
o TS314 (507.6) o EQ30
o TS393 (404.9) o EQ39
o TS402 (405.5) o EQ41
o TS403 (416.3) o EQ41
o TS408 (781.7) o EQ95
o TS409 (499.9) o DDC133
o TS410 (535.8) o DDC134
o TS411 (727.9) o DDC135
o TS412 (794.7) o DDC136
o TS413 (809.5) o DDC137
[ EQ43 ] Cs ENERGY= 402.2 kJ/mol ( -228.9285930 Hartree)
Energy+ZPE= 388.6 kJ/mol ZPE= 0.0568454
CONNECTIONS:
o TS74 (406.2) o EQ4
o TS414 (509.0) o EQ43
o TS415 (529.4) o EQ47
o TS416 (536.9) o EQ47
o TS417 (542.3) o DDC138
o UDC60 o
o UDC61 o
[ EQ44 ] C1 ENERGY= 412.1 kJ/mol ( -228.9248243 Hartree)
Energy+ZPE= 403.2 kJ/mol ZPE= 0.0586284
CONNECTIONS:
o TS34 (452.1) o EQ2
o TS215 (444.8) o EQ17
o TS216 (446.1) o EQ17
o TS224 (454.6) o EQ18
o TS418 (417.6) o EQ44
o TS419 (471.2) o EQ44
o TS420 (441.4) o EQ49
o TS421 (455.9) o EQ53
o TS422 (922.1) o EQ114
o TS423 (470.4) o DDC139
o TS424 (486.8) o DDC140
o TS425 (601.0) o DDC141
o TS426 (684.3) o DDC142
o TS427 (908.9) o DDC143
o TS428 (921.4) o DDC144
[ EQ45 ] C2 ENERGY= 419.2 kJ/mol ( -228.9221249 Hartree)
Energy+ZPE= 420.0 kJ/mol ZPE= 0.0623232
CONNECTIONS:
o TS429 (419.4) o EQ45
o TS430 (688.1) o EQ79
o TS431 (732.5) o EQ79
o TS432 (686.4) o EQ83
o TS433 (616.6) o DDC145
o TS434 (794.9) o DDC146
o TS435 (896.1) o DDC147
o TS436 (963.5) o DDC148
o UDC62 o
o UDC63 o
o UDC64 o
[ EQ46 ] C1 ENERGY= 435.5 kJ/mol ( -228.9159004 Hartree)
Energy+ZPE= 426.3 kJ/mol ZPE= 0.0585365
CONNECTIONS:
o TS101 (467.4) o EQ5
o TS102 (645.1) o EQ5
o TS164 (518.0) o EQ11
o TS165 (518.1) o EQ11
o TS437 (446.5) o EQ46
o TS438 (448.2) o EQ50
o TS439 (454.0) o EQ50
o TS440 (459.9) o EQ50
o TS441 (467.9) o DDC149
o TS442 (496.5) o DDC150
o TS443 (558.5) o DDC151
[ EQ47 ] C1 ENERGY= 436.0 kJ/mol ( -228.9157230 Hartree)
Energy+ZPE= 418.5 kJ/mol ZPE= 0.0553591
CONNECTIONS:
o TS103 (538.6) o EQ5
o TS415 (529.4) o EQ43
o TS416 (536.9) o EQ43
o TS444 (437.1) o EQ47
o TS445 (437.0) o EQ48
o TS446 (437.0) o DDC152
o TS447 (542.3) o DDC153
[ EQ48 ] C1 ENERGY= 437.0 kJ/mol ( -228.9153586 Hartree)
Energy+ZPE= 418.7 kJ/mol ZPE= 0.0550829
CONNECTIONS:
o TS445 (437.0) o EQ47
o UDC65 o
o UDC66 o
[ EQ49 ] Cs ENERGY= 439.0 kJ/mol ( -228.9145719 Hartree)
Energy+ZPE= 428.9 kJ/mol ZPE= 0.0581989
CONNECTIONS:
o TS240 (490.1) o EQ20
o TS420 (441.4) o EQ44
o TS448 (603.2) o EQ57
o UDC67 o
[ EQ50 ] C1 ENERGY= 444.7 kJ/mol ( -228.9124125 Hartree)
Energy+ZPE= 435.6 kJ/mol ZPE= 0.0585701
CONNECTIONS:
o TS118 (469.4) o EQ6
o TS166 (518.2) o EQ11
o TS438 (448.2) o EQ46
o TS439 (454.0) o EQ46
o TS440 (459.9) o EQ46
o TS449 (453.1) o EQ50
o TS450 (558.5) o DDC154
[ EQ51 ] Cs ENERGY= 450.4 kJ/mol ( -228.9102181 Hartree)
Energy+ZPE= 444.6 kJ/mol ZPE= 0.0598090
CONNECTIONS:
o TS288 (554.5) o EQ28
o TS348 (532.1) o EQ35
o TS451 (457.3) o EQ51
o TS452 (609.6) o EQ55
o TS453 (690.1) o EQ83
o TS454 (860.0) o EQ98
o TS455 (960.5) o EQ109
o TS456 (960.7) o EQ109
o TS457 (772.1) o DDC155
o TS458 (826.3) o DDC156
o TS459 (952.5) o DDC157
o UDC68 o
[ EQ52 ] C1 ENERGY= 453.0 kJ/mol ( -228.9092513 Hartree)
Energy+ZPE= 439.6 kJ/mol ZPE= 0.0569492
CONNECTIONS:
o TS16 (496.0) o EQ1
o TS349 (631.7) o EQ35
o TS460 (453.2) o EQ52
o TS461 (454.2) o EQ52
o TS462 (688.5) o EQ84
o TS463 (702.3) o EQ87
o TS464 (828.9) o EQ98
o TS465 (467.4) o DDC158
o TS466 (789.2) o DDC159
o TS467 (821.9) o DDC160
[ EQ53 ] Cs ENERGY= 454.4 kJ/mol ( -228.9087119 Hartree)
Energy+ZPE= 444.1 kJ/mol ZPE= 0.0581206
CONNECTIONS:
o TS247 (493.7) o EQ21
o TS421 (455.9) o EQ44
o UDC69 o
o UDC70 o
[ EQ54 ] C1 ENERGY= 462.7 kJ/mol ( -228.9055479 Hartree)
Energy+ZPE= 458.2 kJ/mol ZPE= 0.0603297
CONNECTIONS:
o TS130 (516.7) o EQ7
o TS167 (483.5) o EQ11
o TS179 (474.3) o EQ12
o TS217 (500.3) o EQ17
o TS468 (500.2) o EQ54
o TS469 (520.0) o EQ58
o TS470 (522.2) o EQ58
o TS471 (501.1) o EQ59
o TS472 (512.9) o EQ59
o TS473 (613.9) o DDC161
o TS474 (753.7) o DDC162
o UDC71 o
[ EQ55 ] Cs ENERGY= 463.0 kJ/mol ( -228.9054510 Hartree)
Energy+ZPE= 456.6 kJ/mol ZPE= 0.0596062
CONNECTIONS:
o TS289 (539.1) o EQ28
o TS452 (609.6) o EQ51
o TS475 (468.4) o EQ55
o TS476 (606.8) o EQ71
o TS477 (963.1) o EQ79
o TS478 (921.2) o EQ102
o TS479 (939.7) o EQ103
o UDC72 o
o UDC73 o
o UDC74 o
o UDC75 o
[ EQ56 ] C1 ENERGY= 471.3 kJ/mol ( -228.9022859 Hartree)
Energy+ZPE= 457.9 kJ/mol ZPE= 0.0569391
CONNECTIONS:
o TS35 (479.4) o EQ2
o TS75 (479.4) o EQ4
o TS76 (493.0) o EQ4
o TS480 (477.5) o EQ56
o TS481 (513.8) o EQ62
o TS482 (503.2) o DDC163
[ EQ57 ] C1 ENERGY= 472.1 kJ/mol ( -228.9019535 Hartree)
Energy+ZPE= 458.0 kJ/mol ZPE= 0.0566592
CONNECTIONS:
o TS5 (503.5) o EQ0
o TS77 (473.1) o EQ4
o TS104 (506.5) o EQ5
o TS448 (603.2) o EQ49
o TS483 (472.3) o EQ57
[ EQ58 ] C1 ENERGY= 482.2 kJ/mol ( -228.8981119 Hartree)
Energy+ZPE= 476.3 kJ/mol ZPE= 0.0597914
CONNECTIONS:
o TS149 (532.5) o EQ9
o TS168 (494.4) o EQ11
o TS187 (488.2) o EQ13
o TS469 (520.0) o EQ54
o TS470 (522.2) o EQ54
o TS484 (515.9) o EQ59
o TS485 (527.3) o EQ69
o TS486 (532.0) o EQ69
o TS487 (758.8) o DDC164
o UDC76 o
[ EQ59 ] C1 ENERGY= 483.2 kJ/mol ( -228.8977467 Hartree)
Energy+ZPE= 477.5 kJ/mol ZPE= 0.0598648
CONNECTIONS:
o TS153 (526.0) o EQ10
o TS169 (515.0) o EQ11
o TS188 (507.0) o EQ13
o TS225 (511.7) o EQ18
o TS471 (501.1) o EQ54
o TS472 (512.9) o EQ54
o TS484 (515.9) o EQ58
o TS488 (542.9) o EQ69
o TS489 (641.3) o DDC165
o TS490 (767.7) o DDC166
o UDC77 o
[ EQ60 ] C1 ENERGY= 484.6 kJ/mol ( -228.8972126 Hartree)
Energy+ZPE= 478.9 kJ/mol ZPE= 0.0598781
CONNECTIONS:
o TS131 (525.4) o EQ7
o TS154 (534.6) o EQ10
o TS189 (491.0) o EQ13
o TS218 (524.5) o EQ17
o TS321 (757.4) o EQ32
o TS491 (510.7) o EQ63
o TS492 (512.2) o EQ63
o TS493 (518.8) o EQ64
o TS494 (532.1) o EQ65
[ EQ61 ] Cs ENERGY= 489.0 kJ/mol ( -228.8955308 Hartree)
Energy+ZPE= 466.1 kJ/mol ZPE= 0.0532945
CONNECTIONS:
o TS495 (489.7) o DDC167
o TS496 (490.6) o DDC168
[ EQ62 ] C1 ENERGY= 490.6 kJ/mol ( -228.8949406 Hartree)
Energy+ZPE= 475.1 kJ/mol ZPE= 0.0561208
CONNECTIONS:
o TS57 (491.6) o EQ3
o TS105 (495.8) o EQ5
o TS106 (514.8) o EQ5
o TS481 (513.8) o EQ56
o TS497 (536.7) o DDC169
o TS498 (570.8) o DDC170
o TS499 (573.7) o DDC171
[ EQ63 ] C1 ENERGY= 492.9 kJ/mol ( -228.8940656 Hartree)
Energy+ZPE= 486.7 kJ/mol ZPE= 0.0596767
CONNECTIONS:
o TS132 (524.9) o EQ7
o TS198 (504.1) o EQ14
o TS207 (546.6) o EQ16
o TS226 (526.8) o EQ18
o TS300 (747.0) o EQ29
o TS491 (510.7) o EQ60
o TS492 (512.2) o EQ60
o TS500 (529.9) o EQ63
o TS501 (530.3) o EQ64
o UDC78 o
[ EQ64 ] C1 ENERGY= 498.4 kJ/mol ( -228.8919494 Hartree)
Energy+ZPE= 491.5 kJ/mol ZPE= 0.0594146
CONNECTIONS:
o TS133 (528.9) o EQ7
o TS170 (552.2) o EQ11
o TS190 (515.7) o EQ13
o TS301 (771.1) o EQ29
o TS493 (518.8) o EQ60
o TS501 (530.3) o EQ63
o TS502 (514.4) o EQ65
o TS503 (532.8) o EQ65
o TS504 (533.7) o EQ65
o TS505 (633.6) o DDC172
o UDC79 o
o UDC80 o
[ EQ65 ] C1 ENERGY= 501.5 kJ/mol ( -228.8907637 Hartree)
Energy+ZPE= 494.5 kJ/mol ZPE= 0.0593688
CONNECTIONS:
o TS134 (546.7) o EQ7
o TS180 (511.8) o EQ12
o TS322 (790.8) o EQ32
o TS494 (532.1) o EQ60
o TS502 (514.4) o EQ64
o TS503 (532.8) o EQ64
o TS504 (533.7) o EQ64
o TS506 (525.1) o EQ65
o TS507 (629.4) o DDC173
[ EQ66 ] Cs ENERGY= 505.9 kJ/mol ( -228.8890986 Hartree)
Energy+ZPE= 491.0 kJ/mol ZPE= 0.0563577
CONNECTIONS:
o TS508 (508.8) o EQ66
o TS509 (735.0) o EQ89
o TS510 (741.1) o EQ92
o TS511 (934.0) o EQ102
o TS512 (996.7) o EQ102
o TS513 (515.1) o DDC174
o TS514 (515.7) o DDC175
o TS515 (728.9) o DDC176
o TS516 (762.9) o DDC177
o UDC81 o
[ EQ67 ] C1 ENERGY= 506.9 kJ/mol ( -228.8887141 Hartree)
Energy+ZPE= 498.5 kJ/mol ZPE= 0.0588262
CONNECTIONS:
o TS517 (522.7) o EQ67
o TS518 (511.5) o EQ68
o TS519 (532.3) o EQ68
o TS520 (517.8) o DDC178
o TS521 (545.3) o DDC179
[ EQ68 ] C1 ENERGY= 508.9 kJ/mol ( -228.8879394 Hartree)
Energy+ZPE= 500.7 kJ/mol ZPE= 0.0589006
CONNECTIONS:
o TS171 (555.1) o EQ11
o TS518 (511.5) o EQ67
o TS519 (532.3) o EQ67
o TS522 (522.7) o EQ68
o TS523 (549.3) o DDC180
o TS524 (795.1) o DDC181
[ EQ69 ] C1 ENERGY= 512.4 kJ/mol ( -228.8866118 Hartree)
Energy+ZPE= 505.3 kJ/mol ZPE= 0.0593117
CONNECTIONS:
o TS135 (537.9) o EQ7
o TS172 (538.6) o EQ11
o TS199 (526.4) o EQ14
o TS485 (527.3) o EQ58
o TS486 (532.0) o EQ58
o TS488 (542.9) o EQ59
o TS525 (547.4) o EQ69
o TS526 (776.9) o DDC182
[ EQ70 ] Cs ENERGY= 515.0 kJ/mol ( -228.8856475 Hartree)
Energy+ZPE= 504.6 kJ/mol ZPE= 0.0580606
CONNECTIONS:
o TS191 (545.6) o EQ13
o TS527 (545.4) o EQ70
o TS528 (532.0) o EQ73
o TS529 (870.1) o EQ106
o TS530 (651.3) o DDC183
[ EQ71 ] Cs ENERGY= 518.0 kJ/mol ( -228.8845044 Hartree)
Energy+ZPE= 506.8 kJ/mol ZPE= 0.0577807
CONNECTIONS:
o TS381 (662.4) o EQ38
o TS476 (606.8) o EQ55
o TS531 (523.8) o EQ71
o TS532 (529.6) o EQ72
o TS533 (686.3) o EQ84
o TS534 (830.9) o DDC184
o UDC82 o
[ EQ72 ] C1 ENERGY= 523.6 kJ/mol ( -228.8823707 Hartree)
Energy+ZPE= 508.3 kJ/mol ZPE= 0.0562008
CONNECTIONS:
o TS17 (532.8) o EQ1
o TS372 (667.9) o EQ37
o TS532 (529.6) o EQ71
o TS535 (526.3) o EQ72
o TS536 (705.6) o EQ87
o TS537 (867.3) o EQ103
[ EQ73 ] C1 ENERGY= 531.4 kJ/mol ( -228.8793734 Hartree)
Energy+ZPE= 517.8 kJ/mol ZPE= 0.0568501
CONNECTIONS:
o TS200 (560.8) o EQ14
o TS528 (532.0) o EQ70
o TS538 (534.2) o EQ73
o TS539 (645.5) o DDC185
o TS540 (645.6) o DDC186
o TS541 (651.8) o DDC187
[ EQ74 ] C1 ENERGY= 550.0 kJ/mol ( -228.8723071 Hartree)
Energy+ZPE= 533.0 kJ/mol ZPE= 0.0555535
CONNECTIONS:
o TS58 (562.8) o EQ3
o TS542 (551.2) o EQ74
o TS543 (941.3) o EQ109
o TS544 (1010.4) o EQ117
o TS545 (553.3) o DDC188
o UDC83 o
[ EQ75 ] C1 ENERGY= 561.4 kJ/mol ( -228.8679759 Hartree)
Energy+ZPE= 533.4 kJ/mol ZPE= 0.0513817
CONNECTIONS:
o TS255 (569.3) o EQ22
o TS546 (564.5) o EQ75
o TS547 (567.3) o DDC189
o TS548 (570.3) o DDC190
[ EQ76 ] C1 ENERGY= 616.1 kJ/mol ( -228.8471424 Hartree)
Energy+ZPE= 609.0 kJ/mol ZPE= 0.0593305
CONNECTIONS:
o TS78 (805.9) o EQ4
o TS227 (815.8) o EQ18
o TS350 (638.8) o EQ35
o TS351 (885.5) o EQ35
o TS549 (639.1) o EQ76
o TS550 (634.5) o EQ77
o TS551 (633.4) o EQ78
o TS552 (767.6) o EQ83
o TS553 (847.9) o EQ96
o TS554 (868.9) o EQ98
o TS555 (871.5) o EQ98
o TS556 (688.9) o DDC191
o UDC84 o
o UDC85 o
[ EQ77 ] C1 ENERGY= 617.1 kJ/mol ( -228.8467326 Hartree)
Energy+ZPE= 610.6 kJ/mol ZPE= 0.0595426
CONNECTIONS:
o TS290 (784.2) o EQ28
o TS382 (640.4) o EQ38
o TS383 (681.9) o EQ38
o TS384 (788.5) o EQ38
o TS550 (634.5) o EQ76
o TS557 (641.9) o EQ77
o TS558 (624.2) o EQ78
o TS559 (927.7) o EQ87
o TS560 (933.9) o EQ103
o TS561 (911.0) o EQ113
o TS562 (922.1) o EQ113
o TS563 (1315.8) o DDC192
o UDC86 o
o UDC87 o
[ EQ78 ] C1 ENERGY= 619.9 kJ/mol ( -228.8456806 Hartree)
Energy+ZPE= 613.2 kJ/mol ZPE= 0.0594820
CONNECTIONS:
o TS373 (637.5) o EQ37
o TS374 (691.2) o EQ37
o TS375 (802.5) o EQ37
o TS551 (633.4) o EQ76
o TS558 (624.2) o EQ77
o TS564 (743.0) o EQ88
o UDC88 o
o UDC89 o
o UDC90 o
[ EQ79 ] Cs ENERGY= 624.2 kJ/mol ( -228.8440462 Hartree)
Energy+ZPE= 619.6 kJ/mol ZPE= 0.0602639
CONNECTIONS:
o TS430 (688.1) o EQ45
o TS431 (732.5) o EQ45
o TS477 (963.1) o EQ55
o TS565 (730.0) o EQ79
o TS566 (733.3) o EQ79
o TS567 (756.1) o EQ90
o TS568 (975.9) o EQ102
o TS569 (982.5) o EQ109
o TS570 (902.8) o EQ112
o TS571 (963.7) o EQ115
o TS572 (646.4) o DDC193
o TS573 (740.6) o DDC194
o TS574 (912.5) o DDC195
o TS575 (1059.7) o DDC196
o UDC91 o
o UDC92 o
[ EQ80 ] Cs ENERGY= 635.3 kJ/mol ( -228.8398297 Hartree)
Energy+ZPE= 614.4 kJ/mol ZPE= 0.0540793
CONNECTIONS:
o TS576 (635.5) o DDC197
[ EQ81 ] C1 ENERGY= 666.2 kJ/mol ( -228.8280473 Hartree)
Energy+ZPE= 651.1 kJ/mol ZPE= 0.0562788
CONNECTIONS:
o TS248 (680.1) o EQ21
o TS302 (677.3) o EQ29
o TS303 (685.1) o EQ29
o TS401 (747.1) o EQ40
o TS577 (666.5) o EQ81
o TS578 (702.7) o EQ81
o TS579 (737.7) o EQ81
o TS580 (737.6) o DDC198
o TS581 (764.5) o DDC199
o UDC93 o
[ EQ82 ] C1 ENERGY= 670.4 kJ/mol ( -228.8264514 Hartree)
Energy+ZPE= 654.3 kJ/mol ZPE= 0.0558882
CONNECTIONS:
o TS281 (670.5) o EQ27
o TS282 (684.7) o EQ27
o TS582 (674.9) o EQ82
o TS583 (690.8) o EQ85
o TS584 (807.9) o DDC200
o UDC94 o
[ EQ83 ] Cs ENERGY= 675.3 kJ/mol ( -228.8245699 Hartree)
Energy+ZPE= 661.2 kJ/mol ZPE= 0.0566808
CONNECTIONS:
o TS432 (686.4) o EQ45
o TS453 (690.1) o EQ51
o TS552 (767.6) o EQ76
o TS585 (713.8) o DDC201
[ EQ84 ] C1 ENERGY= 685.0 kJ/mol ( -228.8208761 Hartree)
Energy+ZPE= 672.0 kJ/mol ZPE= 0.0570952
CONNECTIONS:
o TS6 (703.7) o EQ0
o TS291 (711.9) o EQ28
o TS462 (688.5) o EQ52
o TS533 (686.3) o EQ71
o TS586 (835.3) o EQ84
o TS587 (824.7) o EQ98
[ EQ85 ] C1 ENERGY= 690.7 kJ/mol ( -228.8187192 Hartree)
Energy+ZPE= 671.5 kJ/mol ZPE= 0.0547063
CONNECTIONS:
o TS249 (851.7) o EQ21
o TS583 (690.8) o EQ82
o UDC95 o
[ EQ86 ] C1 ENERGY= 699.1 kJ/mol ( -228.8155214 Hartree)
Energy+ZPE= 678.3 kJ/mol ZPE= 0.0541197
CONNECTIONS:
o TS261 (700.4) o EQ23
o TS323 (704.0) o EQ32
o TS588 (702.9) o EQ86
o TS589 (766.2) o DDC202
[ EQ87 ] C1 ENERGY= 701.8 kJ/mol ( -228.8144678 Hartree)
Energy+ZPE= 688.4 kJ/mol ZPE= 0.0569153
CONNECTIONS:
o TS7 (718.6) o EQ0
o TS18 (751.6) o EQ1
o TS463 (702.3) o EQ52
o TS536 (705.6) o EQ72
o TS559 (927.7) o EQ77
o TS590 (822.6) o EQ87
o TS591 (854.7) o EQ103
o TS592 (831.7) o DDC203
o TS593 (898.3) o DDC204
[ EQ88 ] C1 ENERGY= 712.8 kJ/mol ( -228.8102813 Hartree)
Energy+ZPE= 696.0 kJ/mol ZPE= 0.0556246
CONNECTIONS:
o TS376 (752.1) o EQ37
o TS564 (743.0) o EQ78
o TS594 (726.8) o EQ88
o TS595 (728.8) o DDC205
o TS596 (731.2) o DDC206
o TS597 (742.2) o DDC207
o TS598 (751.0) o DDC208
o TS599 (758.0) o DDC209
[ EQ89 ] C1 ENERGY= 721.5 kJ/mol ( -228.8069916 Hartree)
Energy+ZPE= 712.4 kJ/mol ZPE= 0.0585861
CONNECTIONS:
o TS36 (735.5) o EQ2
o TS37 (736.5) o EQ2
o TS38 (779.1) o EQ2
o TS292 (843.4) o EQ28
o TS509 (735.0) o EQ66
o TS600 (729.6) o EQ89
o TS601 (922.3) o EQ89
o TS602 (864.1) o EQ102
o TS603 (930.8) o EQ109
o TS604 (739.5) o DDC210
[ EQ90 ] C1 ENERGY= 726.2 kJ/mol ( -228.8051877 Hartree)
Energy+ZPE= 716.7 kJ/mol ZPE= 0.0583994
CONNECTIONS:
o TS352 (755.9) o EQ35
o TS385 (771.0) o EQ38
o TS567 (756.1) o EQ79
o TS605 (727.7) o DDC211
o TS606 (1024.4) o DDC212
o UDC96 o
[ EQ91 ] C1 ENERGY= 738.2 kJ/mol ( -228.8006210 Hartree)
Energy+ZPE= 719.3 kJ/mol ZPE= 0.0548235
CONNECTIONS:
o TS353 (738.2) o EQ35
o TS377 (741.6) o EQ37
o TS607 (782.2) o DDC213
o TS608 (784.0) o DDC214
o TS609 (898.2) o DDC215
o UDC97 o
[ EQ92 ] C1 ENERGY= 738.7 kJ/mol ( -228.8004343 Hartree)
Energy+ZPE= 728.5 kJ/mol ZPE= 0.0581358
CONNECTIONS:
o TS39 (780.2) o EQ2
o TS510 (741.1) o EQ66
o TS610 (749.0) o EQ92
o TS611 (860.1) o EQ92
o TS612 (909.0) o EQ102
o TS613 (901.3) o EQ109
o TS614 (904.5) o DDC216
o UDC98 o
[ EQ93 ] C1 ENERGY= 742.0 kJ/mol ( -228.7991759 Hartree)
Energy+ZPE= 724.2 kJ/mol ZPE= 0.0552490
CONNECTIONS:
o TS354 (754.8) o EQ35
o TS615 (750.5) o EQ93
o TS616 (770.0) o DDC217
o TS617 (776.9) o DDC218
o UDC99 o
[ EQ94 ] C1 ENERGY= 742.5 kJ/mol ( -228.7989876 Hartree)
Energy+ZPE= 723.8 kJ/mol ZPE= 0.0549255
CONNECTIONS:
o TS40 (745.0) o EQ2
o TS41 (752.3) o EQ2
o TS334 (760.9) o EQ34
o TS618 (750.9) o DDC219
o TS619 (751.7) o DDC220
o TS620 (768.8) o DDC221
o TS621 (823.5) o DDC222
o TS622 (861.6) o DDC223
[ EQ95 ] C1 ENERGY= 744.4 kJ/mol ( -228.7982696 Hartree)
Energy+ZPE= 726.0 kJ/mol ZPE= 0.0550101
CONNECTIONS:
o TS404 (775.1) o EQ41
o TS405 (775.2) o EQ41
o TS408 (781.7) o EQ42
o TS623 (761.8) o EQ95
o TS624 (749.6) o DDC224
o TS625 (752.9) o DDC225
o TS626 (758.3) o DDC226
o TS627 (768.6) o DDC227
o TS628 (831.5) o DDC228
[ EQ96 ] C1 ENERGY= 760.3 kJ/mol ( -228.7922140 Hartree)
Energy+ZPE= 749.8 kJ/mol ZPE= 0.0580517
CONNECTIONS:
o TS228 (794.8) o EQ18
o TS355 (760.3) o EQ35
o TS553 (847.9) o EQ76
o TS629 (764.4) o EQ97
o UDC100 o
[ EQ97 ] C1 ENERGY= 764.1 kJ/mol ( -228.7907367 Hartree)
Energy+ZPE= 753.9 kJ/mol ZPE= 0.0581680
CONNECTIONS:
o TS356 (764.1) o EQ35
o TS629 (764.4) o EQ96
o UDC101 o
[ EQ98 ] Cs ENERGY= 768.4 kJ/mol ( -228.7891161 Hartree)
Energy+ZPE= 757.4 kJ/mol ZPE= 0.0578306
CONNECTIONS:
o TS454 (860.0) o EQ51
o TS464 (828.9) o EQ52
o TS554 (868.9) o EQ76
o TS555 (871.5) o EQ76
o TS587 (824.7) o EQ84
o TS630 (773.0) o EQ98
o TS631 (1020.1) o EQ103
o TS632 (843.0) o DDC229
[ EQ99 ] C1 ENERGY= 785.7 kJ/mol ( -228.7825229 Hartree)
Energy+ZPE= 766.5 kJ/mol ZPE= 0.0547104
CONNECTIONS:
o TS633 (799.6) o EQ99
o TS634 (786.8) o EQ100
o TS635 (848.7) o EQ104
o TS636 (850.8) o EQ106
o TS637 (789.1) o DDC230
o UDC102 o
[ EQ100 ] C1 ENERGY= 786.7 kJ/mol ( -228.7821328 Hartree)
Energy+ZPE= 767.1 kJ/mol ZPE= 0.0545712
CONNECTIONS:
o TS634 (786.8) o EQ99
[ EQ101 ] C2v ENERGY= 796.1 kJ/mol ( -228.7785612 Hartree)
Energy+ZPE= 789.9 kJ/mol ZPE= 0.0596727
CONNECTIONS:
o TS638 (961.7) o EQ107
o TS639 (859.9) o EQ108
o TS640 (809.1) o DDC231
o UDC103 o
[ EQ102 ] Cs ENERGY= 808.8 kJ/mol ( -228.7737439 Hartree)
Energy+ZPE= 800.6 kJ/mol ZPE= 0.0589110
CONNECTIONS:
o TS250 (971.7) o EQ21
o TS315 (985.5) o EQ30
o TS478 (921.2) o EQ55
o TS511 (934.0) o EQ66
o TS512 (996.7) o EQ66
o TS568 (975.9) o EQ79
o TS602 (864.1) o EQ89
o TS612 (909.0) o EQ92
o TS641 (816.7) o EQ102
o TS642 (1043.8) o EQ109
o TS643 (1016.4) o EQ115
o TS644 (978.5) o EQ116
o TS645 (1256.0) o DDC232
o TS646 (1279.1) o DDC233
o UDC104 o
o UDC105 o
o UDC106 o
o UDC107 o
[ EQ103 ] Cs ENERGY= 811.7 kJ/mol ( -228.7726270 Hartree)
Energy+ZPE= 798.6 kJ/mol ZPE= 0.0570343
CONNECTIONS:
o TS479 (939.7) o EQ55
o TS537 (867.3) o EQ72
o TS560 (933.9) o EQ77
o TS591 (854.7) o EQ87
o TS631 (1020.1) o EQ98
o TS647 (821.9) o EQ103
o TS648 (920.9) o DDC234
o TS649 (1152.1) o DDC235
o UDC108 o
[ EQ104 ] Ci ENERGY= 829.2 kJ/mol ( -228.7659634 Hartree)
Energy+ZPE= 813.8 kJ/mol ZPE= 0.0561659
CONNECTIONS:
o TS201 (855.2) o EQ14
o TS635 (848.7) o EQ99
o TS650 (851.3) o EQ104
o TS651 (836.3) o EQ106
o TS652 (843.4) o EQ106
o TS653 (860.3) o EQ106
o TS654 (992.6) o DDC236
[ EQ105 ] C1 ENERGY= 830.6 kJ/mol ( -228.7654217 Hartree)
Energy+ZPE= 821.8 kJ/mol ZPE= 0.0586931
CONNECTIONS:
o TS655 (833.8) o EQ105
o TS656 (882.9) o EQ107
o TS657 (887.6) o EQ107
o TS658 (993.8) o EQ108
o TS659 (838.8) o DDC237
o TS660 (844.8) o DDC238
o UDC109 o
[ EQ106 ] C2 ENERGY= 830.8 kJ/mol ( -228.7653384 Hartree)
Energy+ZPE= 815.4 kJ/mol ZPE= 0.0561579
CONNECTIONS:
o TS202 (855.9) o EQ14
o TS529 (870.1) o EQ70
o TS636 (850.8) o EQ99
o TS651 (836.3) o EQ104
o TS652 (843.4) o EQ104
o TS653 (860.3) o EQ104
[ EQ107 ] Cs ENERGY= 832.4 kJ/mol ( -228.7647547 Hartree)
Energy+ZPE= 822.6 kJ/mol ZPE= 0.0582945
CONNECTIONS:
o TS638 (961.7) o EQ101
o TS656 (882.9) o EQ105
o TS657 (887.6) o EQ105
o TS661 (999.3) o EQ110
o TS662 (840.5) o DDC239
o UDC110 o
[ EQ108 ] Cs ENERGY= 833.5 kJ/mol ( -228.7643129 Hartree)
Energy+ZPE= 824.6 kJ/mol ZPE= 0.0586612
CONNECTIONS:
o TS639 (859.9) o EQ101
o TS658 (993.8) o EQ105
o TS663 (900.5) o EQ111
o TS664 (848.0) o DDC240
o TS665 (848.5) o DDC241
o TS666 (1165.8) o DDC242
[ EQ109 ] Cs ENERGY= 847.9 kJ/mol ( -228.7588282 Hartree)
Energy+ZPE= 837.9 kJ/mol ZPE= 0.0582204
CONNECTIONS:
o TS455 (960.5) o EQ51
o TS456 (960.7) o EQ51
o TS543 (941.3) o EQ74
o TS569 (982.5) o EQ79
o TS603 (930.8) o EQ89
o TS613 (901.3) o EQ92
o TS642 (1043.8) o EQ102
o TS667 (855.3) o EQ109
o TS668 (1001.0) o EQ117
o TS669 (1004.6) o DDC243
o TS670 (1283.3) o DDC244
o TS671 (1296.8) o DDC245
o UDC111 o
o UDC112 o
[ EQ110 ] C2v ENERGY= 879.2 kJ/mol ( -228.7469173 Hartree)
Energy+ZPE= 864.8 kJ/mol ZPE= 0.0565431
CONNECTIONS:
o TS661 (999.3) o EQ107
o TS672 (890.1) o EQ111
o TS673 (884.5) o DDC246
o TS674 (983.2) o DDC247
[ EQ111 ] C2v ENERGY= 880.9 kJ/mol ( -228.7462505 Hartree)
Energy+ZPE= 869.4 kJ/mol ZPE= 0.0576511
CONNECTIONS:
o TS663 (900.5) o EQ108
o TS672 (890.1) o EQ110
o TS675 (1160.8) o DDC248
[ EQ112 ] C1 ENERGY= 892.9 kJ/mol ( -228.7417001 Hartree)
Energy+ZPE= 877.4 kJ/mol ZPE= 0.0561409
CONNECTIONS:
o TS570 (902.8) o EQ79
o TS676 (894.1) o EQ112
o TS677 (977.9) o EQ112
o TS678 (942.9) o EQ115
o TS679 (972.6) o DDC249
[ EQ113 ] C1 ENERGY= 905.5 kJ/mol ( -228.7369078 Hartree)
Energy+ZPE= 887.0 kJ/mol ZPE= 0.0549840
CONNECTIONS:
o TS357 (911.0) o EQ35
o TS358 (934.6) o EQ35
o TS561 (911.0) o EQ77
o TS562 (922.1) o EQ77
o TS680 (952.0) o EQ113
o TS681 (907.2) o DDC250
[ EQ114 ] C1 ENERGY= 919.8 kJ/mol ( -228.7314375 Hartree)
Energy+ZPE= 896.9 kJ/mol ZPE= 0.0532988
CONNECTIONS:
o TS316 (925.0) o EQ30
o TS422 (922.1) o EQ44
o TS682 (940.6) o DDC251
o TS683 (943.0) o DDC252
o TS684 (1020.9) o DDC253
[ EQ115 ] Cs ENERGY= 942.3 kJ/mol ( -228.7228774 Hartree)
Energy+ZPE= 922.6 kJ/mol ZPE= 0.0545260
CONNECTIONS:
o TS571 (963.7) o EQ79
o TS643 (1016.4) o EQ102
o TS678 (942.9) o EQ112
o TS685 (970.1) o DDC254
[ EQ116 ] C1 ENERGY= 964.8 kJ/mol ( -228.7142926 Hartree)
Energy+ZPE= 937.6 kJ/mol ZPE= 0.0516638
CONNECTIONS:
o TS644 (978.5) o EQ102
o TS686 (965.2) o DDC255
o TS687 (971.3) o DDC256
o TS688 (978.2) o DDC257
o UDC113 o
o UDC114 o
[ EQ117 ] Cs ENERGY= 994.3 kJ/mol ( -228.7030656 Hartree)
Energy+ZPE= 969.4 kJ/mol ZPE= 0.0525610
CONNECTIONS:
o TS544 (1010.4) o EQ74
o TS668 (1001.0) o EQ109
o TS689 (1002.3) o DDC258
o TS690 (1013.6) o DDC259
o UDC115 o
[ TS0 ] Animation Cs ENERGY= 1.5 kJ/mol
Energy+ZPE= 1.4 kJ/mol ZPE= 0.0619813
CONNECTIONS:
o EQ0 o EQ0
[ TS1 ] Animation C1 ENERGY= 59.2 kJ/mol
Energy+ZPE= 54.2 kJ/mol ZPE= 0.0601339
CONNECTIONS:
o EQ0 o EQ1
[ TS2 ] Animation C1 ENERGY= 326.6 kJ/mol
Energy+ZPE= 311.5 kJ/mol ZPE= 0.0562773
CONNECTIONS:
o EQ0 o EQ7
[ TS3 ] Animation C1 ENERGY= 485.9 kJ/mol
Energy+ZPE= 469.6 kJ/mol ZPE= 0.0558224
CONNECTIONS:
o EQ0 o EQ17
[ TS4 ] Animation C1 ENERGY= 447.7 kJ/mol
Energy+ZPE= 437.2 kJ/mol ZPE= 0.0580248
CONNECTIONS:
o EQ0 o EQ20
[ TS5 ] Animation Cs ENERGY= 503.5 kJ/mol
Energy+ZPE= 478.7 kJ/mol ZPE= 0.0526072
CONNECTIONS:
o EQ0 o EQ57
[ TS6 ] Animation C1 ENERGY= 703.7 kJ/mol
Energy+ZPE= 687.3 kJ/mol ZPE= 0.0557892
CONNECTIONS:
o EQ0 o EQ84
[ TS7 ] Animation C1 ENERGY= 718.6 kJ/mol
Energy+ZPE= 702.5 kJ/mol ZPE= 0.0558899
CONNECTIONS:
o EQ0 o EQ87
[ TS8 ] Animation C1 ENERGY= 334.4 kJ/mol
Energy+ZPE= 314.4 kJ/mol ZPE= 0.0544353
CONNECTIONS:
o EQ0 o DDC0
[ TS9 ] Animation C1 ENERGY= 338.3 kJ/mol
Energy+ZPE= 317.5 kJ/mol ZPE= 0.0541206
CONNECTIONS:
o EQ0 o DDC1
[ TS10 ] Animation C1 ENERGY= 469.3 kJ/mol
Energy+ZPE= 452.8 kJ/mol ZPE= 0.0557501
CONNECTIONS:
o EQ0 o DDC2
[ TS11 ] Animation C1 ENERGY= 502.2 kJ/mol
Energy+ZPE= 466.3 kJ/mol ZPE= 0.0483459
CONNECTIONS:
o EQ0 o DDC3
[ TS12 ] Animation C1 ENERGY= 507.8 kJ/mol
Energy+ZPE= 481.9 kJ/mol ZPE= 0.0521540
CONNECTIONS:
o EQ0 o DDC4
[ TS13 ] Animation Cs ENERGY= 28.8 kJ/mol
Energy+ZPE= 27.6 kJ/mol ZPE= 0.0615834
CONNECTIONS:
o EQ1 o EQ1
[ TS14 ] Animation C1 ENERGY= 334.4 kJ/mol
Energy+ZPE= 319.4 kJ/mol ZPE= 0.0563375
CONNECTIONS:
o EQ1 o EQ9
[ TS15 ] Animation C1 ENERGY= 456.4 kJ/mol
Energy+ZPE= 446.8 kJ/mol ZPE= 0.0583805
CONNECTIONS:
o EQ1 o EQ21
[ TS16 ] Animation Cs ENERGY= 496.0 kJ/mol
Energy+ZPE= 479.4 kJ/mol ZPE= 0.0557304
CONNECTIONS:
o EQ1 o EQ52
[ TS17 ] Animation C1 ENERGY= 532.8 kJ/mol
Energy+ZPE= 515.1 kJ/mol ZPE= 0.0553041
CONNECTIONS:
o EQ1 o EQ72
[ TS18 ] Animation C1 ENERGY= 751.6 kJ/mol
Energy+ZPE= 735.8 kJ/mol ZPE= 0.0560030
CONNECTIONS:
o EQ1 o EQ87
[ TS19 ] Animation Cs ENERGY= 313.0 kJ/mol
Energy+ZPE= 291.3 kJ/mol ZPE= 0.0537516
CONNECTIONS:
o EQ1 o DDC5
[ TS20 ] Animation Cs ENERGY= 422.8 kJ/mol
Energy+ZPE= 395.3 kJ/mol ZPE= 0.0515757
CONNECTIONS:
o EQ1 o DDC6
[ TS21 ] Animation C1 ENERGY= 487.1 kJ/mol
Energy+ZPE= 471.6 kJ/mol ZPE= 0.0561155
CONNECTIONS:
o EQ1 o DDC7
[ TS22 ] Animation C1 ENERGY= 498.1 kJ/mol
Energy+ZPE= 465.7 kJ/mol ZPE= 0.0496983
CONNECTIONS:
o EQ1 o DDC8
[ TS23 ] Animation C1 ENERGY= 520.0 kJ/mol
Energy+ZPE= 482.9 kJ/mol ZPE= 0.0478928
CONNECTIONS:
o EQ1 o DDC9
[ TS24 ] Animation Cs ENERGY= 52.3 kJ/mol
Energy+ZPE= 52.8 kJ/mol ZPE= 0.0622309
CONNECTIONS:
o EQ2 o EQ2
[ TS25 ] Animation Cs ENERGY= 271.2 kJ/mol
Energy+ZPE= 264.1 kJ/mol ZPE= 0.0593241
CONNECTIONS:
o EQ2 o EQ2
[ TS26 ] Animation C1 ENERGY= 107.8 kJ/mol
Energy+ZPE= 105.5 kJ/mol ZPE= 0.0611424
CONNECTIONS:
o EQ2 o EQ3
[ TS27 ] Animation C1 ENERGY= 455.9 kJ/mol
Energy+ZPE= 447.5 kJ/mol ZPE= 0.0588462
CONNECTIONS:
o EQ2 o EQ17
[ TS28 ] Animation C1 ENERGY= 489.6 kJ/mol
Energy+ZPE= 473.1 kJ/mol ZPE= 0.0557506
CONNECTIONS:
o EQ2 o EQ17
[ TS29 ] Animation Cs ENERGY= 400.1 kJ/mol
Energy+ZPE= 383.7 kJ/mol ZPE= 0.0557705
CONNECTIONS:
o EQ2 o EQ22
[ TS30 ] Animation C1 ENERGY= 596.5 kJ/mol
Energy+ZPE= 585.6 kJ/mol ZPE= 0.0578945
CONNECTIONS:
o EQ2 o EQ34
[ TS31 ] Animation C1 ENERGY= 769.3 kJ/mol
Energy+ZPE= 741.1 kJ/mol ZPE= 0.0512950
CONNECTIONS:
o EQ2 o EQ34
[ TS32 ] Animation C1 ENERGY= 590.4 kJ/mol
Energy+ZPE= 578.9 kJ/mol ZPE= 0.0576603
CONNECTIONS:
o EQ2 o EQ39
[ TS33 ] Animation C1 ENERGY= 620.5 kJ/mol
Energy+ZPE= 606.4 kJ/mol ZPE= 0.0566713
CONNECTIONS:
o EQ2 o EQ39
[ TS34 ] Animation C1 ENERGY= 452.1 kJ/mol
Energy+ZPE= 440.7 kJ/mol ZPE= 0.0576929
CONNECTIONS:
o EQ2 o EQ44
[ TS35 ] Animation C1 ENERGY= 479.4 kJ/mol
Energy+ZPE= 458.6 kJ/mol ZPE= 0.0541138
CONNECTIONS:
o EQ2 o EQ56
[ TS36 ] Animation C1 ENERGY= 735.5 kJ/mol
Energy+ZPE= 721.6 kJ/mol ZPE= 0.0567360
CONNECTIONS:
o EQ2 o EQ89
[ TS37 ] Animation C1 ENERGY= 736.5 kJ/mol
Energy+ZPE= 721.9 kJ/mol ZPE= 0.0564799
CONNECTIONS:
o EQ2 o EQ89
[ TS38 ] Animation C1 ENERGY= 779.1 kJ/mol
Energy+ZPE= 766.9 kJ/mol ZPE= 0.0573722
CONNECTIONS:
o EQ2 o EQ89
[ TS39 ] Animation C1 ENERGY= 780.2 kJ/mol
Energy+ZPE= 766.0 kJ/mol ZPE= 0.0566196
CONNECTIONS:
o EQ2 o EQ92
[ TS40 ] Animation C1 ENERGY= 745.0 kJ/mol
Energy+ZPE= 727.4 kJ/mol ZPE= 0.0553224
CONNECTIONS:
o EQ2 o EQ94
[ TS41 ] Animation C1 ENERGY= 752.3 kJ/mol
Energy+ZPE= 732.0 kJ/mol ZPE= 0.0542986
CONNECTIONS:
o EQ2 o EQ94
[ TS42 ] Animation C1 ENERGY= 361.1 kJ/mol
Energy+ZPE= 342.6 kJ/mol ZPE= 0.0549912
CONNECTIONS:
o EQ2 o DDC10
[ TS43 ] Animation C1 ENERGY= 387.2 kJ/mol
Energy+ZPE= 370.6 kJ/mol ZPE= 0.0557070
CONNECTIONS:
o EQ2 o DDC11
[ TS44 ] Animation C1 ENERGY= 458.9 kJ/mol
Energy+ZPE= 447.0 kJ/mol ZPE= 0.0575003
CONNECTIONS:
o EQ2 o DDC12
[ TS45 ] Animation C1 ENERGY= 471.7 kJ/mol
Energy+ZPE= 457.6 kJ/mol ZPE= 0.0566578
CONNECTIONS:
o EQ2 o DDC13
[ TS46 ] Animation C1 ENERGY= 483.7 kJ/mol
Energy+ZPE= 454.3 kJ/mol ZPE= 0.0508270
CONNECTIONS:
o EQ2 o DDC14
[ TS47 ] Animation Cs ENERGY= 503.2 kJ/mol
Energy+ZPE= 479.2 kJ/mol ZPE= 0.0528940
CONNECTIONS:
o EQ2 o DDC15
[ TS48 ] Animation C1 ENERGY= 558.2 kJ/mol
Energy+ZPE= 539.8 kJ/mol ZPE= 0.0550167
CONNECTIONS:
o EQ2 o DDC16
[ TS49 ] Animation C1 ENERGY= 567.5 kJ/mol
Energy+ZPE= 544.7 kJ/mol ZPE= 0.0533398
CONNECTIONS:
o EQ2 o DDC17
[ TS50 ] Animation C1 ENERGY= 705.4 kJ/mol
Energy+ZPE= 681.0 kJ/mol ZPE= 0.0527303
CONNECTIONS:
o EQ2 o DDC18
[ TS51 ] Animation C1 ENERGY= 779.2 kJ/mol
Energy+ZPE= 741.7 kJ/mol ZPE= 0.0477687
CONNECTIONS:
o EQ2 o DDC19
[ TS52 ] Animation C1 ENERGY= 861.6 kJ/mol
Energy+ZPE= 836.1 kJ/mol ZPE= 0.0523249
CONNECTIONS:
o EQ2 o DDC20
[ TS53 ] Animation C1 ENERGY= 876.7 kJ/mol
Energy+ZPE= 848.6 kJ/mol ZPE= 0.0513212
CONNECTIONS:
o EQ2 o DDC21
[ TS54 ] Animation C1 ENERGY= 71.5 kJ/mol
Energy+ZPE= 70.3 kJ/mol ZPE= 0.0615637
CONNECTIONS:
o EQ3 o EQ3
[ TS55 ] Animation C1 ENERGY= 561.1 kJ/mol
Energy+ZPE= 538.5 kJ/mol ZPE= 0.0534300
CONNECTIONS:
o EQ3 o EQ4
[ TS56 ] Animation Cs ENERGY= 406.6 kJ/mol
Energy+ZPE= 389.7 kJ/mol ZPE= 0.0556132
CONNECTIONS:
o EQ3 o EQ21
[ TS57 ] Animation C1 ENERGY= 491.6 kJ/mol
Energy+ZPE= 473.0 kJ/mol ZPE= 0.0549413
CONNECTIONS:
o EQ3 o EQ62
[ TS58 ] Animation C1 ENERGY= 562.8 kJ/mol
Energy+ZPE= 542.6 kJ/mol ZPE= 0.0543378
CONNECTIONS:
o EQ3 o EQ74
[ TS59 ] Animation Cs ENERGY= 381.0 kJ/mol
Energy+ZPE= 352.7 kJ/mol ZPE= 0.0512734
CONNECTIONS:
o EQ3 o DDC22
[ TS60 ] Animation C1 ENERGY= 407.2 kJ/mol
Energy+ZPE= 387.6 kJ/mol ZPE= 0.0545775
CONNECTIONS:
o EQ3 o DDC23
[ TS61 ] Animation C1 ENERGY= 480.1 kJ/mol
Energy+ZPE= 451.5 kJ/mol ZPE= 0.0511237
CONNECTIONS:
o EQ3 o DDC24
[ TS62 ] Animation C1 ENERGY= 309.8 kJ/mol
Energy+ZPE= 294.5 kJ/mol ZPE= 0.0562189
CONNECTIONS:
o EQ4 o EQ4
[ TS63 ] Animation C1 ENERGY= 143.6 kJ/mol
Energy+ZPE= 141.5 kJ/mol ZPE= 0.0612354
CONNECTIONS:
o EQ4 o EQ5
[ TS64 ] Animation C1 ENERGY= 155.8 kJ/mol
Energy+ZPE= 152.5 kJ/mol ZPE= 0.0607646
CONNECTIONS:
o EQ4 o EQ5
[ TS65 ] Animation C1 ENERGY= 147.6 kJ/mol
Energy+ZPE= 142.9 kJ/mol ZPE= 0.0602538
CONNECTIONS:
o EQ4 o EQ8
[ TS66 ] Animation C1 ENERGY= 411.8 kJ/mol
Energy+ZPE= 394.8 kJ/mol ZPE= 0.0555552
CONNECTIONS:
o EQ4 o EQ11
[ TS67 ] Animation C1 ENERGY= 417.7 kJ/mol
Energy+ZPE= 404.1 kJ/mol ZPE= 0.0568510
CONNECTIONS:
o EQ4 o EQ11
[ TS68 ] Animation C1 ENERGY= 360.9 kJ/mol
Energy+ZPE= 351.3 kJ/mol ZPE= 0.0583711
CONNECTIONS:
o EQ4 o EQ17
[ TS69 ] Animation C1 ENERGY= 472.0 kJ/mol
Energy+ZPE= 463.0 kJ/mol ZPE= 0.0585919
CONNECTIONS:
o EQ4 o EQ17
[ TS70 ] Animation Cs ENERGY= 486.9 kJ/mol
Energy+ZPE= 468.2 kJ/mol ZPE= 0.0548957
CONNECTIONS:
o EQ4 o EQ27
[ TS71 ] Animation C1 ENERGY= 577.4 kJ/mol
Energy+ZPE= 564.3 kJ/mol ZPE= 0.0570506
CONNECTIONS:
o EQ4 o EQ34
[ TS72 ] Animation C1 ENERGY= 593.7 kJ/mol
Energy+ZPE= 575.5 kJ/mol ZPE= 0.0551048
CONNECTIONS:
o EQ4 o EQ35
[ TS73 ] Animation C1 ENERGY= 777.7 kJ/mol
Energy+ZPE= 769.6 kJ/mol ZPE= 0.0589554
CONNECTIONS:
o EQ4 o EQ35
[ TS74 ] Animation C1 ENERGY= 406.2 kJ/mol
Energy+ZPE= 391.2 kJ/mol ZPE= 0.0563342
CONNECTIONS:
o EQ4 o EQ43
[ TS75 ] Animation C1 ENERGY= 479.4 kJ/mol
Energy+ZPE= 464.0 kJ/mol ZPE= 0.0561687
CONNECTIONS:
o EQ4 o EQ56
[ TS76 ] Animation C1 ENERGY= 493.0 kJ/mol
Energy+ZPE= 483.0 kJ/mol ZPE= 0.0582319
CONNECTIONS:
o EQ4 o EQ56
[ TS77 ] Animation C1 ENERGY= 473.1 kJ/mol
Energy+ZPE= 459.0 kJ/mol ZPE= 0.0566534
CONNECTIONS:
o EQ4 o EQ57
[ TS78 ] Animation C1 ENERGY= 805.9 kJ/mol
Energy+ZPE= 795.5 kJ/mol ZPE= 0.0580874
CONNECTIONS:
o EQ4 o EQ76
[ TS79 ] Animation C1 ENERGY= 482.8 kJ/mol
Energy+ZPE= 459.6 kJ/mol ZPE= 0.0531891
CONNECTIONS:
o EQ4 o DDC25
[ TS80 ] Animation C1 ENERGY= 489.9 kJ/mol
Energy+ZPE= 475.0 kJ/mol ZPE= 0.0563682
CONNECTIONS:
o EQ4 o DDC26
[ TS81 ] Animation C1 ENERGY= 492.8 kJ/mol
Energy+ZPE= 468.4 kJ/mol ZPE= 0.0527487
CONNECTIONS:
o EQ4 o DDC27
[ TS82 ] Animation C1 ENERGY= 496.5 kJ/mol
Energy+ZPE= 475.9 kJ/mol ZPE= 0.0542004
CONNECTIONS:
o EQ4 o DDC28
[ TS83 ] Animation C1 ENERGY= 523.6 kJ/mol
Energy+ZPE= 501.7 kJ/mol ZPE= 0.0536863
CONNECTIONS:
o EQ4 o DDC29
[ TS84 ] Animation C1 ENERGY= 535.1 kJ/mol
Energy+ZPE= 512.8 kJ/mol ZPE= 0.0535466
CONNECTIONS:
o EQ4 o DDC30
[ TS85 ] Animation Cs ENERGY= 146.8 kJ/mol
Energy+ZPE= 140.9 kJ/mol ZPE= 0.0597697
CONNECTIONS:
o EQ5 o EQ5
[ TS86 ] Animation C1 ENERGY= 140.7 kJ/mol
Energy+ZPE= 135.5 kJ/mol ZPE= 0.0600511
CONNECTIONS:
o EQ5 o EQ6
[ TS87 ] Animation C1 ENERGY= 478.9 kJ/mol
Energy+ZPE= 461.0 kJ/mol ZPE= 0.0552308
CONNECTIONS:
o EQ5 o EQ11
[ TS88 ] Animation C1 ENERGY= 484.0 kJ/mol
Energy+ZPE= 465.5 kJ/mol ZPE= 0.0549754
CONNECTIONS:
o EQ5 o EQ11
[ TS89 ] Animation C1 ENERGY= 430.9 kJ/mol
Energy+ZPE= 412.6 kJ/mol ZPE= 0.0550495
CONNECTIONS:
o EQ5 o EQ12
[ TS90 ] Animation C1 ENERGY= 435.7 kJ/mol
Energy+ZPE= 416.7 kJ/mol ZPE= 0.0547867
CONNECTIONS:
o EQ5 o EQ13
[ TS91 ] Animation C1 ENERGY= 461.5 kJ/mol
Energy+ZPE= 445.7 kJ/mol ZPE= 0.0560294
CONNECTIONS:
o EQ5 o EQ13
[ TS92 ] Animation C1 ENERGY= 417.2 kJ/mol
Energy+ZPE= 403.0 kJ/mol ZPE= 0.0566301
CONNECTIONS:
o EQ5 o EQ17
[ TS93 ] Animation C1 ENERGY= 453.5 kJ/mol
Energy+ZPE= 443.6 kJ/mol ZPE= 0.0582577
CONNECTIONS:
o EQ5 o EQ17
[ TS94 ] Animation C1 ENERGY= 468.5 kJ/mol
Energy+ZPE= 457.2 kJ/mol ZPE= 0.0577248
CONNECTIONS:
o EQ5 o EQ18
[ TS95 ] Animation C1 ENERGY= 540.7 kJ/mol
Energy+ZPE= 527.1 kJ/mol ZPE= 0.0568359
CONNECTIONS:
o EQ5 o EQ26
[ TS96 ] Animation C1 ENERGY= 513.8 kJ/mol
Energy+ZPE= 498.7 kJ/mol ZPE= 0.0563018
CONNECTIONS:
o EQ5 o EQ30
[ TS97 ] Animation C1 ENERGY= 567.6 kJ/mol
Energy+ZPE= 555.6 kJ/mol ZPE= 0.0574697
CONNECTIONS:
o EQ5 o EQ30
[ TS98 ] Animation C1 ENERGY= 572.2 kJ/mol
Energy+ZPE= 558.9 kJ/mol ZPE= 0.0569874
CONNECTIONS:
o EQ5 o EQ30
[ TS99 ] Animation C1 ENERGY= 537.9 kJ/mol
Energy+ZPE= 516.7 kJ/mol ZPE= 0.0539674
CONNECTIONS:
o EQ5 o EQ39
[ TS100 ] Animation C1 ENERGY= 541.5 kJ/mol
Energy+ZPE= 520.2 kJ/mol ZPE= 0.0539374
CONNECTIONS:
o EQ5 o EQ39
[ TS101 ] Animation C1 ENERGY= 467.4 kJ/mol
Energy+ZPE= 446.7 kJ/mol ZPE= 0.0541345
CONNECTIONS:
o EQ5 o EQ46
[ TS102 ] Animation C1 ENERGY= 645.1 kJ/mol
Energy+ZPE= 615.6 kJ/mol ZPE= 0.0508040
CONNECTIONS:
o EQ5 o EQ46
[ TS103 ] Animation C1 ENERGY= 538.6 kJ/mol
Energy+ZPE= 519.0 kJ/mol ZPE= 0.0545855
CONNECTIONS:
o EQ5 o EQ47
[ TS104 ] Animation C1 ENERGY= 506.5 kJ/mol
Energy+ZPE= 490.6 kJ/mol ZPE= 0.0559628
CONNECTIONS:
o EQ5 o EQ57
[ TS105 ] Animation C1 ENERGY= 495.8 kJ/mol
Energy+ZPE= 479.9 kJ/mol ZPE= 0.0559623
CONNECTIONS:
o EQ5 o EQ62
[ TS106 ] Animation C1 ENERGY= 514.8 kJ/mol
Energy+ZPE= 504.0 kJ/mol ZPE= 0.0579339
CONNECTIONS:
o EQ5 o EQ62
[ TS107 ] Animation Cs ENERGY= 386.1 kJ/mol
Energy+ZPE= 355.0 kJ/mol ZPE= 0.0502013
CONNECTIONS:
o EQ5 o DDC31
[ TS108 ] Animation C1 ENERGY= 485.8 kJ/mol
Energy+ZPE= 463.7 kJ/mol ZPE= 0.0536019
CONNECTIONS:
o EQ5 o DDC32
[ TS109 ] Animation C1 ENERGY= 499.5 kJ/mol
Energy+ZPE= 485.2 kJ/mol ZPE= 0.0565686
CONNECTIONS:
o EQ5 o DDC33
[ TS110 ] Animation C1 ENERGY= 499.8 kJ/mol
Energy+ZPE= 482.6 kJ/mol ZPE= 0.0554872
CONNECTIONS:
o EQ5 o DDC34
[ TS111 ] Animation Cs ENERGY= 502.0 kJ/mol
Energy+ZPE= 472.1 kJ/mol ZPE= 0.0506531
CONNECTIONS:
o EQ5 o DDC35
[ TS112 ] Animation C1 ENERGY= 514.8 kJ/mol
Energy+ZPE= 496.0 kJ/mol ZPE= 0.0548708
CONNECTIONS:
o EQ5 o DDC36
[ TS113 ] Animation C1 ENERGY= 546.7 kJ/mol
Energy+ZPE= 517.3 kJ/mol ZPE= 0.0508257
CONNECTIONS:
o EQ5 o DDC37
[ TS114 ] Animation Cs ENERGY= 434.1 kJ/mol
Energy+ZPE= 417.4 kJ/mol ZPE= 0.0556720
CONNECTIONS:
o EQ6 o EQ6
[ TS115 ] Animation C1 ENERGY= 158.3 kJ/mol
Energy+ZPE= 154.4 kJ/mol ZPE= 0.0605371
CONNECTIONS:
o EQ6 o EQ8
[ TS116 ] Animation C1 ENERGY= 466.2 kJ/mol
Energy+ZPE= 449.7 kJ/mol ZPE= 0.0557448
CONNECTIONS:
o EQ6 o EQ14
[ TS117 ] Animation C1 ENERGY= 426.6 kJ/mol
Energy+ZPE= 412.2 kJ/mol ZPE= 0.0565412
CONNECTIONS:
o EQ6 o EQ18
[ TS118 ] Animation C1 ENERGY= 469.4 kJ/mol
Energy+ZPE= 448.5 kJ/mol ZPE= 0.0540888
CONNECTIONS:
o EQ6 o EQ50
[ TS119 ] Animation C1 ENERGY= 493.5 kJ/mol
Energy+ZPE= 466.8 kJ/mol ZPE= 0.0518752
CONNECTIONS:
o EQ6 o DDC38
[ TS120 ] Animation C1 ENERGY= 500.8 kJ/mol
Energy+ZPE= 472.6 kJ/mol ZPE= 0.0512958
CONNECTIONS:
o EQ6 o DDC39
[ TS121 ] Animation C1 ENERGY= 560.5 kJ/mol
Energy+ZPE= 530.6 kJ/mol ZPE= 0.0506325
CONNECTIONS:
o EQ6 o DDC40
[ TS122 ] Animation Cs ENERGY= 347.0 kJ/mol
Energy+ZPE= 337.3 kJ/mol ZPE= 0.0583496
CONNECTIONS:
o EQ7 o EQ7
[ TS123 ] Animation Cs ENERGY= 374.0 kJ/mol
Energy+ZPE= 363.6 kJ/mol ZPE= 0.0580549
CONNECTIONS:
o EQ7 o EQ7
[ TS124 ] Animation C1 ENERGY= 160.7 kJ/mol
Energy+ZPE= 156.3 kJ/mol ZPE= 0.0603583
CONNECTIONS:
o EQ7 o EQ9
[ TS125 ] Animation C1 ENERGY= 156.9 kJ/mol
Energy+ZPE= 152.0 kJ/mol ZPE= 0.0601714
CONNECTIONS:
o EQ7 o EQ10
[ TS126 ] Animation C1 ENERGY= 546.4 kJ/mol
Energy+ZPE= 536.3 kJ/mol ZPE= 0.0581890
CONNECTIONS:
o EQ7 o EQ29
[ TS127 ] Animation C1 ENERGY= 565.1 kJ/mol
Energy+ZPE= 555.3 kJ/mol ZPE= 0.0582989
CONNECTIONS:
o EQ7 o EQ29
[ TS128 ] Animation C1 ENERGY= 572.5 kJ/mol
Energy+ZPE= 558.8 kJ/mol ZPE= 0.0567987
CONNECTIONS:
o EQ7 o EQ32
[ TS129 ] Animation C1 ENERGY= 761.8 kJ/mol
Energy+ZPE= 730.5 kJ/mol ZPE= 0.0501065
CONNECTIONS:
o EQ7 o EQ35
[ TS130 ] Animation C1 ENERGY= 516.7 kJ/mol
Energy+ZPE= 502.2 kJ/mol ZPE= 0.0565232
CONNECTIONS:
o EQ7 o EQ54
[ TS131 ] Animation C1 ENERGY= 525.4 kJ/mol
Energy+ZPE= 511.8 kJ/mol ZPE= 0.0568633
CONNECTIONS:
o EQ7 o EQ60
[ TS132 ] Animation C1 ENERGY= 524.9 kJ/mol
Energy+ZPE= 511.0 kJ/mol ZPE= 0.0567472
CONNECTIONS:
o EQ7 o EQ63
[ TS133 ] Animation C1 ENERGY= 528.9 kJ/mol
Energy+ZPE= 515.6 kJ/mol ZPE= 0.0569687
CONNECTIONS:
o EQ7 o EQ64
[ TS134 ] Animation C1 ENERGY= 546.7 kJ/mol
Energy+ZPE= 531.1 kJ/mol ZPE= 0.0560937
CONNECTIONS:
o EQ7 o EQ65
[ TS135 ] Animation C1 ENERGY= 537.9 kJ/mol
Energy+ZPE= 523.8 kJ/mol ZPE= 0.0566789
CONNECTIONS:
o EQ7 o EQ69
[ TS136 ] Animation C1 ENERGY= 330.9 kJ/mol
Energy+ZPE= 313.1 kJ/mol ZPE= 0.0552596
CONNECTIONS:
o EQ7 o DDC41
[ TS137 ] Animation C1 ENERGY= 531.0 kJ/mol
Energy+ZPE= 507.5 kJ/mol ZPE= 0.0530992
CONNECTIONS:
o EQ7 o DDC42
[ TS138 ] Animation C1 ENERGY= 534.0 kJ/mol
Energy+ZPE= 512.6 kJ/mol ZPE= 0.0538785
CONNECTIONS:
o EQ7 o DDC43
[ TS139 ] Animation C1 ENERGY= 468.0 kJ/mol
Energy+ZPE= 447.9 kJ/mol ZPE= 0.0543718
CONNECTIONS:
o EQ8 o EQ11
[ TS140 ] Animation C1 ENERGY= 441.4 kJ/mol
Energy+ZPE= 430.1 kJ/mol ZPE= 0.0577212
CONNECTIONS:
o EQ8 o EQ18
[ TS141 ] Animation Cs ENERGY= 510.4 kJ/mol
Energy+ZPE= 490.7 kJ/mol ZPE= 0.0545408
CONNECTIONS:
o EQ8 o EQ31
[ TS142 ] Animation C1 ENERGY= 560.3 kJ/mol
Energy+ZPE= 545.3 kJ/mol ZPE= 0.0563274
CONNECTIONS:
o EQ8 o EQ35
[ TS143 ] Animation Cs ENERGY= 472.1 kJ/mol
Energy+ZPE= 444.2 kJ/mol ZPE= 0.0514221
CONNECTIONS:
o EQ8 o DDC44
[ TS144 ] Animation C1 ENERGY= 472.6 kJ/mol
Energy+ZPE= 443.3 kJ/mol ZPE= 0.0508654
CONNECTIONS:
o EQ8 o DDC45
[ TS145 ] Animation C1 ENERGY= 494.4 kJ/mol
Energy+ZPE= 467.5 kJ/mol ZPE= 0.0517847
CONNECTIONS:
o EQ8 o DDC46
[ TS146 ] Animation C1 ENERGY= 567.6 kJ/mol
Energy+ZPE= 537.5 kJ/mol ZPE= 0.0505605
CONNECTIONS:
o EQ8 o DDC47
[ TS147 ] Animation Cs ENERGY= 339.5 kJ/mol
Energy+ZPE= 331.6 kJ/mol ZPE= 0.0590414
CONNECTIONS:
o EQ9 o EQ9
[ TS148 ] Animation C1 ENERGY= 577.9 kJ/mol
Energy+ZPE= 565.9 kJ/mol ZPE= 0.0574824
CONNECTIONS:
o EQ9 o EQ32
[ TS149 ] Animation C1 ENERGY= 532.5 kJ/mol
Energy+ZPE= 516.5 kJ/mol ZPE= 0.0559408
CONNECTIONS:
o EQ9 o EQ58
[ TS150 ] Animation Cs ENERGY= 420.2 kJ/mol
Energy+ZPE= 405.8 kJ/mol ZPE= 0.0565587
CONNECTIONS:
o EQ10 o EQ10
[ TS151 ] Animation C1 ENERGY= 544.8 kJ/mol
Energy+ZPE= 534.7 kJ/mol ZPE= 0.0582036
CONNECTIONS:
o EQ10 o EQ29
[ TS152 ] Animation C1 ENERGY= 560.3 kJ/mol
Energy+ZPE= 547.6 kJ/mol ZPE= 0.0571966
CONNECTIONS:
o EQ10 o EQ32
[ TS153 ] Animation C1 ENERGY= 526.0 kJ/mol
Energy+ZPE= 513.0 kJ/mol ZPE= 0.0570806
CONNECTIONS:
o EQ10 o EQ59
[ TS154 ] Animation C1 ENERGY= 534.6 kJ/mol
Energy+ZPE= 520.7 kJ/mol ZPE= 0.0567537
CONNECTIONS:
o EQ10 o EQ60
[ TS155 ] Animation C1 ENERGY= 521.8 kJ/mol
Energy+ZPE= 499.0 kJ/mol ZPE= 0.0533553
CONNECTIONS:
o EQ10 o DDC48
[ TS156 ] Animation Cs ENERGY= 176.6 kJ/mol
Energy+ZPE= 173.9 kJ/mol ZPE= 0.0609995
CONNECTIONS:
o EQ11 o EQ11
[ TS157 ] Animation C2 ENERGY= 184.8 kJ/mol
Energy+ZPE= 181.8 kJ/mol ZPE= 0.0608881
CONNECTIONS:
o EQ11 o EQ11
[ TS158 ] Animation C1 ENERGY= 373.8 kJ/mol
Energy+ZPE= 367.3 kJ/mol ZPE= 0.0595481
CONNECTIONS:
o EQ11 o EQ11
[ TS159 ] Animation C1 ENERGY= 551.0 kJ/mol
Energy+ZPE= 540.0 kJ/mol ZPE= 0.0578343
CONNECTIONS:
o EQ11 o EQ12
[ TS160 ] Animation C1 ENERGY= 524.6 kJ/mol
Energy+ZPE= 515.8 kJ/mol ZPE= 0.0586763
CONNECTIONS:
o EQ11 o EQ13
[ TS161 ] Animation C1 ENERGY= 200.6 kJ/mol
Energy+ZPE= 195.9 kJ/mol ZPE= 0.0602578
CONNECTIONS:
o EQ11 o EQ16
[ TS162 ] Animation C1 ENERGY= 442.0 kJ/mol
Energy+ZPE= 427.9 kJ/mol ZPE= 0.0566671
CONNECTIONS:
o EQ11 o EQ26
[ TS163 ] Animation C1 ENERGY= 413.1 kJ/mol
Energy+ZPE= 401.5 kJ/mol ZPE= 0.0576285
CONNECTIONS:
o EQ11 o EQ27
[ TS164 ] Animation C1 ENERGY= 518.0 kJ/mol
Energy+ZPE= 506.7 kJ/mol ZPE= 0.0577140
CONNECTIONS:
o EQ11 o EQ46
[ TS165 ] Animation C1 ENERGY= 518.1 kJ/mol
Energy+ZPE= 504.7 kJ/mol ZPE= 0.0569278
CONNECTIONS:
o EQ11 o EQ46
[ TS166 ] Animation C1 ENERGY= 518.2 kJ/mol
Energy+ZPE= 506.1 kJ/mol ZPE= 0.0574267
CONNECTIONS:
o EQ11 o EQ50
[ TS167 ] Animation C1 ENERGY= 483.5 kJ/mol
Energy+ZPE= 475.8 kJ/mol ZPE= 0.0590966
CONNECTIONS:
o EQ11 o EQ54
[ TS168 ] Animation C1 ENERGY= 494.4 kJ/mol
Energy+ZPE= 485.2 kJ/mol ZPE= 0.0585159
CONNECTIONS:
o EQ11 o EQ58
[ TS169 ] Animation C1 ENERGY= 515.0 kJ/mol
Energy+ZPE= 507.0 kJ/mol ZPE= 0.0589986
CONNECTIONS:
o EQ11 o EQ59
[ TS170 ] Animation C1 ENERGY= 552.2 kJ/mol
Energy+ZPE= 541.2 kJ/mol ZPE= 0.0578259
CONNECTIONS:
o EQ11 o EQ64
[ TS171 ] Animation C1 ENERGY= 555.1 kJ/mol
Energy+ZPE= 532.4 kJ/mol ZPE= 0.0534041
CONNECTIONS:
o EQ11 o EQ68
[ TS172 ] Animation C1 ENERGY= 538.6 kJ/mol
Energy+ZPE= 528.5 kJ/mol ZPE= 0.0581821
CONNECTIONS:
o EQ11 o EQ69
[ TS173 ] Animation C1 ENERGY= 439.5 kJ/mol
Energy+ZPE= 416.6 kJ/mol ZPE= 0.0533091
CONNECTIONS:
o EQ11 o DDC49
[ TS174 ] Animation Cs ENERGY= 442.7 kJ/mol
Energy+ZPE= 413.8 kJ/mol ZPE= 0.0510404
CONNECTIONS:
o EQ11 o DDC50
[ TS175 ] Animation C1 ENERGY= 524.4 kJ/mol
Energy+ZPE= 504.2 kJ/mol ZPE= 0.0543560
CONNECTIONS:
o EQ11 o DDC51
[ TS176 ] Animation C1 ENERGY= 618.3 kJ/mol
Energy+ZPE= 589.2 kJ/mol ZPE= 0.0509497
CONNECTIONS:
o EQ11 o DDC52
[ TS177 ] Animation C1 ENERGY= 196.0 kJ/mol
Energy+ZPE= 191.7 kJ/mol ZPE= 0.0604125
CONNECTIONS:
o EQ12 o EQ13
[ TS178 ] Animation C1 ENERGY= 455.7 kJ/mol
Energy+ZPE= 440.2 kJ/mol ZPE= 0.0561134
CONNECTIONS:
o EQ12 o EQ32
[ TS179 ] Animation C1 ENERGY= 474.3 kJ/mol
Energy+ZPE= 468.4 kJ/mol ZPE= 0.0597713
CONNECTIONS:
o EQ12 o EQ54
[ TS180 ] Animation C1 ENERGY= 511.8 kJ/mol
Energy+ZPE= 504.1 kJ/mol ZPE= 0.0590915
CONNECTIONS:
o EQ12 o EQ65
[ TS181 ] Animation C1 ENERGY= 519.2 kJ/mol
Energy+ZPE= 491.4 kJ/mol ZPE= 0.0514339
CONNECTIONS:
o EQ12 o DDC53
[ TS182 ] Animation C2 ENERGY= 634.2 kJ/mol
Energy+ZPE= 604.2 kJ/mol ZPE= 0.0506186
CONNECTIONS:
o EQ12 o DDC54
[ TS183 ] Animation Cs ENERGY= 194.8 kJ/mol
Energy+ZPE= 190.9 kJ/mol ZPE= 0.0605434
CONNECTIONS:
o EQ13 o EQ13
[ TS184 ] Animation C1 ENERGY= 202.8 kJ/mol
Energy+ZPE= 197.3 kJ/mol ZPE= 0.0599404
CONNECTIONS:
o EQ13 o EQ14
[ TS185 ] Animation C1 ENERGY= 437.7 kJ/mol
Energy+ZPE= 424.3 kJ/mol ZPE= 0.0569211
CONNECTIONS:
o EQ13 o EQ29
[ TS186 ] Animation C1 ENERGY= 479.5 kJ/mol
Energy+ZPE= 463.0 kJ/mol ZPE= 0.0557556
CONNECTIONS:
o EQ13 o EQ36
[ TS187 ] Animation C1 ENERGY= 488.2 kJ/mol
Energy+ZPE= 480.4 kJ/mol ZPE= 0.0590690
CONNECTIONS:
o EQ13 o EQ58
[ TS188 ] Animation C1 ENERGY= 507.0 kJ/mol
Energy+ZPE= 500.4 kJ/mol ZPE= 0.0595118
CONNECTIONS:
o EQ13 o EQ59
[ TS189 ] Animation C1 ENERGY= 491.0 kJ/mol
Energy+ZPE= 484.3 kJ/mol ZPE= 0.0595003
CONNECTIONS:
o EQ13 o EQ60
[ TS190 ] Animation C1 ENERGY= 515.7 kJ/mol
Energy+ZPE= 508.0 kJ/mol ZPE= 0.0590885
CONNECTIONS:
o EQ13 o EQ64
[ TS191 ] Animation C1 ENERGY= 545.6 kJ/mol
Energy+ZPE= 523.9 kJ/mol ZPE= 0.0537672
CONNECTIONS:
o EQ13 o EQ70
[ TS192 ] Animation C1 ENERGY= 506.0 kJ/mol
Energy+ZPE= 479.6 kJ/mol ZPE= 0.0519609
CONNECTIONS:
o EQ13 o DDC55
[ TS193 ] Animation C1 ENERGY= 542.5 kJ/mol
Energy+ZPE= 526.4 kJ/mol ZPE= 0.0559130
CONNECTIONS:
o EQ13 o DDC56
[ TS194 ] Animation C1 ENERGY= 762.2 kJ/mol
Energy+ZPE= 725.0 kJ/mol ZPE= 0.0478719
CONNECTIONS:
o EQ13 o DDC57
[ TS195 ] Animation C1 ENERGY= 763.6 kJ/mol
Energy+ZPE= 751.1 kJ/mol ZPE= 0.0572628
CONNECTIONS:
o EQ13 o DDC58
[ TS196 ] Animation C1 ENERGY= 196.5 kJ/mol
Energy+ZPE= 191.7 kJ/mol ZPE= 0.0602220
CONNECTIONS:
o EQ14 o EQ15
[ TS197 ] Animation C1 ENERGY= 460.6 kJ/mol
Energy+ZPE= 446.5 kJ/mol ZPE= 0.0566659
CONNECTIONS:
o EQ14 o EQ33
[ TS198 ] Animation C1 ENERGY= 504.1 kJ/mol
Energy+ZPE= 496.9 kJ/mol ZPE= 0.0592935
CONNECTIONS:
o EQ14 o EQ63
[ TS199 ] Animation C1 ENERGY= 526.4 kJ/mol
Energy+ZPE= 517.5 kJ/mol ZPE= 0.0586312
CONNECTIONS:
o EQ14 o EQ69
[ TS200 ] Animation C1 ENERGY= 560.8 kJ/mol
Energy+ZPE= 537.2 kJ/mol ZPE= 0.0530428
CONNECTIONS:
o EQ14 o EQ73
[ TS201 ] Animation C1 ENERGY= 855.2 kJ/mol
Energy+ZPE= 830.3 kJ/mol ZPE= 0.0525361
CONNECTIONS:
o EQ14 o EQ104
[ TS202 ] Animation C1 ENERGY= 855.9 kJ/mol
Energy+ZPE= 830.9 kJ/mol ZPE= 0.0525229
CONNECTIONS:
o EQ14 o EQ106
[ TS203 ] Animation C1 ENERGY= 532.2 kJ/mol
Energy+ZPE= 517.7 kJ/mol ZPE= 0.0565236
CONNECTIONS:
o EQ14 o DDC59
[ TS204 ] Animation C1 ENERGY= 642.6 kJ/mol
Energy+ZPE= 608.7 kJ/mol ZPE= 0.0491159
CONNECTIONS:
o EQ14 o DDC60
[ TS205 ] Animation C2h ENERGY= 704.0 kJ/mol
Energy+ZPE= 683.2 kJ/mol ZPE= 0.0541199
CONNECTIONS:
o EQ15 o EQ15
[ TS206 ] Animation C1 ENERGY= 438.5 kJ/mol
Energy+ZPE= 425.7 kJ/mol ZPE= 0.0571650
CONNECTIONS:
o EQ16 o EQ31
[ TS207 ] Animation C1 ENERGY= 546.6 kJ/mol
Energy+ZPE= 536.6 kJ/mol ZPE= 0.0582077
CONNECTIONS:
o EQ16 o EQ63
[ TS208 ] Animation C1 ENERGY= 713.5 kJ/mol
Energy+ZPE= 690.3 kJ/mol ZPE= 0.0531863
CONNECTIONS:
o EQ16 o DDC61
[ TS209 ] Animation C1 ENERGY= 204.2 kJ/mol
Energy+ZPE= 202.4 kJ/mol ZPE= 0.0613654
CONNECTIONS:
o EQ17 o EQ18
[ TS210 ] Animation C1 ENERGY= 213.5 kJ/mol
Energy+ZPE= 211.7 kJ/mol ZPE= 0.0613343
CONNECTIONS:
o EQ17 o EQ18
[ TS211 ] Animation C1 ENERGY= 464.5 kJ/mol
Energy+ZPE= 448.3 kJ/mol ZPE= 0.0558599
CONNECTIONS:
o EQ17 o EQ20
[ TS212 ] Animation C1 ENERGY= 546.5 kJ/mol
Energy+ZPE= 530.6 kJ/mol ZPE= 0.0559813
CONNECTIONS:
o EQ17 o EQ30
[ TS213 ] Animation C1 ENERGY= 457.2 kJ/mol
Energy+ZPE= 442.6 kJ/mol ZPE= 0.0564834
CONNECTIONS:
o EQ17 o EQ32
[ TS214 ] Animation C1 ENERGY= 546.8 kJ/mol
Energy+ZPE= 532.1 kJ/mol ZPE= 0.0564164
CONNECTIONS:
o EQ17 o EQ41
[ TS215 ] Animation C1 ENERGY= 444.8 kJ/mol
Energy+ZPE= 433.9 kJ/mol ZPE= 0.0578776
CONNECTIONS:
o EQ17 o EQ44
[ TS216 ] Animation C1 ENERGY= 446.1 kJ/mol
Energy+ZPE= 436.4 kJ/mol ZPE= 0.0583420
CONNECTIONS:
o EQ17 o EQ44
[ TS217 ] Animation C1 ENERGY= 500.3 kJ/mol
Energy+ZPE= 485.2 kJ/mol ZPE= 0.0562993
CONNECTIONS:
o EQ17 o EQ54
[ TS218 ] Animation C1 ENERGY= 524.5 kJ/mol
Energy+ZPE= 508.4 kJ/mol ZPE= 0.0558995
CONNECTIONS:
o EQ17 o EQ60
[ TS219 ] Animation C1 ENERGY= 445.8 kJ/mol
Energy+ZPE= 421.5 kJ/mol ZPE= 0.0527615
CONNECTIONS:
o EQ17 o DDC62
[ TS220 ] Animation C1 ENERGY= 597.9 kJ/mol
Energy+ZPE= 570.0 kJ/mol ZPE= 0.0514200
CONNECTIONS:
o EQ17 o DDC63
[ TS221 ] Animation C1 ENERGY= 466.4 kJ/mol
Energy+ZPE= 451.2 kJ/mol ZPE= 0.0562376
CONNECTIONS:
o EQ18 o EQ22
[ TS222 ] Animation C1 ENERGY= 446.7 kJ/mol
Energy+ZPE= 433.7 kJ/mol ZPE= 0.0570751
CONNECTIONS:
o EQ18 o EQ29
[ TS223 ] Animation C1 ENERGY= 502.6 kJ/mol
Energy+ZPE= 485.1 kJ/mol ZPE= 0.0553848
CONNECTIONS:
o EQ18 o EQ40
[ TS224 ] Animation C1 ENERGY= 454.6 kJ/mol
Energy+ZPE= 444.2 kJ/mol ZPE= 0.0580904
CONNECTIONS:
o EQ18 o EQ44
[ TS225 ] Animation C1 ENERGY= 511.7 kJ/mol
Energy+ZPE= 496.2 kJ/mol ZPE= 0.0561344
CONNECTIONS:
o EQ18 o EQ59
[ TS226 ] Animation C1 ENERGY= 526.8 kJ/mol
Energy+ZPE= 510.8 kJ/mol ZPE= 0.0559255
CONNECTIONS:
o EQ18 o EQ63
[ TS227 ] Animation C1 ENERGY= 815.8 kJ/mol
Energy+ZPE= 805.4 kJ/mol ZPE= 0.0580611
CONNECTIONS:
o EQ18 o EQ76
[ TS228 ] Animation C1 ENERGY= 794.8 kJ/mol
Energy+ZPE= 781.3 kJ/mol ZPE= 0.0568850
CONNECTIONS:
o EQ18 o EQ96
[ TS229 ] Animation C1 ENERGY= 456.1 kJ/mol
Energy+ZPE= 436.3 kJ/mol ZPE= 0.0544770
CONNECTIONS:
o EQ18 o DDC64
[ TS230 ] Animation C1 ENERGY= 515.3 kJ/mol
Energy+ZPE= 496.7 kJ/mol ZPE= 0.0549570
CONNECTIONS:
o EQ18 o DDC65
[ TS231 ] Animation C1 ENERGY= 520.9 kJ/mol
Energy+ZPE= 502.2 kJ/mol ZPE= 0.0549230
CONNECTIONS:
o EQ18 o DDC66
[ TS232 ] Animation C1 ENERGY= 553.2 kJ/mol
Energy+ZPE= 534.0 kJ/mol ZPE= 0.0547326
CONNECTIONS:
o EQ18 o DDC67
[ TS233 ] Animation C1 ENERGY= 566.7 kJ/mol
Energy+ZPE= 546.4 kJ/mol ZPE= 0.0542974
CONNECTIONS:
o EQ18 o DDC68
[ TS234 ] Animation C2 ENERGY= 382.3 kJ/mol
Energy+ZPE= 374.2 kJ/mol ZPE= 0.0589577
CONNECTIONS:
o EQ19 o DDC69
[ TS235 ] Animation C1 ENERGY= 399.4 kJ/mol
Energy+ZPE= 391.1 kJ/mol ZPE= 0.0588765
CONNECTIONS:
o EQ19 o DDC70
[ TS236 ] Animation Cs ENERGY= 572.0 kJ/mol
Energy+ZPE= 550.0 kJ/mol ZPE= 0.0536483
CONNECTIONS:
o EQ19 o DDC71
[ TS237 ] Animation Cs ENERGY= 251.5 kJ/mol
Energy+ZPE= 247.8 kJ/mol ZPE= 0.0606288
CONNECTIONS:
o EQ20 o EQ20
[ TS238 ] Animation C1 ENERGY= 324.8 kJ/mol
Energy+ZPE= 316.6 kJ/mol ZPE= 0.0589145
CONNECTIONS:
o EQ20 o EQ21
[ TS239 ] Animation C1 ENERGY= 327.9 kJ/mol
Energy+ZPE= 321.0 kJ/mol ZPE= 0.0594194
CONNECTIONS:
o EQ20 o EQ23
[ TS240 ] Animation Cs ENERGY= 490.1 kJ/mol
Energy+ZPE= 471.5 kJ/mol ZPE= 0.0549342
CONNECTIONS:
o EQ20 o EQ49
[ TS241 ] Animation C1 ENERGY= 395.7 kJ/mol
Energy+ZPE= 376.1 kJ/mol ZPE= 0.0545871
CONNECTIONS:
o EQ20 o DDC72
[ TS242 ] Animation C1 ENERGY= 679.5 kJ/mol
Energy+ZPE= 656.7 kJ/mol ZPE= 0.0533514
CONNECTIONS:
o EQ20 o DDC73
[ TS243 ] Animation C1 ENERGY= 681.6 kJ/mol
Energy+ZPE= 648.4 kJ/mol ZPE= 0.0493929
CONNECTIONS:
o EQ20 o DDC74
[ TS244 ] Animation C1 ENERGY= 687.0 kJ/mol
Energy+ZPE= 653.6 kJ/mol ZPE= 0.0493051
CONNECTIONS:
o EQ20 o DDC75
[ TS245 ] Animation Cs ENERGY= 255.8 kJ/mol
Energy+ZPE= 253.7 kJ/mol ZPE= 0.0612431
CONNECTIONS:
o EQ21 o EQ21
[ TS246 ] Animation C1 ENERGY= 324.9 kJ/mol
Energy+ZPE= 320.3 kJ/mol ZPE= 0.0602738
CONNECTIONS:
o EQ21 o EQ22
[ TS247 ] Animation C1 ENERGY= 493.7 kJ/mol
Energy+ZPE= 476.0 kJ/mol ZPE= 0.0552776
CONNECTIONS:
o EQ21 o EQ53
[ TS248 ] Animation C1 ENERGY= 680.1 kJ/mol
Energy+ZPE= 658.9 kJ/mol ZPE= 0.0539572
CONNECTIONS:
o EQ21 o EQ81
[ TS249 ] Animation C1 ENERGY= 851.7 kJ/mol
Energy+ZPE= 819.4 kJ/mol ZPE= 0.0497365
CONNECTIONS:
o EQ21 o EQ85
[ TS250 ] Animation Cs ENERGY= 971.7 kJ/mol
Energy+ZPE= 952.3 kJ/mol ZPE= 0.0546305
CONNECTIONS:
o EQ21 o EQ102
[ TS251 ] Animation C1 ENERGY= 688.7 kJ/mol
Energy+ZPE= 657.1 kJ/mol ZPE= 0.0499828
CONNECTIONS:
o EQ21 o DDC76
[ TS252 ] Animation Cs ENERGY= 261.6 kJ/mol
Energy+ZPE= 259.1 kJ/mol ZPE= 0.0610681
CONNECTIONS:
o EQ22 o EQ22
[ TS253 ] Animation C1 ENERGY= 334.0 kJ/mol
Energy+ZPE= 324.7 kJ/mol ZPE= 0.0585001
CONNECTIONS:
o EQ22 o EQ23
[ TS254 ] Animation C1 ENERGY= 680.2 kJ/mol
Energy+ZPE= 656.7 kJ/mol ZPE= 0.0530853
CONNECTIONS:
o EQ22 o EQ27
[ TS255 ] Animation C1 ENERGY= 569.3 kJ/mol
Energy+ZPE= 545.6 kJ/mol ZPE= 0.0529974
CONNECTIONS:
o EQ22 o EQ75
[ TS256 ] Animation Cs ENERGY= 453.8 kJ/mol
Energy+ZPE= 436.0 kJ/mol ZPE= 0.0552415
CONNECTIONS:
o EQ22 o DDC77
[ TS257 ] Animation C1 ENERGY= 704.0 kJ/mol
Energy+ZPE= 671.5 kJ/mol ZPE= 0.0496579
CONNECTIONS:
o EQ22 o DDC78
[ TS258 ] Animation C1 ENERGY= 708.9 kJ/mol
Energy+ZPE= 675.7 kJ/mol ZPE= 0.0493698
CONNECTIONS:
o EQ22 o DDC79
[ TS259 ] Animation Cs ENERGY= 294.7 kJ/mol
Energy+ZPE= 288.3 kJ/mol ZPE= 0.0596024
CONNECTIONS:
o EQ23 o EQ23
[ TS260 ] Animation C1 ENERGY= 713.1 kJ/mol
Energy+ZPE= 689.8 kJ/mol ZPE= 0.0531566
CONNECTIONS:
o EQ23 o EQ32
[ TS261 ] Animation C1 ENERGY= 700.4 kJ/mol
Energy+ZPE= 676.9 kJ/mol ZPE= 0.0530816
CONNECTIONS:
o EQ23 o EQ86
[ TS262 ] Animation C1 ENERGY= 388.7 kJ/mol
Energy+ZPE= 369.7 kJ/mol ZPE= 0.0548020
CONNECTIONS:
o EQ23 o DDC80
[ TS263 ] Animation Cs ENERGY= 458.7 kJ/mol
Energy+ZPE= 430.8 kJ/mol ZPE= 0.0514138
CONNECTIONS:
o EQ23 o DDC81
[ TS264 ] Animation C1 ENERGY= 679.0 kJ/mol
Energy+ZPE= 645.3 kJ/mol ZPE= 0.0491905
CONNECTIONS:
o EQ23 o DDC82
[ TS265 ] Animation C1 ENERGY= 319.1 kJ/mol
Energy+ZPE= 304.2 kJ/mol ZPE= 0.0563570
CONNECTIONS:
o EQ24 o EQ24
[ TS266 ] Animation C1 ENERGY= 325.5 kJ/mol
Energy+ZPE= 307.3 kJ/mol ZPE= 0.0551059
CONNECTIONS:
o EQ24 o EQ24
[ TS267 ] Animation C1 ENERGY= 402.1 kJ/mol
Energy+ZPE= 377.6 kJ/mol ZPE= 0.0526955
CONNECTIONS:
o EQ24 o DDC83
[ TS268 ] Animation C1 ENERGY= 521.5 kJ/mol
Energy+ZPE= 497.3 kJ/mol ZPE= 0.0528115
CONNECTIONS:
o EQ24 o DDC84
[ TS269 ] Animation C1 ENERGY= 639.2 kJ/mol
Energy+ZPE= 618.1 kJ/mol ZPE= 0.0539882
CONNECTIONS:
o EQ24 o DDC85
[ TS270 ] Animation C1 ENERGY= 795.4 kJ/mol
Energy+ZPE= 749.1 kJ/mol ZPE= 0.0443925
CONNECTIONS:
o EQ24 o DDC86
[ TS271 ] Animation Cs ENERGY= 353.6 kJ/mol
Energy+ZPE= 347.9 kJ/mol ZPE= 0.0598443
CONNECTIONS:
o EQ26 o EQ26
[ TS272 ] Animation Cs ENERGY= 394.8 kJ/mol
Energy+ZPE= 384.7 kJ/mol ZPE= 0.0581971
CONNECTIONS:
o EQ26 o EQ26
[ TS273 ] Animation C1 ENERGY= 466.4 kJ/mol
Energy+ZPE= 452.9 kJ/mol ZPE= 0.0568988
CONNECTIONS:
o EQ26 o EQ27
[ TS274 ] Animation C1 ENERGY= 483.2 kJ/mol
Energy+ZPE= 468.6 kJ/mol ZPE= 0.0564620
CONNECTIONS:
o EQ26 o EQ31
[ TS275 ] Animation C1 ENERGY= 392.5 kJ/mol
Energy+ZPE= 386.5 kJ/mol ZPE= 0.0597625
CONNECTIONS:
o EQ26 o EQ32
[ TS276 ] Animation C1 ENERGY= 446.3 kJ/mol
Energy+ZPE= 429.6 kJ/mol ZPE= 0.0556802
CONNECTIONS:
o EQ26 o DDC87
[ TS277 ] Animation C1 ENERGY= 386.5 kJ/mol
Energy+ZPE= 382.9 kJ/mol ZPE= 0.0606620
CONNECTIONS:
o EQ27 o EQ29
[ TS278 ] Animation C1 ENERGY= 391.7 kJ/mol
Energy+ZPE= 387.3 kJ/mol ZPE= 0.0603769
CONNECTIONS:
o EQ27 o EQ29
[ TS279 ] Animation C1 ENERGY= 375.2 kJ/mol
Energy+ZPE= 369.4 kJ/mol ZPE= 0.0598084
CONNECTIONS:
o EQ27 o EQ31
[ TS280 ] Animation C1 ENERGY= 762.8 kJ/mol
Energy+ZPE= 741.7 kJ/mol ZPE= 0.0539988
CONNECTIONS:
o EQ27 o EQ32
[ TS281 ] Animation C1 ENERGY= 670.5 kJ/mol
Energy+ZPE= 654.4 kJ/mol ZPE= 0.0559192
CONNECTIONS:
o EQ27 o EQ82
[ TS282 ] Animation C1 ENERGY= 684.7 kJ/mol
Energy+ZPE= 665.4 kJ/mol ZPE= 0.0546692
CONNECTIONS:
o EQ27 o EQ82
[ TS283 ] Animation C1 ENERGY= 561.3 kJ/mol
Energy+ZPE= 544.8 kJ/mol ZPE= 0.0557489
CONNECTIONS:
o EQ27 o DDC88
[ TS284 ] Animation C1 ENERGY= 581.6 kJ/mol
Energy+ZPE= 561.7 kJ/mol ZPE= 0.0544569
CONNECTIONS:
o EQ27 o DDC89
[ TS285 ] Animation C1 ENERGY= 704.4 kJ/mol
Energy+ZPE= 681.2 kJ/mol ZPE= 0.0531948
CONNECTIONS:
o EQ27 o DDC90
[ TS286 ] Animation C1 ENERGY= 716.1 kJ/mol
Energy+ZPE= 691.1 kJ/mol ZPE= 0.0525228
CONNECTIONS:
o EQ27 o DDC91
[ TS287 ] Animation Cs ENERGY= 373.0 kJ/mol
Energy+ZPE= 368.9 kJ/mol ZPE= 0.0604619
CONNECTIONS:
o EQ28 o EQ28
[ TS288 ] Animation C1 ENERGY= 554.5 kJ/mol
Energy+ZPE= 544.8 kJ/mol ZPE= 0.0583394
CONNECTIONS:
o EQ28 o EQ51
[ TS289 ] Animation C1 ENERGY= 539.1 kJ/mol
Energy+ZPE= 528.4 kJ/mol ZPE= 0.0579720
CONNECTIONS:
o EQ28 o EQ55
[ TS290 ] Animation C1 ENERGY= 784.2 kJ/mol
Energy+ZPE= 765.4 kJ/mol ZPE= 0.0548873
CONNECTIONS:
o EQ28 o EQ77
[ TS291 ] Animation C1 ENERGY= 711.9 kJ/mol
Energy+ZPE= 689.3 kJ/mol ZPE= 0.0534419
CONNECTIONS:
o EQ28 o EQ84
[ TS292 ] Animation C1 ENERGY= 843.4 kJ/mol
Energy+ZPE= 827.9 kJ/mol ZPE= 0.0561472
CONNECTIONS:
o EQ28 o EQ89
[ TS293 ] Animation C1 ENERGY= 550.3 kJ/mol
Energy+ZPE= 535.0 kJ/mol ZPE= 0.0562255
CONNECTIONS:
o EQ28 o DDC92
[ TS294 ] Animation C1 ENERGY= 870.9 kJ/mol
Energy+ZPE= 827.5 kJ/mol ZPE= 0.0454852
CONNECTIONS:
o EQ28 o DDC93
[ TS295 ] Animation C1 ENERGY= 871.2 kJ/mol
Energy+ZPE= 843.4 kJ/mol ZPE= 0.0514410
CONNECTIONS:
o EQ28 o DDC94
[ TS296 ] Animation C1 ENERGY= 473.5 kJ/mol
Energy+ZPE= 458.1 kJ/mol ZPE= 0.0561634
CONNECTIONS:
o EQ29 o EQ32
[ TS297 ] Animation C1 ENERGY= 487.4 kJ/mol
Energy+ZPE= 476.3 kJ/mol ZPE= 0.0578096
CONNECTIONS:
o EQ29 o EQ32
[ TS298 ] Animation C1 ENERGY= 747.5 kJ/mol
Energy+ZPE= 727.2 kJ/mol ZPE= 0.0542880
CONNECTIONS:
o EQ29 o EQ32
[ TS299 ] Animation C1 ENERGY= 382.5 kJ/mol
Energy+ZPE= 375.3 kJ/mol ZPE= 0.0592945
CONNECTIONS:
o EQ29 o EQ33
[ TS300 ] Animation C1 ENERGY= 747.0 kJ/mol
Energy+ZPE= 732.2 kJ/mol ZPE= 0.0564048
CONNECTIONS:
o EQ29 o EQ63
[ TS301 ] Animation C1 ENERGY= 771.1 kJ/mol
Energy+ZPE= 753.7 kJ/mol ZPE= 0.0554118
CONNECTIONS:
o EQ29 o EQ64
[ TS302 ] Animation C1 ENERGY= 677.3 kJ/mol
Energy+ZPE= 662.9 kJ/mol ZPE= 0.0565665
CONNECTIONS:
o EQ29 o EQ81
[ TS303 ] Animation C1 ENERGY= 685.1 kJ/mol
Energy+ZPE= 668.2 kJ/mol ZPE= 0.0555855
CONNECTIONS:
o EQ29 o EQ81
[ TS304 ] Animation C1 ENERGY= 613.2 kJ/mol
Energy+ZPE= 591.7 kJ/mol ZPE= 0.0538629
CONNECTIONS:
o EQ29 o DDC95
[ TS305 ] Animation C1 ENERGY= 641.3 kJ/mol
Energy+ZPE= 611.5 kJ/mol ZPE= 0.0506881
CONNECTIONS:
o EQ29 o DDC96
[ TS306 ] Animation C1 ENERGY= 713.9 kJ/mol
Energy+ZPE= 689.8 kJ/mol ZPE= 0.0528361
CONNECTIONS:
o EQ29 o DDC97
[ TS307 ] Animation C1 ENERGY= 750.3 kJ/mol
Energy+ZPE= 720.4 kJ/mol ZPE= 0.0506570
CONNECTIONS:
o EQ29 o DDC98
[ TS308 ] Animation C1 ENERGY= 784.2 kJ/mol
Energy+ZPE= 760.1 kJ/mol ZPE= 0.0528678
CONNECTIONS:
o EQ29 o DDC99
[ TS309 ] Animation C1 ENERGY= 390.7 kJ/mol
Energy+ZPE= 385.4 kJ/mol ZPE= 0.0600272
CONNECTIONS:
o EQ30 o EQ34
[ TS310 ] Animation C1 ENERGY= 400.1 kJ/mol
Energy+ZPE= 394.4 kJ/mol ZPE= 0.0598572
CONNECTIONS:
o EQ30 o EQ34
[ TS311 ] Animation C1 ENERGY= 401.6 kJ/mol
Energy+ZPE= 394.6 kJ/mol ZPE= 0.0593739
CONNECTIONS:
o EQ30 o EQ34
[ TS312 ] Animation C1 ENERGY= 405.4 kJ/mol
Energy+ZPE= 398.6 kJ/mol ZPE= 0.0594422
CONNECTIONS:
o EQ30 o EQ34
[ TS313 ] Animation C1 ENERGY= 505.6 kJ/mol
Energy+ZPE= 494.3 kJ/mol ZPE= 0.0577491
CONNECTIONS:
o EQ30 o EQ39
[ TS314 ] Animation C1 ENERGY= 507.6 kJ/mol
Energy+ZPE= 495.9 kJ/mol ZPE= 0.0575694
CONNECTIONS:
o EQ30 o EQ42
[ TS315 ] Animation C1 ENERGY= 985.5 kJ/mol
Energy+ZPE= 966.3 kJ/mol ZPE= 0.0547395
CONNECTIONS:
o EQ30 o EQ102
[ TS316 ] Animation C1 ENERGY= 925.0 kJ/mol
Energy+ZPE= 899.0 kJ/mol ZPE= 0.0521440
CONNECTIONS:
o EQ30 o EQ114
[ TS317 ] Animation Cs ENERGY= 364.3 kJ/mol
Energy+ZPE= 351.9 kJ/mol ZPE= 0.0572961
CONNECTIONS:
o EQ30 o DDC100
[ TS318 ] Animation C1 ENERGY= 589.3 kJ/mol
Energy+ZPE= 569.5 kJ/mol ZPE= 0.0544951
CONNECTIONS:
o EQ31 o DDC101
[ TS319 ] Animation Cs ENERGY= 377.0 kJ/mol
Energy+ZPE= 368.1 kJ/mol ZPE= 0.0586538
CONNECTIONS:
o EQ32 o EQ32
[ TS320 ] Animation C1 ENERGY= 395.7 kJ/mol
Energy+ZPE= 386.5 kJ/mol ZPE= 0.0585190
CONNECTIONS:
o EQ32 o EQ36
[ TS321 ] Animation C1 ENERGY= 757.4 kJ/mol
Energy+ZPE= 739.9 kJ/mol ZPE= 0.0553535
CONNECTIONS:
o EQ32 o EQ60
[ TS322 ] Animation C1 ENERGY= 790.8 kJ/mol
Energy+ZPE= 770.2 kJ/mol ZPE= 0.0542022
CONNECTIONS:
o EQ32 o EQ65
[ TS323 ] Animation C1 ENERGY= 704.0 kJ/mol
Energy+ZPE= 686.9 kJ/mol ZPE= 0.0555245
CONNECTIONS:
o EQ32 o EQ86
[ TS324 ] Animation C1 ENERGY= 493.8 kJ/mol
Energy+ZPE= 465.8 kJ/mol ZPE= 0.0513588
CONNECTIONS:
o EQ32 o DDC102
[ TS325 ] Animation C1 ENERGY= 504.6 kJ/mol
Energy+ZPE= 475.5 kJ/mol ZPE= 0.0509462
CONNECTIONS:
o EQ32 o DDC103
[ TS326 ] Animation C1 ENERGY= 623.9 kJ/mol
Energy+ZPE= 599.7 kJ/mol ZPE= 0.0528060
CONNECTIONS:
o EQ32 o DDC104
[ TS327 ] Animation C1 ENERGY= 626.6 kJ/mol
Energy+ZPE= 603.6 kJ/mol ZPE= 0.0532664
CONNECTIONS:
o EQ32 o DDC105
[ TS328 ] Animation C1 ENERGY= 679.9 kJ/mol
Energy+ZPE= 665.5 kJ/mol ZPE= 0.0565616
CONNECTIONS:
o EQ32 o DDC106
[ TS329 ] Animation C1 ENERGY= 751.8 kJ/mol
Energy+ZPE= 733.6 kJ/mol ZPE= 0.0550851
CONNECTIONS:
o EQ32 o DDC107
[ TS330 ] Animation C1 ENERGY= 490.6 kJ/mol
Energy+ZPE= 475.1 kJ/mol ZPE= 0.0561269
CONNECTIONS:
o EQ33 o EQ36
[ TS331 ] Animation C1 ENERGY= 633.3 kJ/mol
Energy+ZPE= 611.0 kJ/mol ZPE= 0.0535404
CONNECTIONS:
o EQ33 o DDC108
[ TS332 ] Animation C1 ENERGY= 500.1 kJ/mol
Energy+ZPE= 489.3 kJ/mol ZPE= 0.0579039
CONNECTIONS:
o EQ34 o EQ39
[ TS333 ] Animation C1 ENERGY= 503.4 kJ/mol
Energy+ZPE= 492.1 kJ/mol ZPE= 0.0577238
CONNECTIONS:
o EQ34 o EQ41
[ TS334 ] Animation C1 ENERGY= 760.9 kJ/mol
Energy+ZPE= 733.4 kJ/mol ZPE= 0.0515651
CONNECTIONS:
o EQ34 o EQ94
[ TS335 ] Animation C1 ENERGY= 533.2 kJ/mol
Energy+ZPE= 511.2 kJ/mol ZPE= 0.0536673
CONNECTIONS:
o EQ34 o DDC109
[ TS336 ] Animation C1 ENERGY= 561.0 kJ/mol
Energy+ZPE= 539.1 kJ/mol ZPE= 0.0537062
CONNECTIONS:
o EQ34 o DDC110
[ TS337 ] Animation C1 ENERGY= 792.8 kJ/mol
Energy+ZPE= 759.1 kJ/mol ZPE= 0.0491882
CONNECTIONS:
o EQ34 o DDC111
[ TS338 ] Animation Cs ENERGY= 394.9 kJ/mol
Energy+ZPE= 388.4 kJ/mol ZPE= 0.0595459
CONNECTIONS:
o EQ35 o EQ35
[ TS339 ] Animation Cs ENERGY= 417.5 kJ/mol
Energy+ZPE= 410.2 kJ/mol ZPE= 0.0592500
CONNECTIONS:
o EQ35 o EQ35
[ TS340 ] Animation C1 ENERGY= 727.7 kJ/mol
Energy+ZPE= 709.7 kJ/mol ZPE= 0.0551739
CONNECTIONS:
o EQ35 o EQ35
[ TS341 ] Animation C1 ENERGY= 736.7 kJ/mol
Energy+ZPE= 717.4 kJ/mol ZPE= 0.0546705
CONNECTIONS:
o EQ35 o EQ35
[ TS342 ] Animation C1 ENERGY= 748.7 kJ/mol
Energy+ZPE= 729.1 kJ/mol ZPE= 0.0545826
CONNECTIONS:
o EQ35 o EQ35
[ TS343 ] Animation C1 ENERGY= 781.3 kJ/mol
Energy+ZPE= 771.0 kJ/mol ZPE= 0.0581194
CONNECTIONS:
o EQ35 o EQ35
[ TS344 ] Animation C1 ENERGY= 946.5 kJ/mol
Energy+ZPE= 919.2 kJ/mol ZPE= 0.0516292
CONNECTIONS:
o EQ35 o EQ35
[ TS345 ] Animation C1 ENERGY= 417.5 kJ/mol
Energy+ZPE= 408.8 kJ/mol ZPE= 0.0587028
CONNECTIONS:
o EQ35 o EQ37
[ TS346 ] Animation C1 ENERGY= 732.5 kJ/mol
Energy+ZPE= 713.6 kJ/mol ZPE= 0.0548524
CONNECTIONS:
o EQ35 o EQ37
[ TS347 ] Animation C1 ENERGY= 418.4 kJ/mol
Energy+ZPE= 409.7 kJ/mol ZPE= 0.0587328
CONNECTIONS:
o EQ35 o EQ38
[ TS348 ] Animation C1 ENERGY= 532.1 kJ/mol
Energy+ZPE= 516.5 kJ/mol ZPE= 0.0560954
CONNECTIONS:
o EQ35 o EQ51
[ TS349 ] Animation C1 ENERGY= 631.7 kJ/mol
Energy+ZPE= 609.7 kJ/mol ZPE= 0.0536627
CONNECTIONS:
o EQ35 o EQ52
[ TS350 ] Animation C1 ENERGY= 638.8 kJ/mol
Energy+ZPE= 622.3 kJ/mol ZPE= 0.0557595
CONNECTIONS:
o EQ35 o EQ76
[ TS351 ] Animation C1 ENERGY= 885.5 kJ/mol
Energy+ZPE= 860.2 kJ/mol ZPE= 0.0524002
CONNECTIONS:
o EQ35 o EQ76
[ TS352 ] Animation C1 ENERGY= 755.9 kJ/mol
Energy+ZPE= 742.3 kJ/mol ZPE= 0.0568730
CONNECTIONS:
o EQ35 o EQ90
[ TS353 ] Animation C1 ENERGY= 738.2 kJ/mol
Energy+ZPE= 718.7 kJ/mol ZPE= 0.0545915
CONNECTIONS:
o EQ35 o EQ91
[ TS354 ] Animation C1 ENERGY= 754.8 kJ/mol
Energy+ZPE= 733.2 kJ/mol ZPE= 0.0537943
CONNECTIONS:
o EQ35 o EQ93
[ TS355 ] Animation C1 ENERGY= 760.3 kJ/mol
Energy+ZPE= 748.8 kJ/mol ZPE= 0.0576683
CONNECTIONS:
o EQ35 o EQ96
[ TS356 ] Animation C1 ENERGY= 764.1 kJ/mol
Energy+ZPE= 753.8 kJ/mol ZPE= 0.0580973
CONNECTIONS:
o EQ35 o EQ97
[ TS357 ] Animation C1 ENERGY= 911.0 kJ/mol
Energy+ZPE= 892.5 kJ/mol ZPE= 0.0549941
CONNECTIONS:
o EQ35 o EQ113
[ TS358 ] Animation C1 ENERGY= 934.6 kJ/mol
Energy+ZPE= 915.0 kJ/mol ZPE= 0.0545625
CONNECTIONS:
o EQ35 o EQ113
[ TS359 ] Animation C1 ENERGY= 766.3 kJ/mol
Energy+ZPE= 751.6 kJ/mol ZPE= 0.0564271
CONNECTIONS:
o EQ35 o DDC112
[ TS360 ] Animation C1 ENERGY= 781.0 kJ/mol
Energy+ZPE= 764.8 kJ/mol ZPE= 0.0558574
CONNECTIONS:
o EQ35 o DDC113
[ TS361 ] Animation C1 ENERGY= 829.4 kJ/mol
Energy+ZPE= 804.9 kJ/mol ZPE= 0.0526888
CONNECTIONS:
o EQ35 o DDC114
[ TS362 ] Animation C1 ENERGY= 859.1 kJ/mol
Energy+ZPE= 833.8 kJ/mol ZPE= 0.0524009
CONNECTIONS:
o EQ35 o DDC115
[ TS363 ] Animation C1 ENERGY= 861.7 kJ/mol
Energy+ZPE= 825.5 kJ/mol ZPE= 0.0482506
CONNECTIONS:
o EQ35 o DDC116
[ TS364 ] Animation C1 ENERGY= 892.4 kJ/mol
Energy+ZPE= 857.6 kJ/mol ZPE= 0.0487981
CONNECTIONS:
o EQ35 o DDC117
[ TS365 ] Animation C1 ENERGY= 899.5 kJ/mol
Energy+ZPE= 872.8 kJ/mol ZPE= 0.0518495
CONNECTIONS:
o EQ35 o DDC118
[ TS366 ] Animation Cs ENERGY= 394.9 kJ/mol
Energy+ZPE= 385.7 kJ/mol ZPE= 0.0585365
CONNECTIONS:
o EQ36 o EQ36
[ TS367 ] Animation C1 ENERGY= 649.5 kJ/mol
Energy+ZPE= 625.6 kJ/mol ZPE= 0.0529286
CONNECTIONS:
o EQ36 o DDC119
[ TS368 ] Animation Cs ENERGY= 633.1 kJ/mol
Energy+ZPE= 611.9 kJ/mol ZPE= 0.0539581
CONNECTIONS:
o EQ37 o EQ37
[ TS369 ] Animation C1 ENERGY= 398.7 kJ/mol
Energy+ZPE= 391.3 kJ/mol ZPE= 0.0592049
CONNECTIONS:
o EQ37 o EQ38
[ TS370 ] Animation C1 ENERGY= 400.4 kJ/mol
Energy+ZPE= 392.3 kJ/mol ZPE= 0.0589553
CONNECTIONS:
o EQ37 o EQ38
[ TS371 ] Animation C1 ENERGY= 423.9 kJ/mol
Energy+ZPE= 415.5 kJ/mol ZPE= 0.0588176
CONNECTIONS:
o EQ37 o EQ38
[ TS372 ] Animation C1 ENERGY= 667.9 kJ/mol
Energy+ZPE= 646.6 kJ/mol ZPE= 0.0539115
CONNECTIONS:
o EQ37 o EQ72
[ TS373 ] Animation C1 ENERGY= 637.5 kJ/mol
Energy+ZPE= 621.8 kJ/mol ZPE= 0.0560361
CONNECTIONS:
o EQ37 o EQ78
[ TS374 ] Animation C1 ENERGY= 691.2 kJ/mol
Energy+ZPE= 679.6 kJ/mol ZPE= 0.0576275
CONNECTIONS:
o EQ37 o EQ78
[ TS375 ] Animation C1 ENERGY= 802.5 kJ/mol
Energy+ZPE= 783.8 kJ/mol ZPE= 0.0549083
CONNECTIONS:
o EQ37 o EQ78
[ TS376 ] Animation C1 ENERGY= 752.1 kJ/mol
Energy+ZPE= 722.9 kJ/mol ZPE= 0.0509108
CONNECTIONS:
o EQ37 o EQ88
[ TS377 ] Animation C1 ENERGY= 741.6 kJ/mol
Energy+ZPE= 722.4 kJ/mol ZPE= 0.0547060
CONNECTIONS:
o EQ37 o EQ91
[ TS378 ] Animation C1 ENERGY= 639.5 kJ/mol
Energy+ZPE= 615.4 kJ/mol ZPE= 0.0528611
CONNECTIONS:
o EQ37 o DDC120
[ TS379 ] Animation C1 ENERGY= 683.4 kJ/mol
Energy+ZPE= 665.0 kJ/mol ZPE= 0.0550084
CONNECTIONS:
o EQ37 o DDC121
[ TS380 ] Animation C1 ENERGY= 776.6 kJ/mol
Energy+ZPE= 760.4 kJ/mol ZPE= 0.0558759
CONNECTIONS:
o EQ37 o DDC122
[ TS381 ] Animation C1 ENERGY= 662.4 kJ/mol
Energy+ZPE= 642.5 kJ/mol ZPE= 0.0544418
CONNECTIONS:
o EQ38 o EQ71
[ TS382 ] Animation C1 ENERGY= 640.4 kJ/mol
Energy+ZPE= 624.0 kJ/mol ZPE= 0.0557985
CONNECTIONS:
o EQ38 o EQ77
[ TS383 ] Animation C1 ENERGY= 681.9 kJ/mol
Energy+ZPE= 670.8 kJ/mol ZPE= 0.0578013
CONNECTIONS:
o EQ38 o EQ77
[ TS384 ] Animation C1 ENERGY= 788.5 kJ/mol
Energy+ZPE= 771.4 kJ/mol ZPE= 0.0555087
CONNECTIONS:
o EQ38 o EQ77
[ TS385 ] Animation C1 ENERGY= 771.0 kJ/mol
Energy+ZPE= 755.2 kJ/mol ZPE= 0.0560043
CONNECTIONS:
o EQ38 o EQ90
[ TS386 ] Animation C1 ENERGY= 748.6 kJ/mol
Energy+ZPE= 724.8 kJ/mol ZPE= 0.0529732
CONNECTIONS:
o EQ38 o DDC123
[ TS387 ] Animation C1 ENERGY= 749.7 kJ/mol
Energy+ZPE= 720.7 kJ/mol ZPE= 0.0509838
CONNECTIONS:
o EQ38 o DDC124
[ TS388 ] Animation C1 ENERGY= 861.9 kJ/mol
Energy+ZPE= 835.7 kJ/mol ZPE= 0.0520393
CONNECTIONS:
o EQ38 o DDC125
[ TS389 ] Animation Cs ENERGY= 417.2 kJ/mol
Energy+ZPE= 406.3 kJ/mol ZPE= 0.0578666
CONNECTIONS:
o EQ39 o EQ39
[ TS390 ] Animation Cs ENERGY= 422.5 kJ/mol
Energy+ZPE= 414.3 kJ/mol ZPE= 0.0589019
CONNECTIONS:
o EQ39 o EQ39
[ TS391 ] Animation C1 ENERGY= 403.0 kJ/mol
Energy+ZPE= 396.7 kJ/mol ZPE= 0.0596440
CONNECTIONS:
o EQ39 o EQ41
[ TS392 ] Animation C1 ENERGY= 422.4 kJ/mol
Energy+ZPE= 413.9 kJ/mol ZPE= 0.0588001
CONNECTIONS:
o EQ39 o EQ41
[ TS393 ] Animation C1 ENERGY= 404.9 kJ/mol
Energy+ZPE= 398.0 kJ/mol ZPE= 0.0594233
CONNECTIONS:
o EQ39 o EQ42
[ TS394 ] Animation C1 ENERGY= 449.8 kJ/mol
Energy+ZPE= 417.8 kJ/mol ZPE= 0.0498474
CONNECTIONS:
o EQ39 o DDC126
[ TS395 ] Animation C1 ENERGY= 773.4 kJ/mol
Energy+ZPE= 745.5 kJ/mol ZPE= 0.0514154
CONNECTIONS:
o EQ39 o DDC127
[ TS396 ] Animation C1 ENERGY= 783.9 kJ/mol
Energy+ZPE= 751.1 kJ/mol ZPE= 0.0495576
CONNECTIONS:
o EQ39 o DDC128
[ TS397 ] Animation C1 ENERGY= 803.1 kJ/mol
Energy+ZPE= 767.1 kJ/mol ZPE= 0.0483400
CONNECTIONS:
o EQ39 o DDC129
[ TS398 ] Animation C1 ENERGY= 805.9 kJ/mol
Energy+ZPE= 772.1 kJ/mol ZPE= 0.0491725
CONNECTIONS:
o EQ39 o DDC130
[ TS399 ] Animation C1 ENERGY= 403.5 kJ/mol
Energy+ZPE= 392.7 kJ/mol ZPE= 0.0579254
CONNECTIONS:
o EQ40 o EQ40
[ TS400 ] Animation Cs ENERGY= 483.2 kJ/mol
Energy+ZPE= 470.7 kJ/mol ZPE= 0.0572585
CONNECTIONS:
o EQ40 o EQ40
[ TS401 ] Animation C1 ENERGY= 747.1 kJ/mol
Energy+ZPE= 723.5 kJ/mol ZPE= 0.0530426
CONNECTIONS:
o EQ40 o EQ81
[ TS402 ] Animation C1 ENERGY= 405.5 kJ/mol
Energy+ZPE= 398.3 kJ/mol ZPE= 0.0592842
CONNECTIONS:
o EQ41 o EQ42
[ TS403 ] Animation C1 ENERGY= 416.3 kJ/mol
Energy+ZPE= 407.6 kJ/mol ZPE= 0.0587142
CONNECTIONS:
o EQ41 o EQ42
[ TS404 ] Animation C1 ENERGY= 775.1 kJ/mol
Energy+ZPE= 746.3 kJ/mol ZPE= 0.0510692
CONNECTIONS:
o EQ41 o EQ95
[ TS405 ] Animation C1 ENERGY= 775.2 kJ/mol
Energy+ZPE= 747.1 kJ/mol ZPE= 0.0513253
CONNECTIONS:
o EQ41 o EQ95
[ TS406 ] Animation C1 ENERGY= 528.4 kJ/mol
Energy+ZPE= 505.9 kJ/mol ZPE= 0.0534828
CONNECTIONS:
o EQ41 o DDC131
[ TS407 ] Animation C1 ENERGY= 799.4 kJ/mol
Energy+ZPE= 765.1 kJ/mol ZPE= 0.0489615
CONNECTIONS:
o EQ41 o DDC132
[ TS408 ] Animation C1 ENERGY= 781.7 kJ/mol
Energy+ZPE= 752.9 kJ/mol ZPE= 0.0510655
CONNECTIONS:
o EQ42 o EQ95
[ TS409 ] Animation C1 ENERGY= 499.9 kJ/mol
Energy+ZPE= 483.7 kJ/mol ZPE= 0.0558820
CONNECTIONS:
o EQ42 o DDC133
[ TS410 ] Animation C1 ENERGY= 535.8 kJ/mol
Energy+ZPE= 515.6 kJ/mol ZPE= 0.0543346
CONNECTIONS:
o EQ42 o DDC134
[ TS411 ] Animation Cs ENERGY= 727.9 kJ/mol
Energy+ZPE= 696.4 kJ/mol ZPE= 0.0500530
CONNECTIONS:
o EQ42 o DDC135
[ TS412 ] Animation C1 ENERGY= 794.7 kJ/mol
Energy+ZPE= 759.0 kJ/mol ZPE= 0.0484353
CONNECTIONS:
o EQ42 o DDC136
[ TS413 ] Animation C1 ENERGY= 809.5 kJ/mol
Energy+ZPE= 774.7 kJ/mol ZPE= 0.0487657
CONNECTIONS:
o EQ42 o DDC137
[ TS414 ] Animation C2v ENERGY= 509.0 kJ/mol
Energy+ZPE= 474.5 kJ/mol ZPE= 0.0488949
CONNECTIONS:
o EQ43 o EQ43
[ TS415 ] Animation C1 ENERGY= 529.4 kJ/mol
Energy+ZPE= 504.5 kJ/mol ZPE= 0.0525426
CONNECTIONS:
o EQ43 o EQ47
[ TS416 ] Animation C1 ENERGY= 536.9 kJ/mol
Energy+ZPE= 510.4 kJ/mol ZPE= 0.0519527
CONNECTIONS:
o EQ43 o EQ47
[ TS417 ] Animation C1 ENERGY= 542.3 kJ/mol
Energy+ZPE= 521.8 kJ/mol ZPE= 0.0542375
CONNECTIONS:
o EQ43 o DDC138
[ TS418 ] Animation Cs ENERGY= 417.6 kJ/mol
Energy+ZPE= 404.8 kJ/mol ZPE= 0.0571416
CONNECTIONS:
o EQ44 o EQ44
[ TS419 ] Animation Cs ENERGY= 471.2 kJ/mol
Energy+ZPE= 457.8 kJ/mol ZPE= 0.0569156
CONNECTIONS:
o EQ44 o EQ44
[ TS420 ] Animation C1 ENERGY= 441.4 kJ/mol
Energy+ZPE= 431.0 kJ/mol ZPE= 0.0580550
CONNECTIONS:
o EQ44 o EQ49
[ TS421 ] Animation C1 ENERGY= 455.9 kJ/mol
Energy+ZPE= 445.2 kJ/mol ZPE= 0.0579434
CONNECTIONS:
o EQ44 o EQ53
[ TS422 ] Animation C1 ENERGY= 922.1 kJ/mol
Energy+ZPE= 897.7 kJ/mol ZPE= 0.0527339
CONNECTIONS:
o EQ44 o EQ114
[ TS423 ] Animation C1 ENERGY= 470.4 kJ/mol
Energy+ZPE= 457.1 kJ/mol ZPE= 0.0569518
CONNECTIONS:
o EQ44 o DDC139
[ TS424 ] Animation C1 ENERGY= 486.8 kJ/mol
Energy+ZPE= 471.6 kJ/mol ZPE= 0.0562492
CONNECTIONS:
o EQ44 o DDC140
[ TS425 ] Animation C1 ENERGY= 601.0 kJ/mol
Energy+ZPE= 579.4 kJ/mol ZPE= 0.0538222
CONNECTIONS:
o EQ44 o DDC141
[ TS426 ] Animation C1 ENERGY= 684.3 kJ/mol
Energy+ZPE= 650.2 kJ/mol ZPE= 0.0490568
CONNECTIONS:
o EQ44 o DDC142
[ TS427 ] Animation C1 ENERGY= 908.9 kJ/mol
Energy+ZPE= 886.7 kJ/mol ZPE= 0.0535734
CONNECTIONS:
o EQ44 o DDC143
[ TS428 ] Animation C1 ENERGY= 921.4 kJ/mol
Energy+ZPE= 888.1 kJ/mol ZPE= 0.0493684
CONNECTIONS:
o EQ44 o DDC144
[ TS429 ] Animation C2v ENERGY= 419.4 kJ/mol
Energy+ZPE= 419.6 kJ/mol ZPE= 0.0621131
CONNECTIONS:
o EQ45 o EQ45
[ TS430 ] Animation C1 ENERGY= 688.1 kJ/mol
Energy+ZPE= 677.8 kJ/mol ZPE= 0.0581242
CONNECTIONS:
o EQ45 o EQ79
[ TS431 ] Animation C1 ENERGY= 732.5 kJ/mol
Energy+ZPE= 725.1 kJ/mol ZPE= 0.0592280
CONNECTIONS:
o EQ45 o EQ79
[ TS432 ] Animation C1 ENERGY= 686.4 kJ/mol
Energy+ZPE= 673.1 kJ/mol ZPE= 0.0569660
CONNECTIONS:
o EQ45 o EQ83
[ TS433 ] Animation C1 ENERGY= 616.6 kJ/mol
Energy+ZPE= 605.0 kJ/mol ZPE= 0.0576124
CONNECTIONS:
o EQ45 o DDC145
[ TS434 ] Animation C1 ENERGY= 794.9 kJ/mol
Energy+ZPE= 768.2 kJ/mol ZPE= 0.0518784
CONNECTIONS:
o EQ45 o DDC146
[ TS435 ] Animation C1 ENERGY= 896.1 kJ/mol
Energy+ZPE= 876.6 kJ/mol ZPE= 0.0545936
CONNECTIONS:
o EQ45 o DDC147
[ TS436 ] Animation C1 ENERGY= 963.5 kJ/mol
Energy+ZPE= 928.4 kJ/mol ZPE= 0.0486733
CONNECTIONS:
o EQ45 o DDC148
[ TS437 ] Animation C1 ENERGY= 446.5 kJ/mol
Energy+ZPE= 434.6 kJ/mol ZPE= 0.0574926
CONNECTIONS:
o EQ46 o EQ46
[ TS438 ] Animation C1 ENERGY= 448.2 kJ/mol
Energy+ZPE= 437.1 kJ/mol ZPE= 0.0578238
CONNECTIONS:
o EQ46 o EQ50
[ TS439 ] Animation C1 ENERGY= 454.0 kJ/mol
Energy+ZPE= 441.8 kJ/mol ZPE= 0.0573851
CONNECTIONS:
o EQ46 o EQ50
[ TS440 ] Animation C1 ENERGY= 459.9 kJ/mol
Energy+ZPE= 448.2 kJ/mol ZPE= 0.0575748
CONNECTIONS:
o EQ46 o EQ50
[ TS441 ] Animation C1 ENERGY= 467.9 kJ/mol
Energy+ZPE= 443.9 kJ/mol ZPE= 0.0529067
CONNECTIONS:
o EQ46 o DDC149
[ TS442 ] Animation C1 ENERGY= 496.5 kJ/mol
Energy+ZPE= 471.8 kJ/mol ZPE= 0.0526134
CONNECTIONS:
o EQ46 o DDC150
[ TS443 ] Animation C1 ENERGY= 558.5 kJ/mol
Energy+ZPE= 530.8 kJ/mol ZPE= 0.0514975
CONNECTIONS:
o EQ46 o DDC151
[ TS444 ] Animation C1 ENERGY= 437.1 kJ/mol
Energy+ZPE= 419.0 kJ/mol ZPE= 0.0551438
CONNECTIONS:
o EQ47 o EQ47
[ TS445 ] Animation C1 ENERGY= 437.0 kJ/mol
Energy+ZPE= 418.6 kJ/mol ZPE= 0.0550429
CONNECTIONS:
o EQ47 o EQ48
[ TS446 ] Animation C1 ENERGY= 437.0 kJ/mol
Energy+ZPE= 418.8 kJ/mol ZPE= 0.0551153
CONNECTIONS:
o EQ47 o DDC152
[ TS447 ] Animation C1 ENERGY= 542.3 kJ/mol
Energy+ZPE= 522.4 kJ/mol ZPE= 0.0544499
CONNECTIONS:
o EQ47 o DDC153
[ TS448 ] Animation Cs ENERGY= 603.2 kJ/mol
Energy+ZPE= 578.0 kJ/mol ZPE= 0.0524443
CONNECTIONS:
o EQ49 o EQ57
[ TS449 ] Animation Cs ENERGY= 453.1 kJ/mol
Energy+ZPE= 442.6 kJ/mol ZPE= 0.0580520
CONNECTIONS:
o EQ50 o EQ50
[ TS450 ] Animation C1 ENERGY= 558.5 kJ/mol
Energy+ZPE= 532.1 kJ/mol ZPE= 0.0519925
CONNECTIONS:
o EQ50 o DDC154
[ TS451 ] Animation Cs ENERGY= 457.3 kJ/mol
Energy+ZPE= 450.7 kJ/mol ZPE= 0.0595369
CONNECTIONS:
o EQ51 o EQ51
[ TS452 ] Animation Cs ENERGY= 609.6 kJ/mol
Energy+ZPE= 597.1 kJ/mol ZPE= 0.0572630
CONNECTIONS:
o EQ51 o EQ55
[ TS453 ] Animation C1 ENERGY= 690.1 kJ/mol
Energy+ZPE= 673.4 kJ/mol ZPE= 0.0556677
CONNECTIONS:
o EQ51 o EQ83
[ TS454 ] Animation C1 ENERGY= 860.0 kJ/mol
Energy+ZPE= 834.2 kJ/mol ZPE= 0.0522132
CONNECTIONS:
o EQ51 o EQ98
[ TS455 ] Animation C1 ENERGY= 960.5 kJ/mol
Energy+ZPE= 941.7 kJ/mol ZPE= 0.0548601
CONNECTIONS:
o EQ51 o EQ109
[ TS456 ] Animation C1 ENERGY= 960.7 kJ/mol
Energy+ZPE= 942.4 kJ/mol ZPE= 0.0550600
CONNECTIONS:
o EQ51 o EQ109
[ TS457 ] Animation C1 ENERGY= 772.1 kJ/mol
Energy+ZPE= 757.4 kJ/mol ZPE= 0.0564353
CONNECTIONS:
o EQ51 o DDC155
[ TS458 ] Animation C1 ENERGY= 826.3 kJ/mol
Energy+ZPE= 797.7 kJ/mol ZPE= 0.0511566
CONNECTIONS:
o EQ51 o DDC156
[ TS459 ] Animation Cs ENERGY= 952.5 kJ/mol
Energy+ZPE= 914.5 kJ/mol ZPE= 0.0475546
CONNECTIONS:
o EQ51 o DDC157
[ TS460 ] Animation C1 ENERGY= 453.2 kJ/mol
Energy+ZPE= 439.5 kJ/mol ZPE= 0.0568006
CONNECTIONS:
o EQ52 o EQ52
[ TS461 ] Animation Cs ENERGY= 454.2 kJ/mol
Energy+ZPE= 440.1 kJ/mol ZPE= 0.0566531
CONNECTIONS:
o EQ52 o EQ52
[ TS462 ] Animation C1 ENERGY= 688.5 kJ/mol
Energy+ZPE= 672.8 kJ/mol ZPE= 0.0560398
CONNECTIONS:
o EQ52 o EQ84
[ TS463 ] Animation C1 ENERGY= 702.3 kJ/mol
Energy+ZPE= 686.9 kJ/mol ZPE= 0.0561614
CONNECTIONS:
o EQ52 o EQ87
[ TS464 ] Animation C1 ENERGY= 828.9 kJ/mol
Energy+ZPE= 805.0 kJ/mol ZPE= 0.0529272
CONNECTIONS:
o EQ52 o EQ98
[ TS465 ] Animation C1 ENERGY= 467.4 kJ/mol
Energy+ZPE= 448.4 kJ/mol ZPE= 0.0548147
CONNECTIONS:
o EQ52 o DDC158
[ TS466 ] Animation C1 ENERGY= 789.2 kJ/mol
Energy+ZPE= 748.8 kJ/mol ZPE= 0.0466378
CONNECTIONS:
o EQ52 o DDC159
[ TS467 ] Animation C1 ENERGY= 821.9 kJ/mol
Energy+ZPE= 779.5 kJ/mol ZPE= 0.0458754
CONNECTIONS:
o EQ52 o DDC160
[ TS468 ] Animation Cs ENERGY= 500.2 kJ/mol
Energy+ZPE= 490.7 kJ/mol ZPE= 0.0584165
CONNECTIONS:
o EQ54 o EQ54
[ TS469 ] Animation C1 ENERGY= 520.0 kJ/mol
Energy+ZPE= 506.6 kJ/mol ZPE= 0.0569417
CONNECTIONS:
o EQ54 o EQ58
[ TS470 ] Animation C1 ENERGY= 522.2 kJ/mol
Energy+ZPE= 510.7 kJ/mol ZPE= 0.0576441
CONNECTIONS:
o EQ54 o EQ58
[ TS471 ] Animation C1 ENERGY= 501.1 kJ/mol
Energy+ZPE= 492.6 kJ/mol ZPE= 0.0587782
CONNECTIONS:
o EQ54 o EQ59
[ TS472 ] Animation C1 ENERGY= 512.9 kJ/mol
Energy+ZPE= 502.5 kJ/mol ZPE= 0.0580831
CONNECTIONS:
o EQ54 o EQ59
[ TS473 ] Animation C1 ENERGY= 613.9 kJ/mol
Energy+ZPE= 594.7 kJ/mol ZPE= 0.0547123
CONNECTIONS:
o EQ54 o DDC161
[ TS474 ] Animation C1 ENERGY= 753.7 kJ/mol
Energy+ZPE= 737.8 kJ/mol ZPE= 0.0559837
CONNECTIONS:
o EQ54 o DDC162
[ TS475 ] Animation Cs ENERGY= 468.4 kJ/mol
Energy+ZPE= 461.1 kJ/mol ZPE= 0.0592454
CONNECTIONS:
o EQ55 o EQ55
[ TS476 ] Animation Cs ENERGY= 606.8 kJ/mol
Energy+ZPE= 586.4 kJ/mol ZPE= 0.0542654
CONNECTIONS:
o EQ55 o EQ71
[ TS477 ] Animation C1 ENERGY= 963.1 kJ/mol
Energy+ZPE= 934.4 kJ/mol ZPE= 0.0511004
CONNECTIONS:
o EQ55 o EQ79
[ TS478 ] Animation C1 ENERGY= 921.2 kJ/mol
Energy+ZPE= 903.4 kJ/mol ZPE= 0.0552518
CONNECTIONS:
o EQ55 o EQ102
[ TS479 ] Animation C1 ENERGY= 939.7 kJ/mol
Energy+ZPE= 911.9 kJ/mol ZPE= 0.0514560
CONNECTIONS:
o EQ55 o EQ103
[ TS480 ] Animation Cs ENERGY= 477.5 kJ/mol
Energy+ZPE= 462.3 kJ/mol ZPE= 0.0562406
CONNECTIONS:
o EQ56 o EQ56
[ TS481 ] Animation C1 ENERGY= 513.8 kJ/mol
Energy+ZPE= 498.7 kJ/mol ZPE= 0.0562655
CONNECTIONS:
o EQ56 o EQ62
[ TS482 ] Animation C1 ENERGY= 503.2 kJ/mol
Energy+ZPE= 488.4 kJ/mol ZPE= 0.0563872
CONNECTIONS:
o EQ56 o DDC163
[ TS483 ] Animation Cs ENERGY= 472.3 kJ/mol
Energy+ZPE= 457.6 kJ/mol ZPE= 0.0564379
CONNECTIONS:
o EQ57 o EQ57
[ TS484 ] Animation C1 ENERGY= 515.9 kJ/mol
Energy+ZPE= 505.0 kJ/mol ZPE= 0.0578727
CONNECTIONS:
o EQ58 o EQ59
[ TS485 ] Animation C1 ENERGY= 527.3 kJ/mol
Energy+ZPE= 517.1 kJ/mol ZPE= 0.0581397
CONNECTIONS:
o EQ58 o EQ69
[ TS486 ] Animation C1 ENERGY= 532.0 kJ/mol
Energy+ZPE= 522.2 kJ/mol ZPE= 0.0583201
CONNECTIONS:
o EQ58 o EQ69
[ TS487 ] Animation C1 ENERGY= 758.8 kJ/mol
Energy+ZPE= 741.3 kJ/mol ZPE= 0.0553724
CONNECTIONS:
o EQ58 o DDC164
[ TS488 ] Animation C1 ENERGY= 542.9 kJ/mol
Energy+ZPE= 530.5 kJ/mol ZPE= 0.0572976
CONNECTIONS:
o EQ59 o EQ69
[ TS489 ] Animation C1 ENERGY= 641.3 kJ/mol
Energy+ZPE= 620.0 kJ/mol ZPE= 0.0539354
CONNECTIONS:
o EQ59 o DDC165
[ TS490 ] Animation C1 ENERGY= 767.7 kJ/mol
Energy+ZPE= 751.4 kJ/mol ZPE= 0.0558324
CONNECTIONS:
o EQ59 o DDC166
[ TS491 ] Animation C1 ENERGY= 510.7 kJ/mol
Energy+ZPE= 501.4 kJ/mol ZPE= 0.0584817
CONNECTIONS:
o EQ60 o EQ63
[ TS492 ] Animation C1 ENERGY= 512.2 kJ/mol
Energy+ZPE= 503.8 kJ/mol ZPE= 0.0588427
CONNECTIONS:
o EQ60 o EQ63
[ TS493 ] Animation C1 ENERGY= 518.8 kJ/mol
Energy+ZPE= 508.0 kJ/mol ZPE= 0.0579088
CONNECTIONS:
o EQ60 o EQ64
[ TS494 ] Animation C1 ENERGY= 532.1 kJ/mol
Energy+ZPE= 519.5 kJ/mol ZPE= 0.0572406
CONNECTIONS:
o EQ60 o EQ65
[ TS495 ] Animation C1 ENERGY= 489.7 kJ/mol
Energy+ZPE= 466.7 kJ/mol ZPE= 0.0532591
CONNECTIONS:
o EQ61 o DDC167
[ TS496 ] Animation C1 ENERGY= 490.6 kJ/mol
Energy+ZPE= 466.9 kJ/mol ZPE= 0.0529892
CONNECTIONS:
o EQ61 o DDC168
[ TS497 ] Animation C1 ENERGY= 536.7 kJ/mol
Energy+ZPE= 520.5 kJ/mol ZPE= 0.0558737
CONNECTIONS:
o EQ62 o DDC169
[ TS498 ] Animation C1 ENERGY= 570.8 kJ/mol
Energy+ZPE= 554.0 kJ/mol ZPE= 0.0556254
CONNECTIONS:
o EQ62 o DDC170
[ TS499 ] Animation C1 ENERGY= 573.7 kJ/mol
Energy+ZPE= 548.3 kJ/mol ZPE= 0.0523556
CONNECTIONS:
o EQ62 o DDC171
[ TS500 ] Animation Cs ENERGY= 529.9 kJ/mol
Energy+ZPE= 518.2 kJ/mol ZPE= 0.0575621
CONNECTIONS:
o EQ63 o EQ63
[ TS501 ] Animation C1 ENERGY= 530.3 kJ/mol
Energy+ZPE= 517.5 kJ/mol ZPE= 0.0571697
CONNECTIONS:
o EQ63 o EQ64
[ TS502 ] Animation C1 ENERGY= 514.4 kJ/mol
Energy+ZPE= 505.2 kJ/mol ZPE= 0.0585189
CONNECTIONS:
o EQ64 o EQ65
[ TS503 ] Animation C1 ENERGY= 532.8 kJ/mol
Energy+ZPE= 519.8 kJ/mol ZPE= 0.0570904
CONNECTIONS:
o EQ64 o EQ65
[ TS504 ] Animation C1 ENERGY= 533.7 kJ/mol
Energy+ZPE= 522.5 kJ/mol ZPE= 0.0577516
CONNECTIONS:
o EQ64 o EQ65
[ TS505 ] Animation C1 ENERGY= 633.6 kJ/mol
Energy+ZPE= 610.4 kJ/mol ZPE= 0.0532140
CONNECTIONS:
o EQ64 o DDC172
[ TS506 ] Animation Cs ENERGY= 525.1 kJ/mol
Energy+ZPE= 514.3 kJ/mol ZPE= 0.0579120
CONNECTIONS:
o EQ65 o EQ65
[ TS507 ] Animation C1 ENERGY= 629.4 kJ/mol
Energy+ZPE= 606.8 kJ/mol ZPE= 0.0534354
CONNECTIONS:
o EQ65 o DDC173
[ TS508 ] Animation C1 ENERGY= 508.8 kJ/mol
Energy+ZPE= 493.4 kJ/mol ZPE= 0.0561813
CONNECTIONS:
o EQ66 o EQ66
[ TS509 ] Animation C1 ENERGY= 735.0 kJ/mol
Energy+ZPE= 720.5 kJ/mol ZPE= 0.0564938
CONNECTIONS:
o EQ66 o EQ89
[ TS510 ] Animation C1 ENERGY= 741.1 kJ/mol
Energy+ZPE= 727.6 kJ/mol ZPE= 0.0568734
CONNECTIONS:
o EQ66 o EQ92
[ TS511 ] Animation Cs ENERGY= 934.0 kJ/mol
Energy+ZPE= 913.7 kJ/mol ZPE= 0.0542995
CONNECTIONS:
o EQ66 o EQ102
[ TS512 ] Animation Cs ENERGY= 996.7 kJ/mol
Energy+ZPE= 971.8 kJ/mol ZPE= 0.0525497
CONNECTIONS:
o EQ66 o EQ102
[ TS513 ] Animation C1 ENERGY= 515.1 kJ/mol
Energy+ZPE= 499.7 kJ/mol ZPE= 0.0561570
CONNECTIONS:
o EQ66 o DDC174
[ TS514 ] Animation Cs ENERGY= 515.7 kJ/mol
Energy+ZPE= 497.2 kJ/mol ZPE= 0.0549918
CONNECTIONS:
o EQ66 o DDC175
[ TS515 ] Animation Cs ENERGY= 728.9 kJ/mol
Energy+ZPE= 692.8 kJ/mol ZPE= 0.0482659
CONNECTIONS:
o EQ66 o DDC176
[ TS516 ] Animation C1 ENERGY= 762.9 kJ/mol
Energy+ZPE= 746.6 kJ/mol ZPE= 0.0558228
CONNECTIONS:
o EQ66 o DDC177
[ TS517 ] Animation Cs ENERGY= 522.7 kJ/mol
Energy+ZPE= 511.1 kJ/mol ZPE= 0.0576061
CONNECTIONS:
o EQ67 o EQ67
[ TS518 ] Animation C1 ENERGY= 511.5 kJ/mol
Energy+ZPE= 501.2 kJ/mol ZPE= 0.0580953
CONNECTIONS:
o EQ67 o EQ68
[ TS519 ] Animation C1 ENERGY= 532.3 kJ/mol
Energy+ZPE= 519.8 kJ/mol ZPE= 0.0572582
CONNECTIONS:
o EQ67 o EQ68
[ TS520 ] Animation C1 ENERGY= 517.8 kJ/mol
Energy+ZPE= 505.7 kJ/mol ZPE= 0.0574416
CONNECTIONS:
o EQ67 o DDC178
[ TS521 ] Animation C1 ENERGY= 545.3 kJ/mol
Energy+ZPE= 529.4 kJ/mol ZPE= 0.0559697
CONNECTIONS:
o EQ67 o DDC179
[ TS522 ] Animation C1 ENERGY= 522.7 kJ/mol
Energy+ZPE= 509.7 kJ/mol ZPE= 0.0570992
CONNECTIONS:
o EQ68 o EQ68
[ TS523 ] Animation C1 ENERGY= 549.3 kJ/mol
Energy+ZPE= 532.9 kJ/mol ZPE= 0.0557948
CONNECTIONS:
o EQ68 o DDC180
[ TS524 ] Animation C1 ENERGY= 795.1 kJ/mol
Energy+ZPE= 767.6 kJ/mol ZPE= 0.0515649
CONNECTIONS:
o EQ68 o DDC181
[ TS525 ] Animation Cs ENERGY= 547.4 kJ/mol
Energy+ZPE= 534.8 kJ/mol ZPE= 0.0572388
CONNECTIONS:
o EQ69 o EQ69
[ TS526 ] Animation C1 ENERGY= 776.9 kJ/mol
Energy+ZPE= 760.8 kJ/mol ZPE= 0.0558994
CONNECTIONS:
o EQ69 o DDC182
[ TS527 ] Animation Cs ENERGY= 545.4 kJ/mol
Energy+ZPE= 530.6 kJ/mol ZPE= 0.0563976
CONNECTIONS:
o EQ70 o EQ70
[ TS528 ] Animation C1 ENERGY= 532.0 kJ/mol
Energy+ZPE= 517.0 kJ/mol ZPE= 0.0563072
CONNECTIONS:
o EQ70 o EQ73
[ TS529 ] Animation C1 ENERGY= 870.1 kJ/mol
Energy+ZPE= 839.2 kJ/mol ZPE= 0.0502777
CONNECTIONS:
o EQ70 o EQ106
[ TS530 ] Animation C1 ENERGY= 651.3 kJ/mol
Energy+ZPE= 621.6 kJ/mol ZPE= 0.0507230
CONNECTIONS:
o EQ70 o DDC183
[ TS531 ] Animation Cs ENERGY= 523.8 kJ/mol
Energy+ZPE= 511.4 kJ/mol ZPE= 0.0573130
CONNECTIONS:
o EQ71 o EQ71
[ TS532 ] Animation C1 ENERGY= 529.6 kJ/mol
Energy+ZPE= 513.6 kJ/mol ZPE= 0.0559453
CONNECTIONS:
o EQ71 o EQ72
[ TS533 ] Animation C1 ENERGY= 686.3 kJ/mol
Energy+ZPE= 671.3 kJ/mol ZPE= 0.0563379
CONNECTIONS:
o EQ71 o EQ84
[ TS534 ] Animation C1 ENERGY= 830.9 kJ/mol
Energy+ZPE= 793.2 kJ/mol ZPE= 0.0476914
CONNECTIONS:
o EQ71 o DDC184
[ TS535 ] Animation Cs ENERGY= 526.3 kJ/mol
Energy+ZPE= 510.1 kJ/mol ZPE= 0.0558497
CONNECTIONS:
o EQ72 o EQ72
[ TS536 ] Animation C1 ENERGY= 705.6 kJ/mol
Energy+ZPE= 689.7 kJ/mol ZPE= 0.0559724
CONNECTIONS:
o EQ72 o EQ87
[ TS537 ] Animation C1 ENERGY= 867.3 kJ/mol
Energy+ZPE= 840.3 kJ/mol ZPE= 0.0517474
CONNECTIONS:
o EQ72 o EQ103
[ TS538 ] Animation Cs ENERGY= 534.2 kJ/mol
Energy+ZPE= 520.2 kJ/mol ZPE= 0.0567184
CONNECTIONS:
o EQ73 o EQ73
[ TS539 ] Animation C1 ENERGY= 645.5 kJ/mol
Energy+ZPE= 624.1 kJ/mol ZPE= 0.0538919
CONNECTIONS:
o EQ73 o DDC185
[ TS540 ] Animation C1 ENERGY= 645.6 kJ/mol
Energy+ZPE= 624.2 kJ/mol ZPE= 0.0538848
CONNECTIONS:
o EQ73 o DDC186
[ TS541 ] Animation C1 ENERGY= 651.8 kJ/mol
Energy+ZPE= 622.4 kJ/mol ZPE= 0.0508522
CONNECTIONS:
o EQ73 o DDC187
[ TS542 ] Animation C1 ENERGY= 551.2 kJ/mol
Energy+ZPE= 533.5 kJ/mol ZPE= 0.0552962
CONNECTIONS:
o EQ74 o EQ74
[ TS543 ] Animation Cs ENERGY= 941.3 kJ/mol
Energy+ZPE= 920.7 kJ/mol ZPE= 0.0541894
CONNECTIONS:
o EQ74 o EQ109
[ TS544 ] Animation C1 ENERGY= 1010.4 kJ/mol
Energy+ZPE= 975.1 kJ/mol ZPE= 0.0485860
CONNECTIONS:
o EQ74 o EQ117
[ TS545 ] Animation C1 ENERGY= 553.3 kJ/mol
Energy+ZPE= 536.1 kJ/mol ZPE= 0.0554733
CONNECTIONS:
o EQ74 o DDC188
[ TS546 ] Animation Cs ENERGY= 564.5 kJ/mol
Energy+ZPE= 534.3 kJ/mol ZPE= 0.0505410
CONNECTIONS:
o EQ75 o EQ75
[ TS547 ] Animation C1 ENERGY= 567.3 kJ/mol
Energy+ZPE= 532.6 kJ/mol ZPE= 0.0488183
CONNECTIONS:
o EQ75 o DDC189
[ TS548 ] Animation C1 ENERGY= 570.3 kJ/mol
Energy+ZPE= 539.0 kJ/mol ZPE= 0.0500944
CONNECTIONS:
o EQ75 o DDC190
[ TS549 ] Animation Cs ENERGY= 639.1 kJ/mol
Energy+ZPE= 629.1 kJ/mol ZPE= 0.0582175
CONNECTIONS:
o EQ76 o EQ76
[ TS550 ] Animation C1 ENERGY= 634.5 kJ/mol
Energy+ZPE= 626.5 kJ/mol ZPE= 0.0589974
CONNECTIONS:
o EQ76 o EQ77
[ TS551 ] Animation C1 ENERGY= 633.4 kJ/mol
Energy+ZPE= 625.6 kJ/mol ZPE= 0.0590471
CONNECTIONS:
o EQ76 o EQ78
[ TS552 ] Animation C1 ENERGY= 767.6 kJ/mol
Energy+ZPE= 743.4 kJ/mol ZPE= 0.0528192
CONNECTIONS:
o EQ76 o EQ83
[ TS553 ] Animation C1 ENERGY= 847.9 kJ/mol
Energy+ZPE= 835.8 kJ/mol ZPE= 0.0574418
CONNECTIONS:
o EQ76 o EQ96
[ TS554 ] Animation C1 ENERGY= 868.9 kJ/mol
Energy+ZPE= 849.4 kJ/mol ZPE= 0.0546066
CONNECTIONS:
o EQ76 o EQ98
[ TS555 ] Animation C1 ENERGY= 871.5 kJ/mol
Energy+ZPE= 851.2 kJ/mol ZPE= 0.0542944
CONNECTIONS:
o EQ76 o EQ98
[ TS556 ] Animation C1 ENERGY= 688.9 kJ/mol
Energy+ZPE= 665.6 kJ/mol ZPE= 0.0531501
CONNECTIONS:
o EQ76 o DDC191
[ TS557 ] Animation Cs ENERGY= 641.9 kJ/mol
Energy+ZPE= 631.0 kJ/mol ZPE= 0.0578841
CONNECTIONS:
o EQ77 o EQ77
[ TS558 ] Animation C1 ENERGY= 624.2 kJ/mol
Energy+ZPE= 615.9 kJ/mol ZPE= 0.0588646
CONNECTIONS:
o EQ77 o EQ78
[ TS559 ] Animation C1 ENERGY= 927.7 kJ/mol
Energy+ZPE= 905.4 kJ/mol ZPE= 0.0535285
CONNECTIONS:
o EQ77 o EQ87
[ TS560 ] Animation C1 ENERGY= 933.9 kJ/mol
Energy+ZPE= 910.8 kJ/mol ZPE= 0.0532491
CONNECTIONS:
o EQ77 o EQ103
[ TS561 ] Animation C1 ENERGY= 911.0 kJ/mol
Energy+ZPE= 891.2 kJ/mol ZPE= 0.0544830
CONNECTIONS:
o EQ77 o EQ113
[ TS562 ] Animation C1 ENERGY= 922.1 kJ/mol
Energy+ZPE= 901.8 kJ/mol ZPE= 0.0542843
CONNECTIONS:
o EQ77 o EQ113
[ TS563 ] Animation C1 ENERGY= 1315.8 kJ/mol
Energy+ZPE= 1281.7 kJ/mol ZPE= 0.0490408
CONNECTIONS:
o EQ77 o DDC192
[ TS564 ] Animation C1 ENERGY= 743.0 kJ/mol
Energy+ZPE= 720.0 kJ/mol ZPE= 0.0532866
CONNECTIONS:
o EQ78 o EQ88
[ TS565 ] Animation C2v ENERGY= 730.0 kJ/mol
Energy+ZPE= 723.4 kJ/mol ZPE= 0.0595244
CONNECTIONS:
o EQ79 o EQ79
[ TS566 ] Animation Cs ENERGY= 733.3 kJ/mol
Energy+ZPE= 720.2 kJ/mol ZPE= 0.0570611
CONNECTIONS:
o EQ79 o EQ79
[ TS567 ] Animation C1 ENERGY= 756.1 kJ/mol
Energy+ZPE= 738.4 kJ/mol ZPE= 0.0552838
CONNECTIONS:
o EQ79 o EQ90
[ TS568 ] Animation C1 ENERGY= 975.9 kJ/mol
Energy+ZPE= 956.0 kJ/mol ZPE= 0.0544550
CONNECTIONS:
o EQ79 o EQ102
[ TS569 ] Animation C1 ENERGY= 982.5 kJ/mol
Energy+ZPE= 963.0 kJ/mol ZPE= 0.0546033
CONNECTIONS:
o EQ79 o EQ109
[ TS570 ] Animation C2 ENERGY= 902.8 kJ/mol
Energy+ZPE= 888.9 kJ/mol ZPE= 0.0567575
CONNECTIONS:
o EQ79 o EQ112
[ TS571 ] Animation C1 ENERGY= 963.7 kJ/mol
Energy+ZPE= 937.3 kJ/mol ZPE= 0.0519954
CONNECTIONS:
o EQ79 o EQ115
[ TS572 ] Animation C1 ENERGY= 646.4 kJ/mol
Energy+ZPE= 633.5 kJ/mol ZPE= 0.0571149
CONNECTIONS:
o EQ79 o DDC193
[ TS573 ] Animation C1 ENERGY= 740.6 kJ/mol
Energy+ZPE= 722.5 kJ/mol ZPE= 0.0551328
CONNECTIONS:
o EQ79 o DDC194
[ TS574 ] Animation C1 ENERGY= 912.5 kJ/mol
Energy+ZPE= 897.8 kJ/mol ZPE= 0.0564236
CONNECTIONS:
o EQ79 o DDC195
[ TS575 ] Animation C1 ENERGY= 1059.7 kJ/mol
Energy+ZPE= 1026.6 kJ/mol ZPE= 0.0494364
CONNECTIONS:
o EQ79 o DDC196
[ TS576 ] Animation C1 ENERGY= 635.5 kJ/mol
Energy+ZPE= 611.7 kJ/mol ZPE= 0.0529861
CONNECTIONS:
o EQ80 o DDC197
[ TS577 ] Animation Cs ENERGY= 666.5 kJ/mol
Energy+ZPE= 650.8 kJ/mol ZPE= 0.0560460
CONNECTIONS:
o EQ81 o EQ81
[ TS578 ] Animation Cs ENERGY= 702.7 kJ/mol
Energy+ZPE= 678.7 kJ/mol ZPE= 0.0528800
CONNECTIONS:
o EQ81 o EQ81
[ TS579 ] Animation Cs ENERGY= 737.7 kJ/mol
Energy+ZPE= 724.0 kJ/mol ZPE= 0.0568319
CONNECTIONS:
o EQ81 o EQ81
[ TS580 ] Animation C1 ENERGY= 737.6 kJ/mol
Energy+ZPE= 721.1 kJ/mol ZPE= 0.0557631
CONNECTIONS:
o EQ81 o DDC198
[ TS581 ] Animation C1 ENERGY= 764.5 kJ/mol
Energy+ZPE= 747.2 kJ/mol ZPE= 0.0554354
CONNECTIONS:
o EQ81 o DDC199
[ TS582 ] Animation Cs ENERGY= 674.9 kJ/mol
Energy+ZPE= 657.1 kJ/mol ZPE= 0.0552647
CONNECTIONS:
o EQ82 o EQ82
[ TS583 ] Animation C1 ENERGY= 690.8 kJ/mol
Energy+ZPE= 671.1 kJ/mol ZPE= 0.0545263
CONNECTIONS:
o EQ82 o EQ85
[ TS584 ] Animation C1 ENERGY= 807.9 kJ/mol
Energy+ZPE= 781.9 kJ/mol ZPE= 0.0521194
CONNECTIONS:
o EQ82 o DDC200
[ TS585 ] Animation C1 ENERGY= 713.8 kJ/mol
Energy+ZPE= 697.3 kJ/mol ZPE= 0.0557363
CONNECTIONS:
o EQ83 o DDC201
[ TS586 ] Animation Cs ENERGY= 835.3 kJ/mol
Energy+ZPE= 810.9 kJ/mol ZPE= 0.0527431
CONNECTIONS:
o EQ84 o EQ84
[ TS587 ] Animation C1 ENERGY= 824.7 kJ/mol
Energy+ZPE= 811.3 kJ/mol ZPE= 0.0569207
CONNECTIONS:
o EQ84 o EQ98
[ TS588 ] Animation Cs ENERGY= 702.9 kJ/mol
Energy+ZPE= 681.0 kJ/mol ZPE= 0.0537037
CONNECTIONS:
o EQ86 o EQ86
[ TS589 ] Animation C1 ENERGY= 766.2 kJ/mol
Energy+ZPE= 734.6 kJ/mol ZPE= 0.0499870
CONNECTIONS:
o EQ86 o DDC202
[ TS590 ] Animation Cs ENERGY= 822.6 kJ/mol
Energy+ZPE= 795.5 kJ/mol ZPE= 0.0516947
CONNECTIONS:
o EQ87 o EQ87
[ TS591 ] Animation C1 ENERGY= 854.7 kJ/mol
Energy+ZPE= 838.2 kJ/mol ZPE= 0.0557577
CONNECTIONS:
o EQ87 o EQ103
[ TS592 ] Animation C1 ENERGY= 831.7 kJ/mol
Energy+ZPE= 799.9 kJ/mol ZPE= 0.0499165
CONNECTIONS:
o EQ87 o DDC203
[ TS593 ] Animation C1 ENERGY= 898.3 kJ/mol
Energy+ZPE= 873.2 kJ/mol ZPE= 0.0524816
CONNECTIONS:
o EQ87 o DDC204
[ TS594 ] Animation C1 ENERGY= 726.8 kJ/mol
Energy+ZPE= 700.8 kJ/mol ZPE= 0.0521369
CONNECTIONS:
o EQ88 o EQ88
[ TS595 ] Animation C1 ENERGY= 728.8 kJ/mol
Energy+ZPE= 712.3 kJ/mol ZPE= 0.0557568
CONNECTIONS:
o EQ88 o DDC205
[ TS596 ] Animation C1 ENERGY= 731.2 kJ/mol
Energy+ZPE= 708.1 kJ/mol ZPE= 0.0532465
CONNECTIONS:
o EQ88 o DDC206
[ TS597 ] Animation C1 ENERGY= 742.2 kJ/mol
Energy+ZPE= 721.4 kJ/mol ZPE= 0.0541169
CONNECTIONS:
o EQ88 o DDC207
[ TS598 ] Animation C1 ENERGY= 751.0 kJ/mol
Energy+ZPE= 724.9 kJ/mol ZPE= 0.0520918
CONNECTIONS:
o EQ88 o DDC208
[ TS599 ] Animation C1 ENERGY= 758.0 kJ/mol
Energy+ZPE= 742.7 kJ/mol ZPE= 0.0561950
CONNECTIONS:
o EQ88 o DDC209
[ TS600 ] Animation C1 ENERGY= 729.6 kJ/mol
Energy+ZPE= 718.8 kJ/mol ZPE= 0.0579374
CONNECTIONS:
o EQ89 o EQ89
[ TS601 ] Animation Cs ENERGY= 922.3 kJ/mol
Energy+ZPE= 898.1 kJ/mol ZPE= 0.0528303
CONNECTIONS:
o EQ89 o EQ89
[ TS602 ] Animation C1 ENERGY= 864.1 kJ/mol
Energy+ZPE= 852.1 kJ/mol ZPE= 0.0574595
CONNECTIONS:
o EQ89 o EQ102
[ TS603 ] Animation C1 ENERGY= 930.8 kJ/mol
Energy+ZPE= 914.8 kJ/mol ZPE= 0.0559235
CONNECTIONS:
o EQ89 o EQ109
[ TS604 ] Animation C1 ENERGY= 739.5 kJ/mol
Energy+ZPE= 725.4 kJ/mol ZPE= 0.0566516
CONNECTIONS:
o EQ89 o DDC210
[ TS605 ] Animation C1 ENERGY= 727.7 kJ/mol
Energy+ZPE= 715.4 kJ/mol ZPE= 0.0573406
CONNECTIONS:
o EQ90 o DDC211
[ TS606 ] Animation C1 ENERGY= 1024.4 kJ/mol
Energy+ZPE= 1000.4 kJ/mol ZPE= 0.0528981
CONNECTIONS:
o EQ90 o DDC212
[ TS607 ] Animation C1 ENERGY= 782.2 kJ/mol
Energy+ZPE= 765.4 kJ/mol ZPE= 0.0556532
CONNECTIONS:
o EQ91 o DDC213
[ TS608 ] Animation C1 ENERGY= 784.0 kJ/mol
Energy+ZPE= 767.2 kJ/mol ZPE= 0.0556256
CONNECTIONS:
o EQ91 o DDC214
[ TS609 ] Animation C1 ENERGY= 898.2 kJ/mol
Energy+ZPE= 862.8 kJ/mol ZPE= 0.0485608
CONNECTIONS:
o EQ91 o DDC215
[ TS610 ] Animation C1 ENERGY= 749.0 kJ/mol
Energy+ZPE= 737.0 kJ/mol ZPE= 0.0574501
CONNECTIONS:
o EQ92 o EQ92
[ TS611 ] Animation Cs ENERGY= 860.1 kJ/mol
Energy+ZPE= 840.0 kJ/mol ZPE= 0.0543774
CONNECTIONS:
o EQ92 o EQ92
[ TS612 ] Animation C1 ENERGY= 909.0 kJ/mol
Energy+ZPE= 894.0 kJ/mol ZPE= 0.0563139
CONNECTIONS:
o EQ92 o EQ102
[ TS613 ] Animation C1 ENERGY= 901.3 kJ/mol
Energy+ZPE= 886.8 kJ/mol ZPE= 0.0565200
CONNECTIONS:
o EQ92 o EQ109
[ TS614 ] Animation C1 ENERGY= 904.5 kJ/mol
Energy+ZPE= 881.7 kJ/mol ZPE= 0.0533493
CONNECTIONS:
o EQ92 o DDC216
[ TS615 ] Animation Cs ENERGY= 750.5 kJ/mol
Energy+ZPE= 731.9 kJ/mol ZPE= 0.0549521
CONNECTIONS:
o EQ93 o EQ93
[ TS616 ] Animation C1 ENERGY= 770.0 kJ/mol
Energy+ZPE= 738.2 kJ/mol ZPE= 0.0499284
CONNECTIONS:
o EQ93 o DDC217
[ TS617 ] Animation C1 ENERGY= 776.9 kJ/mol
Energy+ZPE= 747.4 kJ/mol ZPE= 0.0507886
CONNECTIONS:
o EQ93 o DDC218
[ TS618 ] Animation C1 ENERGY= 750.9 kJ/mol
Energy+ZPE= 729.4 kJ/mol ZPE= 0.0538561
CONNECTIONS:
o EQ94 o DDC219
[ TS619 ] Animation C1 ENERGY= 751.7 kJ/mol
Energy+ZPE= 730.1 kJ/mol ZPE= 0.0537976
CONNECTIONS:
o EQ94 o DDC220
[ TS620 ] Animation C1 ENERGY= 768.8 kJ/mol
Energy+ZPE= 740.7 kJ/mol ZPE= 0.0513234
CONNECTIONS:
o EQ94 o DDC221
[ TS621 ] Animation C1 ENERGY= 823.5 kJ/mol
Energy+ZPE= 796.4 kJ/mol ZPE= 0.0517090
CONNECTIONS:
o EQ94 o DDC222
[ TS622 ] Animation C1 ENERGY= 861.6 kJ/mol
Energy+ZPE= 830.2 kJ/mol ZPE= 0.0500893
CONNECTIONS:
o EQ94 o DDC223
[ TS623 ] Animation C1 ENERGY= 761.8 kJ/mol
Energy+ZPE= 739.8 kJ/mol ZPE= 0.0536695
CONNECTIONS:
o EQ95 o EQ95
[ TS624 ] Animation C1 ENERGY= 749.6 kJ/mol
Energy+ZPE= 723.9 kJ/mol ZPE= 0.0522549
CONNECTIONS:
o EQ95 o DDC224
[ TS625 ] Animation C1 ENERGY= 752.9 kJ/mol
Energy+ZPE= 731.5 kJ/mol ZPE= 0.0538987
CONNECTIONS:
o EQ95 o DDC225
[ TS626 ] Animation C1 ENERGY= 758.3 kJ/mol
Energy+ZPE= 735.0 kJ/mol ZPE= 0.0531562
CONNECTIONS:
o EQ95 o DDC226
[ TS627 ] Animation C1 ENERGY= 768.6 kJ/mol
Energy+ZPE= 745.0 kJ/mol ZPE= 0.0530554
CONNECTIONS:
o EQ95 o DDC227
[ TS628 ] Animation C1 ENERGY= 831.5 kJ/mol
Energy+ZPE= 802.7 kJ/mol ZPE= 0.0510670
CONNECTIONS:
o EQ95 o DDC228
[ TS629 ] Animation C1 ENERGY= 764.4 kJ/mol
Energy+ZPE= 755.5 kJ/mol ZPE= 0.0586627
CONNECTIONS:
o EQ96 o EQ97
[ TS630 ] Animation Cs ENERGY= 773.0 kJ/mol
Energy+ZPE= 761.5 kJ/mol ZPE= 0.0576460
CONNECTIONS:
o EQ98 o EQ98
[ TS631 ] Animation C1 ENERGY= 1020.1 kJ/mol
Energy+ZPE= 1002.3 kJ/mol ZPE= 0.0552362
CONNECTIONS:
o EQ98 o EQ103
[ TS632 ] Animation C1 ENERGY= 843.0 kJ/mol
Energy+ZPE= 820.2 kJ/mol ZPE= 0.0533565
CONNECTIONS:
o EQ98 o DDC229
[ TS633 ] Animation C1 ENERGY= 799.6 kJ/mol
Energy+ZPE= 776.6 kJ/mol ZPE= 0.0532620
CONNECTIONS:
o EQ99 o EQ99
[ TS634 ] Animation C1 ENERGY= 786.8 kJ/mol
Energy+ZPE= 766.9 kJ/mol ZPE= 0.0544501
CONNECTIONS:
o EQ99 o EQ100
[ TS635 ] Animation C1 ENERGY= 848.7 kJ/mol
Energy+ZPE= 830.0 kJ/mol ZPE= 0.0549055
CONNECTIONS:
o EQ99 o EQ104
[ TS636 ] Animation C1 ENERGY= 850.8 kJ/mol
Energy+ZPE= 831.9 kJ/mol ZPE= 0.0548258
CONNECTIONS:
o EQ99 o EQ106
[ TS637 ] Animation C1 ENERGY= 789.1 kJ/mol
Energy+ZPE= 770.2 kJ/mol ZPE= 0.0548377
CONNECTIONS:
o EQ99 o DDC230
[ TS638 ] Animation Cs ENERGY= 961.7 kJ/mol
Energy+ZPE= 948.6 kJ/mol ZPE= 0.0570256
CONNECTIONS:
o EQ101 o EQ107
[ TS639 ] Animation Cs ENERGY= 859.9 kJ/mol
Energy+ZPE= 847.3 kJ/mol ZPE= 0.0572207
CONNECTIONS:
o EQ101 o EQ108
[ TS640 ] Animation C2 ENERGY= 809.1 kJ/mol
Energy+ZPE= 798.0 kJ/mol ZPE= 0.0577902
CONNECTIONS:
o EQ101 o DDC231
[ TS641 ] Animation Cs ENERGY= 816.7 kJ/mol
Energy+ZPE= 807.2 kJ/mol ZPE= 0.0584271
CONNECTIONS:
o EQ102 o EQ102
[ TS642 ] Animation Cs ENERGY= 1043.8 kJ/mol
Energy+ZPE= 1028.0 kJ/mol ZPE= 0.0560054
CONNECTIONS:
o EQ102 o EQ109
[ TS643 ] Animation Cs ENERGY= 1016.4 kJ/mol
Energy+ZPE= 989.8 kJ/mol ZPE= 0.0519178
CONNECTIONS:
o EQ102 o EQ115
[ TS644 ] Animation Cs ENERGY= 978.5 kJ/mol
Energy+ZPE= 949.1 kJ/mol ZPE= 0.0508308
CONNECTIONS:
o EQ102 o EQ116
[ TS645 ] Animation C1 ENERGY= 1256.0 kJ/mol
Energy+ZPE= 1217.4 kJ/mol ZPE= 0.0473134
CONNECTIONS:
o EQ102 o DDC232
[ TS646 ] Animation C1 ENERGY= 1279.1 kJ/mol
Energy+ZPE= 1235.9 kJ/mol ZPE= 0.0455658
CONNECTIONS:
o EQ102 o DDC233
[ TS647 ] Animation Cs ENERGY= 821.9 kJ/mol
Energy+ZPE= 807.4 kJ/mol ZPE= 0.0565098
CONNECTIONS:
o EQ103 o EQ103
[ TS648 ] Animation Cs ENERGY= 920.9 kJ/mol
Energy+ZPE= 887.0 kJ/mol ZPE= 0.0491177
CONNECTIONS:
o EQ103 o DDC234
[ TS649 ] Animation C1 ENERGY= 1152.1 kJ/mol
Energy+ZPE= 1116.8 kJ/mol ZPE= 0.0485783
CONNECTIONS:
o EQ103 o DDC235
[ TS650 ] Animation Ci ENERGY= 851.3 kJ/mol
Energy+ZPE= 827.5 kJ/mol ZPE= 0.0529829
CONNECTIONS:
o EQ104 o EQ104
[ TS651 ] Animation C1 ENERGY= 836.3 kJ/mol
Energy+ZPE= 819.0 kJ/mol ZPE= 0.0554346
CONNECTIONS:
o EQ104 o EQ106
[ TS652 ] Animation C1 ENERGY= 843.4 kJ/mol
Energy+ZPE= 824.9 kJ/mol ZPE= 0.0549767
CONNECTIONS:
o EQ104 o EQ106
[ TS653 ] Animation C1 ENERGY= 860.3 kJ/mol
Energy+ZPE= 840.7 kJ/mol ZPE= 0.0545655
CONNECTIONS:
o EQ104 o EQ106
[ TS654 ] Animation C1 ENERGY= 992.6 kJ/mol
Energy+ZPE= 957.4 kJ/mol ZPE= 0.0486336
CONNECTIONS:
o EQ104 o DDC236
[ TS655 ] Animation Ci ENERGY= 833.8 kJ/mol
Energy+ZPE= 824.3 kJ/mol ZPE= 0.0584146
CONNECTIONS:
o EQ105 o EQ105
[ TS656 ] Animation C1 ENERGY= 882.9 kJ/mol
Energy+ZPE= 868.1 kJ/mol ZPE= 0.0563974
CONNECTIONS:
o EQ105 o EQ107
[ TS657 ] Animation C1 ENERGY= 887.6 kJ/mol
Energy+ZPE= 873.5 kJ/mol ZPE= 0.0566448
CONNECTIONS:
o EQ105 o EQ107
[ TS658 ] Animation C1 ENERGY= 993.8 kJ/mol
Energy+ZPE= 981.2 kJ/mol ZPE= 0.0572425
CONNECTIONS:
o EQ105 o EQ108
[ TS659 ] Animation C1 ENERGY= 838.8 kJ/mol
Energy+ZPE= 826.3 kJ/mol ZPE= 0.0572694
CONNECTIONS:
o EQ105 o DDC237
[ TS660 ] Animation C1 ENERGY= 844.8 kJ/mol
Energy+ZPE= 830.7 kJ/mol ZPE= 0.0566538
CONNECTIONS:
o EQ105 o DDC238
[ TS661 ] Animation Cs ENERGY= 999.3 kJ/mol
Energy+ZPE= 978.7 kJ/mol ZPE= 0.0541919
CONNECTIONS:
o EQ107 o EQ110
[ TS662 ] Animation C1 ENERGY= 840.5 kJ/mol
Energy+ZPE= 826.8 kJ/mol ZPE= 0.0568347
CONNECTIONS:
o EQ107 o DDC239
[ TS663 ] Animation Cs ENERGY= 900.5 kJ/mol
Energy+ZPE= 885.9 kJ/mol ZPE= 0.0564663
CONNECTIONS:
o EQ108 o EQ111
[ TS664 ] Animation C1 ENERGY= 848.0 kJ/mol
Energy+ZPE= 834.0 kJ/mol ZPE= 0.0566929
CONNECTIONS:
o EQ108 o DDC240
[ TS665 ] Animation C1 ENERGY= 848.5 kJ/mol
Energy+ZPE= 834.6 kJ/mol ZPE= 0.0567424
CONNECTIONS:
o EQ108 o DDC241
[ TS666 ] Animation Cs ENERGY= 1165.8 kJ/mol
Energy+ZPE= 1129.8 kJ/mol ZPE= 0.0483114
CONNECTIONS:
o EQ108 o DDC242
[ TS667 ] Animation Cs ENERGY= 855.3 kJ/mol
Energy+ZPE= 843.7 kJ/mol ZPE= 0.0576118
CONNECTIONS:
o EQ109 o EQ109
[ TS668 ] Animation Cs ENERGY= 1001.0 kJ/mol
Energy+ZPE= 970.6 kJ/mol ZPE= 0.0504706
CONNECTIONS:
o EQ109 o EQ117
[ TS669 ] Animation Cs ENERGY= 1004.6 kJ/mol
Energy+ZPE= 980.3 kJ/mol ZPE= 0.0527821
CONNECTIONS:
o EQ109 o DDC243
[ TS670 ] Animation C1 ENERGY= 1283.3 kJ/mol
Energy+ZPE= 1242.7 kJ/mol ZPE= 0.0465530
CONNECTIONS:
o EQ109 o DDC244
[ TS671 ] Animation C1 ENERGY= 1296.8 kJ/mol
Energy+ZPE= 1254.5 kJ/mol ZPE= 0.0459300
CONNECTIONS:
o EQ109 o DDC245
[ TS672 ] Animation C2v ENERGY= 890.1 kJ/mol
Energy+ZPE= 875.7 kJ/mol ZPE= 0.0565545
CONNECTIONS:
o EQ110 o EQ111
[ TS673 ] Animation C2 ENERGY= 884.5 kJ/mol
Energy+ZPE= 867.2 kJ/mol ZPE= 0.0554415
CONNECTIONS:
o EQ110 o DDC246
[ TS674 ] Animation C1 ENERGY= 983.2 kJ/mol
Energy+ZPE= 948.9 kJ/mol ZPE= 0.0489764
CONNECTIONS:
o EQ110 o DDC247
[ TS675 ] Animation C2v ENERGY= 1160.8 kJ/mol
Energy+ZPE= 1125.0 kJ/mol ZPE= 0.0483994
CONNECTIONS:
o EQ111 o DDC248
[ TS676 ] Animation C1 ENERGY= 894.1 kJ/mol
Energy+ZPE= 874.6 kJ/mol ZPE= 0.0546218
CONNECTIONS:
o EQ112 o EQ112
[ TS677 ] Animation Cs ENERGY= 977.9 kJ/mol
Energy+ZPE= 953.0 kJ/mol ZPE= 0.0525395
CONNECTIONS:
o EQ112 o EQ112
[ TS678 ] Animation C1 ENERGY= 942.9 kJ/mol
Energy+ZPE= 923.7 kJ/mol ZPE= 0.0547033
CONNECTIONS:
o EQ112 o EQ115
[ TS679 ] Animation C1 ENERGY= 972.6 kJ/mol
Energy+ZPE= 955.5 kJ/mol ZPE= 0.0555122
CONNECTIONS:
o EQ112 o DDC249
[ TS680 ] Animation Cs ENERGY= 952.0 kJ/mol
Energy+ZPE= 929.7 kJ/mol ZPE= 0.0535478
CONNECTIONS:
o EQ113 o EQ113
[ TS681 ] Animation C1 ENERGY= 907.2 kJ/mol
Energy+ZPE= 883.4 kJ/mol ZPE= 0.0529861
CONNECTIONS:
o EQ113 o DDC250
[ TS682 ] Animation C1 ENERGY= 940.6 kJ/mol
Energy+ZPE= 914.4 kJ/mol ZPE= 0.0520494
CONNECTIONS:
o EQ114 o DDC251
[ TS683 ] Animation C1 ENERGY= 943.0 kJ/mol
Energy+ZPE= 916.9 kJ/mol ZPE= 0.0520913
CONNECTIONS:
o EQ114 o DDC252
[ TS684 ] Animation C1 ENERGY= 1020.9 kJ/mol
Energy+ZPE= 989.5 kJ/mol ZPE= 0.0500911
CONNECTIONS:
o EQ114 o DDC253
[ TS685 ] Animation C1 ENERGY= 970.1 kJ/mol
Energy+ZPE= 940.7 kJ/mol ZPE= 0.0508335
CONNECTIONS:
o EQ115 o DDC254
[ TS686 ] Animation C1 ENERGY= 965.2 kJ/mol
Energy+ZPE= 939.5 kJ/mol ZPE= 0.0522300
CONNECTIONS:
o EQ116 o DDC255
[ TS687 ] Animation C1 ENERGY= 971.3 kJ/mol
Energy+ZPE= 935.6 kJ/mol ZPE= 0.0484297
CONNECTIONS:
o EQ116 o DDC256
[ TS688 ] Animation C1 ENERGY= 978.2 kJ/mol
Energy+ZPE= 948.7 kJ/mol ZPE= 0.0507867
CONNECTIONS:
o EQ116 o DDC257
[ TS689 ] Animation C1 ENERGY= 1002.3 kJ/mol
Energy+ZPE= 979.9 kJ/mol ZPE= 0.0534881
CONNECTIONS:
o EQ117 o DDC258
[ TS690 ] Animation C1 ENERGY= 1013.6 kJ/mol
Energy+ZPE= 988.0 kJ/mol ZPE= 0.0522964
CONNECTIONS:
o EQ117 o DDC259
[ TS691 ] Animation C1 ENERGY= 181.1 kJ/mol
Energy+ZPE= 161.9 kJ/mol ZPE= 0.0547185
CONNECTIONS:
o DDC261 o DDC260
[ TS692 ] Animation C1 ENERGY= 197.5 kJ/mol
Energy+ZPE= 180.0 kJ/mol ZPE= 0.0553772
CONNECTIONS:
o DDC263 o DDC262
[ TS693 ] Animation C1 ENERGY= 202.8 kJ/mol
Energy+ZPE= 183.1 kJ/mol ZPE= 0.0545409
CONNECTIONS:
o DDC265 o DDC264
[ TS694 ] Animation Cs ENERGY= 342.3 kJ/mol
Energy+ZPE= 314.6 kJ/mol ZPE= 0.0514759
CONNECTIONS:
o DDC267 o DDC266
[ TS695 ] Animation C1 ENERGY= 356.1 kJ/mol
Energy+ZPE= 337.1 kJ/mol ZPE= 0.0547907
CONNECTIONS:
o DDC269 o DDC268
[ TS696 ] Animation Cs ENERGY= 423.1 kJ/mol
Energy+ZPE= 394.9 kJ/mol ZPE= 0.0512764
CONNECTIONS:
o DDC271 o DDC270
[ TS697 ] Animation C1 ENERGY= 437.3 kJ/mol
Energy+ZPE= 419.6 kJ/mol ZPE= 0.0552933
CONNECTIONS:
o DDC273 o DDC272
[ TS698 ] Animation C1 ENERGY= 454.8 kJ/mol
Energy+ZPE= 434.4 kJ/mol ZPE= 0.0542798
CONNECTIONS:
o DDC275 o DDC274
[ TS699 ] Animation C1 ENERGY= 459.5 kJ/mol
Energy+ZPE= 437.1 kJ/mol ZPE= 0.0534887
CONNECTIONS:
o DDC277 o DDC276
[ TS700 ] Animation C1 ENERGY= 466.2 kJ/mol
Energy+ZPE= 446.0 kJ/mol ZPE= 0.0543292
CONNECTIONS:
o DDC279 o DDC278
[ TS701 ] Animation Cs ENERGY= 469.4 kJ/mol
Energy+ZPE= 447.4 kJ/mol ZPE= 0.0536380
CONNECTIONS:
o DDC281 o DDC280
[ TS702 ] Animation C1 ENERGY= 496.8 kJ/mol
Energy+ZPE= 475.1 kJ/mol ZPE= 0.0537575
CONNECTIONS:
o DDC283 o DDC282
[ TS703 ] Animation C1 ENERGY= 504.2 kJ/mol
Energy+ZPE= 481.2 kJ/mol ZPE= 0.0532728
CONNECTIONS:
o DDC285 o DDC284
[ TS704 ] Animation C1 ENERGY= 519.5 kJ/mol
Energy+ZPE= 493.3 kJ/mol ZPE= 0.0520679
CONNECTIONS:
o DDC287 o DDC286
[ TS705 ] Animation C1 ENERGY= 520.8 kJ/mol
Energy+ZPE= 492.4 kJ/mol ZPE= 0.0512167
CONNECTIONS:
o DDC289 o DDC288
[ TS706 ] Animation C1 ENERGY= 536.7 kJ/mol
Energy+ZPE= 518.8 kJ/mol ZPE= 0.0552024
CONNECTIONS:
o DDC291 o DDC290
[ TS707 ] Animation C1 ENERGY= 544.3 kJ/mol
Energy+ZPE= 522.5 kJ/mol ZPE= 0.0537232
CONNECTIONS:
o DDC293 o DDC292
[ TS708 ] Animation C1 ENERGY= 546.2 kJ/mol
Energy+ZPE= 524.5 kJ/mol ZPE= 0.0537745
CONNECTIONS:
o DDC295 o DDC294
[ TS709 ] Animation C1 ENERGY= 547.3 kJ/mol
Energy+ZPE= 521.7 kJ/mol ZPE= 0.0522765
CONNECTIONS:
o DDC297 o DDC296
[ TS710 ] Animation C1 ENERGY= 551.1 kJ/mol
Energy+ZPE= 518.0 kJ/mol ZPE= 0.0494408
CONNECTIONS:
o DDC299 o DDC298
[ TS711 ] Animation C1 ENERGY= 552.6 kJ/mol
Energy+ZPE= 530.1 kJ/mol ZPE= 0.0534543
CONNECTIONS:
o DDC301 o DDC300
[ TS712 ] Animation C1 ENERGY= 554.8 kJ/mol
Energy+ZPE= 533.0 kJ/mol ZPE= 0.0537297
CONNECTIONS:
o DDC303 o DDC302
[ TS713 ] Animation C1 ENERGY= 561.0 kJ/mol
Energy+ZPE= 519.1 kJ/mol ZPE= 0.0460810
CONNECTIONS:
o DDC305 o DDC304
[ TS714 ] Animation C1 ENERGY= 566.3 kJ/mol
Energy+ZPE= 534.5 kJ/mol ZPE= 0.0499383
CONNECTIONS:
o DDC307 o DDC306
[ TS715 ] Animation C1 ENERGY= 568.0 kJ/mol
Energy+ZPE= 536.7 kJ/mol ZPE= 0.0501303
CONNECTIONS:
o DDC309 o DDC308
[ TS716 ] Animation C1 ENERGY= 572.3 kJ/mol
Energy+ZPE= 551.8 kJ/mol ZPE= 0.0542387
CONNECTIONS:
o DDC311 o DDC310
[ TS717 ] Animation Cs ENERGY= 573.7 kJ/mol
Energy+ZPE= 543.5 kJ/mol ZPE= 0.0505369
CONNECTIONS:
o DDC313 o DDC312
[ TS718 ] Animation C1 ENERGY= 578.2 kJ/mol
Energy+ZPE= 555.3 kJ/mol ZPE= 0.0533111
CONNECTIONS:
o DDC315 o DDC314
[ TS719 ] Animation C1 ENERGY= 582.8 kJ/mol
Energy+ZPE= 545.6 kJ/mol ZPE= 0.0478613
CONNECTIONS:
o DDC317 o DDC316
[ TS720 ] Animation C1 ENERGY= 590.3 kJ/mol
Energy+ZPE= 569.9 kJ/mol ZPE= 0.0542818
CONNECTIONS:
o DDC319 o DDC318
[ TS721 ] Animation C1 ENERGY= 591.5 kJ/mol
Energy+ZPE= 564.7 kJ/mol ZPE= 0.0518231
CONNECTIONS:
o DDC321 o DDC320
[ TS722 ] Animation C1 ENERGY= 596.4 kJ/mol
Energy+ZPE= 561.9 kJ/mol ZPE= 0.0488755
CONNECTIONS:
o DDC323 o DDC322
[ TS723 ] Animation C1 ENERGY= 600.2 kJ/mol
Energy+ZPE= 565.9 kJ/mol ZPE= 0.0489603
CONNECTIONS:
o DDC325 o DDC324
[ TS724 ] Animation C2v ENERGY= 614.4 kJ/mol
Energy+ZPE= 585.3 kJ/mol ZPE= 0.0509640
CONNECTIONS:
o DDC327 o DDC326
[ TS725 ] Animation Cs ENERGY= 620.7 kJ/mol
Energy+ZPE= 592.9 kJ/mol ZPE= 0.0514596
CONNECTIONS:
o DDC329 o DDC328
[ TS726 ] Animation Cs ENERGY= 632.0 kJ/mol
Energy+ZPE= 615.0 kJ/mol ZPE= 0.0555616
CONNECTIONS:
o DDC331 o DDC330
[ TS727 ] Animation C1 ENERGY= 644.6 kJ/mol
Energy+ZPE= 591.7 kJ/mol ZPE= 0.0418793
CONNECTIONS:
o DDC333 o DDC332
[ TS728 ] Animation Cs ENERGY= 649.8 kJ/mol
Energy+ZPE= 631.0 kJ/mol ZPE= 0.0548609
CONNECTIONS:
o DDC335 o DDC334
[ TS729 ] Animation Cs ENERGY= 653.8 kJ/mol
Energy+ZPE= 634.6 kJ/mol ZPE= 0.0547025
CONNECTIONS:
o DDC337 o DDC336
[ TS730 ] Animation C1 ENERGY= 658.2 kJ/mol
Energy+ZPE= 635.1 kJ/mol ZPE= 0.0532528
CONNECTIONS:
o DDC339 o DDC338
[ TS731 ] Animation C1 ENERGY= 662.5 kJ/mol
Energy+ZPE= 633.1 kJ/mol ZPE= 0.0508331
CONNECTIONS:
o DDC341 o DDC340
[ TS732 ] Animation C1 ENERGY= 664.5 kJ/mol
Energy+ZPE= 647.6 kJ/mol ZPE= 0.0555807
CONNECTIONS:
o DDC343 o DDC342
[ TS733 ] Animation C1 ENERGY= 669.4 kJ/mol
Energy+ZPE= 648.7 kJ/mol ZPE= 0.0541518
CONNECTIONS:
o DDC345 o DDC344
[ TS734 ] Animation C1 ENERGY= 676.8 kJ/mol
Energy+ZPE= 645.9 kJ/mol ZPE= 0.0502514
CONNECTIONS:
o DDC347 o DDC346
[ TS735 ] Animation C1 ENERGY= 684.6 kJ/mol
Energy+ZPE= 654.4 kJ/mol ZPE= 0.0505452
CONNECTIONS:
o DDC349 o DDC348
[ TS736 ] Animation C1 ENERGY= 688.3 kJ/mol
Energy+ZPE= 668.0 kJ/mol ZPE= 0.0542956
CONNECTIONS:
o DDC351 o DDC350
[ TS737 ] Animation C1 ENERGY= 705.5 kJ/mol
Energy+ZPE= 687.8 kJ/mol ZPE= 0.0553032
CONNECTIONS:
o DDC353 o DDC352
[ TS738 ] Animation C1 ENERGY= 706.0 kJ/mol
Energy+ZPE= 683.7 kJ/mol ZPE= 0.0535328
CONNECTIONS:
o DDC355 o DDC354
[ TS739 ] Animation C1 ENERGY= 706.9 kJ/mol
Energy+ZPE= 684.4 kJ/mol ZPE= 0.0534700
CONNECTIONS:
o DDC357 o DDC356
[ TS740 ] Animation C1 ENERGY= 707.1 kJ/mol
Energy+ZPE= 684.1 kJ/mol ZPE= 0.0532682
CONNECTIONS:
o DDC359 o DDC358
[ TS741 ] Animation Ci ENERGY= 715.3 kJ/mol
Energy+ZPE= 691.6 kJ/mol ZPE= 0.0530228
CONNECTIONS:
o DDC361 o DDC360
[ TS742 ] Animation Ci ENERGY= 723.8 kJ/mol
Energy+ZPE= 698.7 kJ/mol ZPE= 0.0524896
CONNECTIONS:
o DDC363 o DDC362
[ TS743 ] Animation C1 ENERGY= 730.3 kJ/mol
Energy+ZPE= 691.0 kJ/mol ZPE= 0.0470535
CONNECTIONS:
o DDC365 o DDC364
[ TS744 ] Animation C1 ENERGY= 738.0 kJ/mol
Energy+ZPE= 698.3 kJ/mol ZPE= 0.0469278
CONNECTIONS:
o DDC367 o DDC366
[ TS745 ] Animation C2 ENERGY= 739.6 kJ/mol
Energy+ZPE= 701.3 kJ/mol ZPE= 0.0474517
CONNECTIONS:
o DDC369 o DDC368
[ TS746 ] Animation C1 ENERGY= 744.9 kJ/mol
Energy+ZPE= 719.4 kJ/mol ZPE= 0.0523034
CONNECTIONS:
o DDC371 o DDC370
[ TS747 ] Animation C1 ENERGY= 750.9 kJ/mol
Energy+ZPE= 716.5 kJ/mol ZPE= 0.0489359
CONNECTIONS:
o DDC373 o DDC372
[ TS748 ] Animation C1 ENERGY= 766.4 kJ/mol
Energy+ZPE= 737.3 kJ/mol ZPE= 0.0509581
CONNECTIONS:
o DDC375 o DDC374
[ TS749 ] Animation C1 ENERGY= 767.5 kJ/mol
Energy+ZPE= 742.1 kJ/mol ZPE= 0.0523491
CONNECTIONS:
o DDC377 o DDC376
[ TS750 ] Animation C1 ENERGY= 771.2 kJ/mol
Energy+ZPE= 744.5 kJ/mol ZPE= 0.0518768
CONNECTIONS:
o DDC379 o DDC378
[ TS751 ] Animation C1 ENERGY= 776.8 kJ/mol
Energy+ZPE= 747.7 kJ/mol ZPE= 0.0509358
CONNECTIONS:
o DDC381 o DDC380
[ TS752 ] Animation C1 ENERGY= 776.9 kJ/mol
Energy+ZPE= 750.0 kJ/mol ZPE= 0.0517972
CONNECTIONS:
o DDC383 o DDC382
[ TS753 ] Animation C1 ENERGY= 777.6 kJ/mol
Energy+ZPE= 760.8 kJ/mol ZPE= 0.0556336
CONNECTIONS:
o DDC385 o DDC384
[ TS754 ] Animation C1 ENERGY= 784.8 kJ/mol
Energy+ZPE= 755.0 kJ/mol ZPE= 0.0506850
CONNECTIONS:
o DDC387 o DDC386
[ TS755 ] Animation C1 ENERGY= 785.1 kJ/mol
Energy+ZPE= 756.8 kJ/mol ZPE= 0.0512581
CONNECTIONS:
o DDC389 o DDC388
[ TS756 ] Animation C1 ENERGY= 790.8 kJ/mol
Energy+ZPE= 768.0 kJ/mol ZPE= 0.0533393
CONNECTIONS:
o DDC391 o DDC390
[ TS757 ] Animation C1 ENERGY= 821.5 kJ/mol
Energy+ZPE= 800.9 kJ/mol ZPE= 0.0542000
CONNECTIONS:
o DDC393 o DDC392
[ TS758 ] Animation C1 ENERGY= 821.7 kJ/mol
Energy+ZPE= 789.9 kJ/mol ZPE= 0.0499273
CONNECTIONS:
o DDC395 o DDC394
[ TS759 ] Animation C2h ENERGY= 848.9 kJ/mol
Energy+ZPE= 790.1 kJ/mol ZPE= 0.0396341
CONNECTIONS:
o DDC397 o DDC396
[ TS760 ] Animation C1 ENERGY= 866.4 kJ/mol
Energy+ZPE= 838.0 kJ/mol ZPE= 0.0511994
CONNECTIONS:
o DDC399 o DDC398
[ TS761 ] Animation C1 ENERGY= 884.5 kJ/mol
Energy+ZPE= 858.7 kJ/mol ZPE= 0.0522073
CONNECTIONS:
o DDC401 o DDC400
[ TS762 ] Animation C1 ENERGY= 885.6 kJ/mol
Energy+ZPE= 856.8 kJ/mol ZPE= 0.0510693
CONNECTIONS:
o DDC403 o DDC402
[ TS763 ] Animation C1 ENERGY= 889.7 kJ/mol
Energy+ZPE= 866.3 kJ/mol ZPE= 0.0531342
CONNECTIONS:
o DDC405 o DDC404
[ TS764 ] Animation C1 ENERGY= 891.0 kJ/mol
Energy+ZPE= 864.8 kJ/mol ZPE= 0.0520376
CONNECTIONS:
o DDC407 o DDC406
[ TS765 ] Animation C1 ENERGY= 897.5 kJ/mol
Energy+ZPE= 870.3 kJ/mol ZPE= 0.0516655
CONNECTIONS:
o DDC409 o DDC408
[ TS766 ] Animation C1 ENERGY= 901.2 kJ/mol
Energy+ZPE= 865.6 kJ/mol ZPE= 0.0484561
CONNECTIONS:
o DDC411 o DDC410
[ TS767 ] Animation C1 ENERGY= 905.3 kJ/mol
Energy+ZPE= 870.6 kJ/mol ZPE= 0.0488331
CONNECTIONS:
o DDC413 o DDC412
[ TS768 ] Animation C1 ENERGY= 955.9 kJ/mol
Energy+ZPE= 941.6 kJ/mol ZPE= 0.0565804
CONNECTIONS:
o DDC415 o DDC414
[ TS769 ] Animation C1 ENERGY= 968.4 kJ/mol
Energy+ZPE= 936.7 kJ/mol ZPE= 0.0499739
CONNECTIONS:
o DDC417 o DDC416
[ TS770 ] Animation C1 ENERGY= 970.9 kJ/mol
Energy+ZPE= 933.4 kJ/mol ZPE= 0.0477634
CONNECTIONS:
o DDC419 o DDC418
[ TS771 ] Animation C1 ENERGY= 988.7 kJ/mol
Energy+ZPE= 961.7 kJ/mol ZPE= 0.0517458
CONNECTIONS:
o DDC421 o DDC420
[ TS772 ] Animation C1 ENERGY= 996.4 kJ/mol
Energy+ZPE= 961.1 kJ/mol ZPE= 0.0486075
CONNECTIONS:
o DDC423 o DDC422
[ TS773 ] Animation C1 ENERGY= 1011.1 kJ/mol
Energy+ZPE= 985.4 kJ/mol ZPE= 0.0522308
CONNECTIONS:
o DDC425 o DDC424
[ TS774 ] Animation C1 ENERGY= 1028.1 kJ/mol
Energy+ZPE= 989.6 kJ/mol ZPE= 0.0473789
CONNECTIONS:
o DDC427 o DDC426
[ TS775 ] Animation C1 ENERGY= 1038.5 kJ/mol
Energy+ZPE= 999.9 kJ/mol ZPE= 0.0473368
CONNECTIONS:
o DDC429 o DDC428
[ TS776 ] Animation C1 ENERGY= 1042.2 kJ/mol
Energy+ZPE= 997.3 kJ/mol ZPE= 0.0449377
CONNECTIONS:
o DDC431 o DDC430
[ TS777 ] Animation C1 ENERGY= 1305.9 kJ/mol
Energy+ZPE= 1269.0 kJ/mol ZPE= 0.0479701
CONNECTIONS:
o DDC433 o DDC432
[ TS778 ] Animation C1 ENERGY= 322.8 kJ/mol
Energy+ZPE= 306.9 kJ/mol ZPE= 0.0559606
CONNECTIONS:
o xx o xx
[ TS779 ] Animation Cs ENERGY= 481.7 kJ/mol
Energy+ZPE= 457.9 kJ/mol ZPE= 0.0529553
CONNECTIONS:
o xx o xx
[ TS780 ] Animation C1 ENERGY= 769.6 kJ/mol
Energy+ZPE= 749.2 kJ/mol ZPE= 0.0542587
CONNECTIONS:
o xx o xx
[ TS781 ] Animation C1 ENERGY= 853.4 kJ/mol
Energy+ZPE= 819.5 kJ/mol ZPE= 0.0491171
CONNECTIONS:
o xx o xx
[ DDC0 ]
C1 ENERGY= 186.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS8 o EQ0
[ DDC1 ]
C1 ENERGY= 195.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS9 o EQ0
[ DDC2 ]
C1 ENERGY= 151.8 kJ/mol
FRAGMENTS:
CO H4CO
CONNECTIONS:
o TS10 o EQ0
[ DDC3 ]
C1 ENERGY= 487.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS11 o EQ0
[ DDC4 ]
C1 ENERGY= 481.5 kJ/mol
FRAGMENTS:
H2CO2 H2C
CONNECTIONS:
o TS12 o EQ0
[ DDC5 ]
Cs ENERGY= -34.0 kJ/mol
FRAGMENTS:
CO2 H4C
CONNECTIONS:
o TS19 o EQ1
[ DDC6 ]
Cs ENERGY= 265.0 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS20 o EQ1
[ DDC7 ]
C1 ENERGY= 150.1 kJ/mol
FRAGMENTS:
CO H4CO
CONNECTIONS:
o TS21 o EQ1
[ DDC8 ]
C1 ENERGY= 496.1 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS22 o EQ1
[ DDC9 ]
C1 ENERGY= 498.9 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS23 o EQ1
[ DDC10 ]
C1 ENERGY= 146.6 kJ/mol
FRAGMENTS:
CO H4CO
CONNECTIONS:
o TS42 o EQ2
[ DDC11 ]
C1 ENERGY= 217.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS43 o EQ2
[ DDC12 ]
C1 ENERGY= 443.6 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS44 o EQ2
[ DDC13 ]
C1 ENERGY= 458.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS45 o EQ2
[ DDC14 ]
C1 ENERGY= 465.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS46 o EQ2
[ DDC15 ]
Cs ENERGY= 458.9 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS47 o EQ2
[ DDC16 ]
C1 ENERGY= 205.2 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS48 o EQ2
[ DDC17 ]
C1 ENERGY= 504.2 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS49 o EQ2
[ DDC18 ]
C1 ENERGY= 599.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS50 o EQ2
[ DDC19 ]
C1 ENERGY= 600.8 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS51 o EQ2
[ DDC20 ]
C1 ENERGY= 700.6 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS52 o EQ2
[ DDC21 ]
C1 ENERGY= 718.5 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS53 o EQ2
[ DDC22 ]
Cs ENERGY= 256.3 kJ/mol
FRAGMENTS:
CO H2CO H H
CONNECTIONS:
o TS59 o EQ3
[ DDC23 ]
C1 ENERGY= -34.4 kJ/mol
FRAGMENTS:
CO2 H4C
CONNECTIONS:
o TS60 o EQ3
[ DDC24 ]
C1 ENERGY= 446.1 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS61 o EQ3
[ DDC25 ]
C1 ENERGY= 437.9 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS79 o EQ4
[ DDC26 ]
C1 ENERGY= 176.5 kJ/mol
FRAGMENTS:
CO H4CO
CONNECTIONS:
o TS80 o EQ4
[ DDC27 ]
C1 ENERGY= 449.8 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS81 o EQ4
[ DDC28 ]
C1 ENERGY= 191.8 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS82 o EQ4
[ DDC29 ]
C1 ENERGY= 220.1 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS83 o EQ4
[ DDC30 ]
C1 ENERGY= 188.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS84 o EQ4
[ DDC31 ]
Cs ENERGY= 269.0 kJ/mol
FRAGMENTS:
CO H2CO H H
CONNECTIONS:
o TS107 o EQ5
[ DDC32 ]
C1 ENERGY= 201.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS108 o EQ5
[ DDC33 ]
C1 ENERGY= 176.0 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS109 o EQ5
[ DDC34 ]
C1 ENERGY= 168.8 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS110 o EQ5
[ DDC35 ]
Cs ENERGY= 328.2 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS111 o EQ5
[ DDC36 ]
C1 ENERGY= 219.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS112 o EQ5
[ DDC37 ]
C1 ENERGY= 237.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS113 o EQ5
[ DDC38 ]
C1 ENERGY= 323.5 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS119 o EQ6
[ DDC39 ]
C1 ENERGY= 464.0 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS120 o EQ6
[ DDC40 ]
C1 ENERGY= 231.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS121 o EQ6
[ DDC41 ]
C1 ENERGY= 181.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS136 o EQ7
[ DDC42 ]
C1 ENERGY= 365.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS137 o EQ7
[ DDC43 ]
C1 ENERGY= 381.2 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS138 o EQ7
[ DDC44 ]
C1 ENERGY= 331.1 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS143 o EQ8
[ DDC45 ]
C1 ENERGY= 319.5 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS144 o EQ8
[ DDC46 ]
C1 ENERGY= 461.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS145 o EQ8
[ DDC47 ]
C1 ENERGY= 248.9 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS146 o EQ8
[ DDC48 ]
C1 ENERGY= 354.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS155 o EQ10
[ DDC49 ]
C1 ENERGY= 189.3 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS173 o EQ11
[ DDC50 ]
Cs ENERGY= 250.0 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS174 o EQ11
[ DDC51 ]
C1 ENERGY= 499.3 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS175 o EQ11
[ DDC52 ]
C1 ENERGY= 398.2 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS176 o EQ11
[ DDC53 ]
C1 ENERGY= 476.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS181 o EQ12
[ DDC54 ]
C2 ENERGY= 269.6 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS182 o EQ12
[ DDC55 ]
C1 ENERGY= 461.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS192 o EQ13
[ DDC56 ]
C1 ENERGY= 374.4 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS193 o EQ13
[ DDC57 ]
C1 ENERGY= 493.1 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS194 o EQ13
[ DDC58 ]
C1 ENERGY= 398.3 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS195 o EQ13
[ DDC59 ]
C1 ENERGY= 377.0 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS203 o EQ14
[ DDC60 ]
C1 ENERGY= 335.0 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS204 o EQ14
[ DDC61 ]
C1 ENERGY= 251.8 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS208 o EQ16
[ DDC62 ]
C1 ENERGY= 259.6 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS219 o EQ17
[ DDC63 ]
C1 ENERGY= 496.5 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS220 o EQ17
[ DDC64 ]
C1 ENERGY= 451.9 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS229 o EQ18
[ DDC65 ]
C1 ENERGY= 430.3 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS230 o EQ18
[ DDC66 ]
C1 ENERGY= 432.3 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS231 o EQ18
[ DDC67 ]
C1 ENERGY= 496.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS232 o EQ18
[ DDC68 ]
C1 ENERGY= 502.4 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS233 o EQ18
[ DDC69 ]
C2 ENERGY= 205.4 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS234 o EQ19
[ DDC70 ]
C1 ENERGY= 195.3 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS235 o EQ19
[ DDC71 ]
Cs ENERGY= 419.2 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS236 o EQ19
[ DDC72 ]
C1 ENERGY= 151.2 kJ/mol
FRAGMENTS:
CO H4CO
CONNECTIONS:
o TS241 o EQ20
[ DDC73 ]
C1 ENERGY= 190.9 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS242 o EQ20
[ DDC74 ]
C1 ENERGY= 661.9 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS243 o EQ20
[ DDC75 ]
C1 ENERGY= 665.8 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS244 o EQ20
[ DDC76 ]
C1 ENERGY= 667.0 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS251 o EQ21
[ DDC77 ]
C1 ENERGY= 165.9 kJ/mol
FRAGMENTS:
CO H4CO
CONNECTIONS:
o TS256 o EQ22
[ DDC78 ]
C1 ENERGY= 686.5 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS257 o EQ22
[ DDC79 ]
C1 ENERGY= 686.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS258 o EQ22
[ DDC80 ]
C1 ENERGY= -24.0 kJ/mol
FRAGMENTS:
CO2 H4C
CONNECTIONS:
o TS262 o EQ23
[ DDC81 ]
Cs ENERGY= 270.1 kJ/mol
FRAGMENTS:
CO H2CO H H
CONNECTIONS:
o TS263 o EQ23
[ DDC82 ]
C1 ENERGY= 319.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS264 o EQ23
[ DDC83 ]
C1 ENERGY= 186.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS267 o EQ24
[ DDC84 ]
C1 ENERGY= 503.2 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS268 o EQ24
[ DDC85 ]
C1 ENERGY= 504.1 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS269 o EQ24
[ DDC86 ]
C1 ENERGY= 658.5 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS270 o EQ24
[ DDC87 ]
C1 ENERGY= 199.8 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS276 o EQ26
[ DDC88 ]
C1 ENERGY= 439.8 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS283 o EQ27
[ DDC89 ]
C1 ENERGY= 373.4 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS284 o EQ27
[ DDC90 ]
C1 ENERGY= 682.9 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS285 o EQ27
[ DDC91 ]
C1 ENERGY= 701.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS286 o EQ27
[ DDC92 ]
C1 ENERGY= 15.0 kJ/mol
FRAGMENTS:
HCO2 H3C
CONNECTIONS:
o TS293 o EQ28
[ DDC93 ]
C1 ENERGY= 587.8 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS294 o EQ28
[ DDC94 ]
C1 ENERGY= 240.0 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS295 o EQ28
[ DDC95 ]
C1 ENERGY= 451.8 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS304 o EQ29
[ DDC96 ]
C1 ENERGY= 474.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS305 o EQ29
[ DDC97 ]
C1 ENERGY= 684.9 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS306 o EQ29
[ DDC98 ]
C1 ENERGY= 461.9 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS307 o EQ29
[ DDC99 ]
C1 ENERGY= 622.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS308 o EQ29
[ DDC100 ]
Cs ENERGY= 194.6 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS317 o EQ30
[ DDC101 ]
C1 ENERGY= 376.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS318 o EQ31
[ DDC102 ]
C1 ENERGY= 324.8 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS324 o EQ32
[ DDC103 ]
C1 ENERGY= 324.4 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS325 o EQ32
[ DDC104 ]
C1 ENERGY= 174.0 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS326 o EQ32
[ DDC105 ]
C1 ENERGY= 470.9 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS327 o EQ32
[ DDC106 ]
C1 ENERGY= 181.4 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS328 o EQ32
[ DDC107 ]
C1 ENERGY= 732.0 kJ/mol
FRAGMENTS:
HCO H3CO
CONNECTIONS:
o TS329 o EQ32
[ DDC108 ]
C1 ENERGY= 397.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS331 o EQ33
[ DDC109 ]
C1 ENERGY= 443.8 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS335 o EQ34
[ DDC110 ]
C1 ENERGY= 452.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS336 o EQ34
[ DDC111 ]
C1 ENERGY= 669.6 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS337 o EQ34
[ DDC112 ]
C1 ENERGY= 668.4 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS359 o EQ35
[ DDC113 ]
C1 ENERGY= 669.3 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS360 o EQ35
[ DDC114 ]
C1 ENERGY= 577.5 kJ/mol
FRAGMENTS:
H3C2 HO2
CONNECTIONS:
o TS361 o EQ35
[ DDC115 ]
C1 ENERGY= 578.2 kJ/mol
FRAGMENTS:
H3C2 HO2
CONNECTIONS:
o TS362 o EQ35
[ DDC116 ]
C1 ENERGY= 852.4 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS363 o EQ35
[ DDC117 ]
C1 ENERGY= 666.4 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS364 o EQ35
[ DDC118 ]
C1 ENERGY= 584.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS365 o EQ35
[ DDC119 ]
C1 ENERGY= 410.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS367 o EQ36
[ DDC120 ]
C1 ENERGY= 207.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS378 o EQ37
[ DDC121 ]
C1 ENERGY= 504.6 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS379 o EQ37
[ DDC122 ]
C1 ENERGY= 689.7 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS380 o EQ37
[ DDC123 ]
C1 ENERGY= 597.0 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS386 o EQ38
[ DDC124 ]
C1 ENERGY= 726.7 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS387 o EQ38
[ DDC125 ]
C1 ENERGY= 570.1 kJ/mol
FRAGMENTS:
H3C2 HO2
CONNECTIONS:
o TS388 o EQ38
[ DDC126 ]
C1 ENERGY= 271.8 kJ/mol
FRAGMENTS:
CO H2CO H H
CONNECTIONS:
o TS394 o EQ39
[ DDC127 ]
C1 ENERGY= 595.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS395 o EQ39
[ DDC128 ]
C1 ENERGY= 475.4 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS396 o EQ39
[ DDC129 ]
C1 ENERGY= 689.2 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS397 o EQ39
[ DDC130 ]
C1 ENERGY= 690.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS398 o EQ39
[ DDC131 ]
C1 ENERGY= 428.2 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS406 o EQ41
[ DDC132 ]
C1 ENERGY= 666.0 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS407 o EQ41
[ DDC133 ]
C1 ENERGY= 224.9 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS409 o EQ42
[ DDC134 ]
C1 ENERGY= 198.3 kJ/mol
FRAGMENTS:
HCO H3CO
CONNECTIONS:
o TS410 o EQ42
[ DDC135 ]
C1 ENERGY= 605.6 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS411 o EQ42
[ DDC136 ]
C1 ENERGY= 698.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS412 o EQ42
[ DDC137 ]
C1 ENERGY= 670.9 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS413 o EQ42
[ DDC138 ]
C1 ENERGY= 197.7 kJ/mol
FRAGMENTS:
HCO H3CO
CONNECTIONS:
o TS417 o EQ43
[ DDC139 ]
C1 ENERGY= 441.4 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS423 o EQ44
[ DDC140 ]
C1 ENERGY= 457.2 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS424 o EQ44
[ DDC141 ]
C1 ENERGY= 223.3 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS425 o EQ44
[ DDC142 ]
C1 ENERGY= 332.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o TS426 o EQ44
[ DDC143 ]
C1 ENERGY= 671.4 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS427 o EQ44
[ DDC144 ]
C1 ENERGY= 756.3 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS428 o EQ44
[ DDC145 ]
C1 ENERGY= 225.2 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS433 o EQ45
[ DDC146 ]
C1 ENERGY= 697.4 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS434 o EQ45
[ DDC147 ]
C1 ENERGY= 241.5 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS435 o EQ45
[ DDC148 ]
C1 ENERGY= 587.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS436 o EQ45
[ DDC149 ]
C1 ENERGY= 313.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS441 o EQ46
[ DDC150 ]
C1 ENERGY= 186.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS442 o EQ46
[ DDC151 ]
C1 ENERGY= 234.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS443 o EQ46
[ DDC152 ]
C1 ENERGY= 169.2 kJ/mol
FRAGMENTS:
HCO H3CO
CONNECTIONS:
o TS446 o EQ47
[ DDC153 ]
C1 ENERGY= 488.1 kJ/mol
FRAGMENTS:
HCO H3CO
CONNECTIONS:
o TS447 o EQ47
[ DDC154 ]
C1 ENERGY= 236.9 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS450 o EQ50
[ DDC155 ]
C1 ENERGY= 523.5 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS457 o EQ51
[ DDC156 ]
C1 ENERGY= 581.1 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS458 o EQ51
[ DDC157 ]
Cs ENERGY= 697.5 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS459 o EQ51
[ DDC158 ]
C1 ENERGY= 193.8 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS465 o EQ52
[ DDC159 ]
C1 ENERGY= 663.8 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS466 o EQ52
[ DDC160 ]
C1 ENERGY= 665.8 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS467 o EQ52
[ DDC161 ]
C1 ENERGY= 502.2 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS473 o EQ54
[ DDC162 ]
C1 ENERGY= 202.1 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS474 o EQ54
[ DDC163 ]
C1 ENERGY= 189.5 kJ/mol
FRAGMENTS:
CO H4CO
CONNECTIONS:
o TS482 o EQ56
[ DDC164 ]
C1 ENERGY= 207.6 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS487 o EQ58
[ DDC165 ]
C1 ENERGY= 513.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS489 o EQ59
[ DDC166 ]
C1 ENERGY= 693.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS490 o EQ59
[ DDC167 ]
Cs ENERGY= 41.5 kJ/mol
FRAGMENTS:
HCO2 H3C
CONNECTIONS:
o TS495 o EQ61
[ DDC168 ]
C1 ENERGY= 373.6 kJ/mol
FRAGMENTS:
H2CO2 H2C
CONNECTIONS:
o TS496 o EQ61
[ DDC169 ]
C1 ENERGY= 215.4 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS497 o EQ62
[ DDC170 ]
C1 ENERGY= 511.3 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS498 o EQ62
[ DDC171 ]
C1 ENERGY= 217.9 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS499 o EQ62
[ DDC172 ]
C1 ENERGY= 502.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS505 o EQ64
[ DDC173 ]
C1 ENERGY= 503.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS507 o EQ65
[ DDC174 ]
C1 ENERGY= 327.3 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS513 o EQ66
[ DDC175 ]
Cs ENERGY= 228.2 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS514 o EQ66
[ DDC176 ]
C1 ENERGY= 601.5 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS515 o EQ66
[ DDC177 ]
C1 ENERGY= 530.4 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS516 o EQ66
[ DDC178 ]
C1 ENERGY= 499.7 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS520 o EQ67
[ DDC179 ]
C1 ENERGY= 401.0 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS521 o EQ67
[ DDC180 ]
C1 ENERGY= 401.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS523 o EQ68
[ DDC181 ]
C1 ENERGY= 409.0 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS524 o EQ68
[ DDC182 ]
C1 ENERGY= 703.6 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS526 o EQ69
[ DDC183 ]
C1 ENERGY= 481.2 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS530 o EQ70
[ DDC184 ]
C1 ENERGY= 681.9 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS534 o EQ71
[ DDC185 ]
C1 ENERGY= 478.6 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS539 o EQ73
[ DDC186 ]
C1 ENERGY= 480.8 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS540 o EQ73
[ DDC187 ]
C1 ENERGY= 481.4 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS541 o EQ73
[ DDC188 ]
C1 ENERGY= 274.1 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS545 o EQ74
[ DDC189 ]
C1 ENERGY= 530.6 kJ/mol
FRAGMENTS:
CO H4CO
CONNECTIONS:
o TS547 o EQ75
[ DDC190 ]
C1 ENERGY= 566.5 kJ/mol
FRAGMENTS:
CO H3C HO
CONNECTIONS:
o TS548 o EQ75
[ DDC191 ]
C1 ENERGY= 575.1 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS556 o EQ76
[ DDC192 ]
C1 ENERGY= 1034.8 kJ/mol
FRAGMENTS:
H2CO2 H2C
CONNECTIONS:
o TS563 o EQ77
[ DDC193 ]
Cs ENERGY= 613.2 kJ/mol
FRAGMENTS:
H4C2 O2
CONNECTIONS:
o TS572 o EQ79
[ DDC194 ]
C1 ENERGY= 626.8 kJ/mol
FRAGMENTS:
H4C2 O2
CONNECTIONS:
o TS573 o EQ79
[ DDC195 ]
C1 ENERGY= 244.4 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS574 o EQ79
[ DDC196 ]
C1 ENERGY= 854.1 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS575 o EQ79
[ DDC197 ]
C1 ENERGY= 296.3 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS576 o EQ80
[ DDC198 ]
C1 ENERGY= 731.7 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS580 o EQ81
[ DDC199 ]
C1 ENERGY= 731.8 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS581 o EQ81
[ DDC200 ]
C1 ENERGY= 623.1 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS584 o EQ82
[ DDC201 ]
C1 ENERGY= 618.2 kJ/mol
FRAGMENTS:
H4C2 O2
CONNECTIONS:
o TS585 o EQ83
[ DDC202 ]
C1 ENERGY= 321.9 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS589 o EQ86
[ DDC203 ]
C1 ENERGY= 562.4 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS592 o EQ87
[ DDC204 ]
C1 ENERGY= 742.0 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS593 o EQ87
[ DDC205 ]
C1 ENERGY= 248.4 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS595 o EQ88
[ DDC206 ]
C1 ENERGY= 225.6 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS596 o EQ88
[ DDC207 ]
C1 ENERGY= 630.9 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS597 o EQ88
[ DDC208 ]
C1 ENERGY= 725.2 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS598 o EQ88
[ DDC209 ]
C1 ENERGY= 269.5 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS599 o EQ88
[ DDC210 ]
C1 ENERGY= 274.6 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS604 o EQ89
[ DDC211 ]
C1 ENERGY= 681.8 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS605 o EQ90
[ DDC212 ]
C1 ENERGY= 675.4 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS606 o EQ90
[ DDC213 ]
C1 ENERGY= 686.8 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS607 o EQ91
[ DDC214 ]
C1 ENERGY= 669.9 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS608 o EQ91
[ DDC215 ]
C1 ENERGY= 664.5 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS609 o EQ91
[ DDC216 ]
C1 ENERGY= 581.6 kJ/mol
FRAGMENTS:
H4C CO2
CONNECTIONS:
o TS614 o EQ92
[ DDC217 ]
C1 ENERGY= 572.3 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS616 o EQ93
[ DDC218 ]
C1 ENERGY= 565.5 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS617 o EQ93
[ DDC219 ]
C1 ENERGY= 511.1 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS618 o EQ94
[ DDC220 ]
C1 ENERGY= 710.4 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS619 o EQ94
[ DDC221 ]
C1 ENERGY= 599.0 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS620 o EQ94
[ DDC222 ]
C1 ENERGY= 711.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS621 o EQ94
[ DDC223 ]
C1 ENERGY= 458.5 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS622 o EQ94
[ DDC224 ]
C1 ENERGY= 582.7 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS624 o EQ95
[ DDC225 ]
C1 ENERGY= 738.8 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS625 o EQ95
[ DDC226 ]
C1 ENERGY= 711.8 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS626 o EQ95
[ DDC227 ]
C1 ENERGY= 723.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS627 o EQ95
[ DDC228 ]
C1 ENERGY= 710.6 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS628 o EQ95
[ DDC229 ]
C1 ENERGY= 244.6 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS632 o EQ98
[ DDC230 ]
C1 ENERGY= 488.9 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS637 o EQ99
[ DDC231 ]
C2 ENERGY= 677.1 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS640 o EQ101
[ DDC232 ]
C1 ENERGY= 984.9 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS645 o EQ102
[ DDC233 ]
C1 ENERGY= 1272.1 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS646 o EQ102
[ DDC234 ]
Cs ENERGY= 756.8 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS648 o EQ103
[ DDC235 ]
C1 ENERGY= 970.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS649 o EQ103
[ DDC236 ]
C1 ENERGY= 638.1 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS654 o EQ104
[ DDC237 ]
C1 ENERGY= 690.5 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS659 o EQ105
[ DDC238 ]
C1 ENERGY= 713.7 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS660 o EQ105
[ DDC239 ]
C1 ENERGY= 707.8 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS662 o EQ107
[ DDC240 ]
C1 ENERGY= 706.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS664 o EQ108
[ DDC241 ]
C1 ENERGY= 705.4 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS665 o EQ108
[ DDC242 ]
Cs ENERGY= 1154.2 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS666 o EQ108
[ DDC243 ]
Cs ENERGY= 707.0 kJ/mol
FRAGMENTS:
H4C CO2
CONNECTIONS:
o TS669 o EQ109
[ DDC244 ]
C1 ENERGY= 1142.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS670 o EQ109
[ DDC245 ]
C1 ENERGY= 1278.4 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS671 o EQ109
[ DDC246 ]
C2 ENERGY= 741.6 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS673 o EQ110
[ DDC247 ]
C1 ENERGY= 511.8 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS674 o EQ110
[ DDC248 ]
Cs ENERGY= 1154.9 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS675 o EQ111
[ DDC249 ]
C1 ENERGY= 242.9 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS679 o EQ112
[ DDC250 ]
C1 ENERGY= 654.0 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS681 o EQ113
[ DDC251 ]
C1 ENERGY= 458.1 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS682 o EQ114
[ DDC252 ]
C1 ENERGY= 467.8 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS683 o EQ114
[ DDC253 ]
C1 ENERGY= 698.5 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS684 o EQ114
[ DDC254 ]
C1 ENERGY= 320.3 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS685 o EQ115
[ DDC255 ]
C1 ENERGY= 892.4 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS686 o EQ116
[ DDC256 ]
C1 ENERGY= 825.4 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS687 o EQ116
[ DDC257 ]
C1 ENERGY= 673.8 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS688 o EQ116
[ DDC258 ]
C1 ENERGY= 931.3 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS689 o EQ117
[ DDC259 ]
C1 ENERGY= 690.2 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS690 o EQ117
[ DDC260 ]
Cs ENERGY= 178.4 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS691 o DDC261
[ DDC261 ]
C1 ENERGY= 180.2 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS691 o DDC260
[ DDC262 ]
C1 ENERGY= 193.7 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS692 o DDC263
[ DDC263 ]
C1 ENERGY= 195.4 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS692 o DDC262
[ DDC264 ]
C1 ENERGY= 202.7 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS693 o DDC265
[ DDC265 ]
C1 ENERGY= 202.2 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS693 o DDC264
[ DDC266 ]
C1 ENERGY= 148.3 kJ/mol
FRAGMENTS:
CO H4CO
CONNECTIONS:
o TS694 o DDC267
[ DDC267 ]
C1 ENERGY= 210.7 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS694 o DDC266
[ DDC268 ]
C1 ENERGY= 356.1 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS695 o DDC269
[ DDC269 ]
C1 ENERGY= 355.7 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS695 o DDC268
[ DDC270 ]
Cs ENERGY= -24.6 kJ/mol
FRAGMENTS:
H4C CO2
CONNECTIONS:
o TS696 o DDC271
[ DDC271 ]
Cs ENERGY= 266.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS696 o DDC270
[ DDC272 ]
C1 ENERGY= 423.5 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS697 o DDC273
[ DDC273 ]
C1 ENERGY= 435.9 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS697 o DDC272
[ DDC274 ]
C1 ENERGY= 451.8 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS698 o DDC275
[ DDC275 ]
C1 ENERGY= 440.2 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS698 o DDC274
[ DDC276 ]
C1 ENERGY= 459.1 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS699 o DDC277
[ DDC277 ]
Cs ENERGY= 458.7 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS699 o DDC276
[ DDC278 ]
C1 ENERGY= 159.1 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS700 o DDC279
[ DDC279 ]
C1 ENERGY= 186.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS700 o DDC278
[ DDC280 ]
C1 ENERGY= 294.3 kJ/mol
FRAGMENTS:
H2CO2 H2C
CONNECTIONS:
o TS701 o DDC281
[ DDC281 ]
C1 ENERGY= 294.8 kJ/mol
FRAGMENTS:
H2CO2 H2C
CONNECTIONS:
o TS701 o DDC280
[ DDC282 ]
C1 ENERGY= 485.8 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS702 o DDC283
[ DDC283 ]
C1 ENERGY= 495.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS702 o DDC282
[ DDC284 ]
C1 ENERGY= 502.1 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS703 o DDC285
[ DDC285 ]
C1 ENERGY= 501.1 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS703 o DDC284
[ DDC286 ]
C1 ENERGY= 506.4 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS704 o DDC287
[ DDC287 ]
C1 ENERGY= 511.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS704 o DDC286
[ DDC288 ]
C1 ENERGY= 501.1 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS705 o DDC289
[ DDC289 ]
C1 ENERGY= 201.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS705 o DDC288
[ DDC290 ]
C1 ENERGY= 196.9 kJ/mol
FRAGMENTS:
HCO H3CO
CONNECTIONS:
o TS706 o DDC291
[ DDC291 ]
C1 ENERGY= 232.2 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS706 o DDC290
[ DDC292 ]
C1 ENERGY= 438.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS707 o DDC293
[ DDC293 ]
C1 ENERGY= 452.9 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS707 o DDC292
[ DDC294 ]
C1 ENERGY= 529.2 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS708 o DDC295
[ DDC295 ]
C1 ENERGY= 545.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS708 o DDC294
[ DDC296 ]
C1 ENERGY= 409.3 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS709 o DDC297
[ DDC297 ]
C1 ENERGY= 535.2 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS709 o DDC296
[ DDC298 ]
C1 ENERGY= 301.5 kJ/mol
FRAGMENTS:
H2CO CO H H
CONNECTIONS:
o TS710 o DDC299
[ DDC299 ]
C1 ENERGY= 473.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS710 o DDC298
[ DDC300 ]
C1 ENERGY= 536.5 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS711 o DDC301
[ DDC301 ]
C1 ENERGY= 552.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS711 o DDC300
[ DDC302 ]
C1 ENERGY= 529.7 kJ/mol
FRAGMENTS:
HCO2 H3C
CONNECTIONS:
o TS712 o DDC303
[ DDC303 ]
C1 ENERGY= 528.6 kJ/mol
FRAGMENTS:
HCO2 H3C
CONNECTIONS:
o TS712 o DDC302
[ DDC304 ]
C1 ENERGY= 254.7 kJ/mol
FRAGMENTS:
CO H2CO H H
CONNECTIONS:
o TS713 o DDC305
[ DDC305 ]
C1 ENERGY= 258.6 kJ/mol
FRAGMENTS:
CO H2CO H H
CONNECTIONS:
o TS713 o DDC304
[ DDC306 ]
C1 ENERGY= 211.9 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS714 o DDC307
[ DDC307 ]
C1 ENERGY= 271.8 kJ/mol
FRAGMENTS:
CO H2CO H H
CONNECTIONS:
o TS714 o DDC306
[ DDC308 ]
C1 ENERGY= 465.2 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS715 o DDC309
[ DDC309 ]
C1 ENERGY= 563.4 kJ/mol
FRAGMENTS:
CO H3C HO
CONNECTIONS:
o TS715 o DDC308
[ DDC310 ]
C1 ENERGY= 567.7 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS716 o DDC311
[ DDC311 ]
C1 ENERGY= 567.7 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS716 o DDC310
[ DDC312 ]
C1 ENERGY= 193.8 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS717 o DDC313
[ DDC313 ]
C1 ENERGY= 445.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS717 o DDC312
[ DDC314 ]
C1 ENERGY= 550.5 kJ/mol
FRAGMENTS:
HCO H3CO
CONNECTIONS:
o TS718 o DDC315
[ DDC315 ]
C1 ENERGY= 556.6 kJ/mol
FRAGMENTS:
HCO H3CO
CONNECTIONS:
o TS718 o DDC314
[ DDC316 ]
C1 ENERGY= 464.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS719 o DDC317
[ DDC317 ]
C1 ENERGY= 334.6 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS719 o DDC316
[ DDC318 ]
C1 ENERGY= 444.7 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS720 o DDC319
[ DDC319 ]
C1 ENERGY= 194.0 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS720 o DDC318
[ DDC320 ]
C1 ENERGY= 561.0 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS721 o DDC321
[ DDC321 ]
C1 ENERGY= 497.0 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS721 o DDC320
[ DDC322 ]
C1 ENERGY= 217.3 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS722 o DDC323
[ DDC323 ]
C1 ENERGY= 354.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS722 o DDC322
[ DDC324 ]
C1 ENERGY= 218.8 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS723 o DDC325
[ DDC325 ]
C1 ENERGY= 361.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS723 o DDC324
[ DDC326 ]
C2 ENERGY= 234.8 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS724 o DDC327
[ DDC327 ]
C2 ENERGY= 234.8 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS724 o DDC326
[ DDC328 ]
Cs ENERGY= 169.3 kJ/mol
FRAGMENTS:
H4CO CO
CONNECTIONS:
o TS725 o DDC329
[ DDC329 ]
C1 ENERGY= 321.5 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS725 o DDC328
[ DDC330 ]
C1 ENERGY= 463.8 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS726 o DDC331
[ DDC331 ]
C1 ENERGY= 473.8 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS726 o DDC330
[ DDC332 ]
Cs ENERGY= 640.1 kJ/mol
FRAGMENTS:
HCO HCO H H
CONNECTIONS:
o TS727 o DDC333
[ DDC333 ]
Cs ENERGY= 639.6 kJ/mol
FRAGMENTS:
HCO HCO H H
CONNECTIONS:
o TS727 o DDC332
[ DDC334 ]
C1 ENERGY= 485.2 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS728 o DDC335
[ DDC335 ]
C1 ENERGY= 488.1 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS728 o DDC334
[ DDC336 ]
C1 ENERGY= 453.3 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS729 o DDC337
[ DDC337 ]
C1 ENERGY= 461.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS729 o DDC336
[ DDC338 ]
C1 ENERGY= 561.0 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS730 o DDC339
[ DDC339 ]
C1 ENERGY= 374.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS730 o DDC338
[ DDC340 ]
C1 ENERGY= 336.4 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS731 o DDC341
[ DDC341 ]
C1 ENERGY= 422.2 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS731 o DDC340
[ DDC342 ]
C1 ENERGY= 504.0 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS732 o DDC343
[ DDC343 ]
C1 ENERGY= 664.2 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS732 o DDC342
[ DDC344 ]
C1 ENERGY= 560.2 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS733 o DDC345
[ DDC345 ]
C1 ENERGY= 214.9 kJ/mol
FRAGMENTS:
HCO H3CO
CONNECTIONS:
o TS733 o DDC344
[ DDC346 ]
C1 ENERGY= 439.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS734 o DDC347
[ DDC347 ]
C1 ENERGY= 487.6 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS734 o DDC346
[ DDC348 ]
C1 ENERGY= 471.6 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS735 o DDC349
[ DDC349 ]
C1 ENERGY= 499.6 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS735 o DDC348
[ DDC350 ]
C1 ENERGY= 686.9 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS736 o DDC351
[ DDC351 ]
C1 ENERGY= 681.8 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS736 o DDC350
[ DDC352 ]
C1 ENERGY= 701.0 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS737 o DDC353
[ DDC353 ]
C1 ENERGY= 703.7 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS737 o DDC352
[ DDC354 ]
C1 ENERGY= 696.8 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS738 o DDC355
[ DDC355 ]
C1 ENERGY= 703.4 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS738 o DDC354
[ DDC356 ]
C1 ENERGY= 695.7 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS739 o DDC357
[ DDC357 ]
C1 ENERGY= 701.7 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS739 o DDC356
[ DDC358 ]
C1 ENERGY= 705.4 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS740 o DDC359
[ DDC359 ]
C1 ENERGY= 700.8 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS740 o DDC358
[ DDC360 ]
C1 ENERGY= 553.3 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o TS741 o DDC361
[ DDC361 ]
C1 ENERGY= 553.3 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS741 o DDC360
[ DDC362 ]
C1 ENERGY= 723.5 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS742 o DDC363
[ DDC363 ]
C1 ENERGY= 723.4 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS742 o DDC362
[ DDC364 ]
C1 ENERGY= 641.5 kJ/mol
FRAGMENTS:
HCO H3CO
CONNECTIONS:
o TS743 o DDC365
[ DDC365 ]
C1 ENERGY= 691.7 kJ/mol
FRAGMENTS:
CO H3CO H
CONNECTIONS:
o TS743 o DDC364
[ DDC366 ]
C1 ENERGY= 486.8 kJ/mol
FRAGMENTS:
CO H2CO H H
CONNECTIONS:
o TS744 o DDC367
[ DDC367 ]
C1 ENERGY= 736.8 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS744 o DDC366
[ DDC368 ]
C2 ENERGY= 586.5 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS745 o DDC369
[ DDC369 ]
C1 ENERGY= 622.5 kJ/mol
FRAGMENTS:
H4C2 O2
CONNECTIONS:
o TS745 o DDC368
[ DDC370 ]
C1 ENERGY= 509.7 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS746 o DDC371
[ DDC371 ]
C1 ENERGY= 585.6 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS746 o DDC370
[ DDC372 ]
C1 ENERGY= 437.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS747 o DDC373
[ DDC373 ]
C1 ENERGY= 431.2 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS747 o DDC372
[ DDC374 ]
C1 ENERGY= 766.4 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS748 o DDC375
[ DDC375 ]
C1 ENERGY= 749.7 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS748 o DDC374
[ DDC376 ]
C1 ENERGY= 760.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS749 o DDC377
[ DDC377 ]
C1 ENERGY= 512.1 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS749 o DDC376
[ DDC378 ]
C1 ENERGY= 632.8 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS750 o DDC379
[ DDC379 ]
C1 ENERGY= 448.3 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS750 o DDC378
[ DDC380 ]
C1 ENERGY= 776.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS751 o DDC381
[ DDC381 ]
C1 ENERGY= 776.2 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS751 o DDC380
[ DDC382 ]
C1 ENERGY= 515.0 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS752 o DDC383
[ DDC383 ]
C1 ENERGY= 750.7 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS752 o DDC382
[ DDC384 ]
C1 ENERGY= 401.9 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS753 o DDC385
[ DDC385 ]
C1 ENERGY= 406.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS753 o DDC384
[ DDC386 ]
C1 ENERGY= 498.0 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS754 o DDC387
[ DDC387 ]
C1 ENERGY= 561.1 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS754 o DDC386
[ DDC388 ]
C1 ENERGY= 510.0 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS755 o DDC389
[ DDC389 ]
C1 ENERGY= 776.5 kJ/mol
FRAGMENTS:
H2C2O H2O
CONNECTIONS:
o TS755 o DDC388
[ DDC390 ]
C1 ENERGY= 782.7 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS756 o DDC391
[ DDC391 ]
C1 ENERGY= 690.3 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS756 o DDC390
[ DDC392 ]
C1 ENERGY= 551.0 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS757 o DDC393
[ DDC393 ]
C1 ENERGY= 535.3 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS757 o DDC392
[ DDC394 ]
C1 ENERGY= 684.4 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS758 o DDC395
[ DDC395 ]
C1 ENERGY= 443.6 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS758 o DDC394
[ DDC396 ]
C2h ENERGY= 372.9 kJ/mol
FRAGMENTS:
HCO HCO H H
CONNECTIONS:
o TS759 o DDC397
[ DDC397 ]
C2h ENERGY= 725.3 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS759 o DDC396
[ DDC398 ]
C1 ENERGY= 777.5 kJ/mol
FRAGMENTS:
H3C2 HO2
CONNECTIONS:
o TS760 o DDC399
[ DDC399 ]
C1 ENERGY= 828.0 kJ/mol
FRAGMENTS:
H3C2 HO2
CONNECTIONS:
o TS760 o DDC398
[ DDC400 ]
C1 ENERGY= 824.4 kJ/mol
FRAGMENTS:
H3C2 HO2
CONNECTIONS:
o TS761 o DDC401
[ DDC401 ]
C1 ENERGY= 844.2 kJ/mol
FRAGMENTS:
H3C2 HO2
CONNECTIONS:
o TS761 o DDC400
[ DDC402 ]
C1 ENERGY= 860.7 kJ/mol
FRAGMENTS:
H3C2 HO2
CONNECTIONS:
o TS762 o DDC403
[ DDC403 ]
C1 ENERGY= 863.0 kJ/mol
FRAGMENTS:
H3C2 HO2
CONNECTIONS:
o TS762 o DDC402
[ DDC404 ]
C1 ENERGY= 888.3 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS763 o DDC405
[ DDC405 ]
C1 ENERGY= 887.1 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS763 o DDC404
[ DDC406 ]
C1 ENERGY= 627.4 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS764 o DDC407
[ DDC407 ]
C1 ENERGY= 886.7 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS764 o DDC406
[ DDC408 ]
C1 ENERGY= 793.9 kJ/mol
FRAGMENTS:
H3C2 HO2
CONNECTIONS:
o TS765 o DDC409
[ DDC409 ]
C1 ENERGY= 632.3 kJ/mol
FRAGMENTS:
H4C2 O2
CONNECTIONS:
o TS765 o DDC408
[ DDC410 ]
C1 ENERGY= 507.9 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS766 o DDC411
[ DDC411 ]
C1 ENERGY= 753.8 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o TS766 o DDC410
[ DDC412 ]
C1 ENERGY= 597.4 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS767 o DDC413
[ DDC413 ]
C1 ENERGY= 495.6 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS767 o DDC412
[ DDC414 ]
C1 ENERGY= 954.6 kJ/mol
FRAGMENTS:
C H4CO2
CONNECTIONS:
o TS768 o DDC415
[ DDC415 ]
C1 ENERGY= 483.9 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS768 o DDC414
[ DDC416 ]
C1 ENERGY= 967.8 kJ/mol
FRAGMENTS:
H2CO2 H2C
CONNECTIONS:
o TS769 o DDC417
[ DDC417 ]
Cs ENERGY= 966.1 kJ/mol
FRAGMENTS:
H2CO2 H2C
CONNECTIONS:
o TS769 o DDC416
[ DDC418 ]
C1 ENERGY= 858.7 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS770 o DDC419
[ DDC419 ]
C1 ENERGY= 855.2 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS770 o DDC418
[ DDC420 ]
C1 ENERGY= 979.0 kJ/mol
FRAGMENTS:
HC H2CO HO
CONNECTIONS:
o TS771 o DDC421
[ DDC421 ]
C1 ENERGY= 941.4 kJ/mol
FRAGMENTS:
HC H2CO HO
CONNECTIONS:
o TS771 o DDC420
[ DDC422 ]
C1 ENERGY= 629.9 kJ/mol
FRAGMENTS:
H2C2 H2O2
CONNECTIONS:
o TS772 o DDC423
[ DDC423 ]
C1 ENERGY= 925.3 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS772 o DDC422
[ DDC424 ]
C1 ENERGY= 933.1 kJ/mol
FRAGMENTS:
H3C2O HO
CONNECTIONS:
o TS773 o DDC425
[ DDC425 ]
C1 ENERGY= 932.3 kJ/mol
FRAGMENTS:
H4C2O2
CONNECTIONS:
o TS773 o DDC424
[ DDC426 ]
Cs ENERGY= 1013.5 kJ/mol
FRAGMENTS:
H2C H2CO2
CONNECTIONS:
o TS774 o DDC427
[ DDC427 ]
Cs ENERGY= 810.2 kJ/mol
FRAGMENTS:
H3C HCO2
CONNECTIONS:
o TS774 o DDC426
[ DDC428 ]
C1 ENERGY= 1034.1 kJ/mol
FRAGMENTS:
H2CO2 H2C
CONNECTIONS:
o TS775 o DDC429
[ DDC429 ]
C1 ENERGY= 1038.3 kJ/mol
FRAGMENTS:
H2CO2 H2C
CONNECTIONS:
o TS775 o DDC428
[ DDC430 ]
C1 ENERGY= 739.8 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS776 o DDC431
[ DDC431 ]
C1 ENERGY= 920.7 kJ/mol
FRAGMENTS:
H2C2O2 H H
CONNECTIONS:
o TS776 o DDC430
[ DDC432 ]
C1 ENERGY= 1303.8 kJ/mol
FRAGMENTS:
H2C H2CO2
CONNECTIONS:
o TS777 o DDC433
[ DDC433 ]
C1 ENERGY= 1305.2 kJ/mol
FRAGMENTS:
H2C H2CO2
CONNECTIONS:
o TS777 o DDC432
[ UDC0 ]
C1 ENERGY= 511.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ0 o
[ UDC1 ]
C1 ENERGY= 511.3 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ0 o
[ UDC2 ]
C1 ENERGY= 512.3 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ1 o
[ UDC3 ]
Cs ENERGY= 546.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ1 o
[ UDC4 ]
C1 ENERGY= 620.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ1 o
[ UDC5 ]
C1 ENERGY= 532.6 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ2 o
[ UDC6 ]
Cs ENERGY= 536.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ2 o
[ UDC7 ]
C1 ENERGY= 536.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ3 o
[ UDC8 ]
C1 ENERGY= 536.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ3 o
[ UDC9 ]
Cs ENERGY= 618.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ3 o
[ UDC10 ]
Cs ENERGY= 953.8 kJ/mol
FRAGMENTS:
H4C2O O
CONNECTIONS:
o EQ3 o
[ UDC11 ]
Cs ENERGY= 431.0 kJ/mol
FRAGMENTS:
H2CO H2CO
CONNECTIONS:
o EQ4 o
[ UDC12 ]
C1 ENERGY= 498.6 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ4 o
[ UDC13 ]
C1 ENERGY= 468.2 kJ/mol
FRAGMENTS:
H3CO HCO
CONNECTIONS:
o EQ5 o
[ UDC14 ]
C1 ENERGY= 666.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ5 o
[ UDC15 ]
C1 ENERGY= 547.3 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ6 o
[ UDC16 ]
Cs ENERGY= 583.3 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ6 o
[ UDC17 ]
C1 ENERGY= 604.2 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ7 o
[ UDC18 ]
C1 ENERGY= 704.3 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ7 o
[ UDC19 ]
C1 ENERGY= 545.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ8 o
[ UDC20 ]
Cs ENERGY= 667.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ8 o
[ UDC21 ]
C1 ENERGY= 719.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ10 o
[ UDC22 ]
C1 ENERGY= 575.6 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ11 o
[ UDC23 ]
C1 ENERGY= 687.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ11 o
[ UDC24 ]
C1 ENERGY= 600.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ13 o
[ UDC25 ]
C1 ENERGY= 751.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ13 o
[ UDC26 ]
C1 ENERGY= 643.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ14 o
[ UDC27 ]
C1 ENERGY= 692.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ14 o
[ UDC28 ]
C1 ENERGY= 635.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ16 o
[ UDC29 ]
C1 ENERGY= 636.5 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ16 o
[ UDC30 ]
C1 ENERGY= 732.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ17 o
[ UDC31 ]
C1 ENERGY= 656.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ18 o
[ UDC32 ]
C1 ENERGY= 694.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ18 o
[ UDC33 ]
C1 ENERGY= 701.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ18 o
[ UDC34 ]
Cs ENERGY= 633.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ19 o
[ UDC35 ]
C1 ENERGY= 716.6 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ20 o
[ UDC36 ]
C1 ENERGY= 721.5 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ21 o
[ UDC37 ]
C1 ENERGY= 645.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ22 o
[ UDC38 ]
C1 ENERGY= 728.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ22 o
[ UDC39 ]
C1 ENERGY= 931.0 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ24 o
[ UDC40 ]
C1 ENERGY= 514.6 kJ/mol
FRAGMENTS:
CO H4CO
CONNECTIONS:
o EQ26 o
[ UDC41 ]
Cs ENERGY= 834.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ28 o
[ UDC42 ]
C1 ENERGY= 852.0 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ28 o
[ UDC43 ]
Cs ENERGY= 873.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ28 o
[ UDC44 ]
C1 ENERGY= 716.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ29 o
[ UDC45 ]
C1 ENERGY= 732.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ29 o
[ UDC46 ]
Cs ENERGY= 868.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ31 o
[ UDC47 ]
Cs ENERGY= 671.2 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ33 o
[ UDC48 ]
C1 ENERGY= 745.2 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ33 o
[ UDC49 ]
C1 ENERGY= 745.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ33 o
[ UDC50 ]
C1 ENERGY= 903.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ33 o
[ UDC51 ]
C1 ENERGY= 855.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ35 o
[ UDC52 ]
C1 ENERGY= 908.0 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ36 o
[ UDC53 ]
C1 ENERGY= 948.2 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ37 o
[ UDC54 ]
C1 ENERGY= 948.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ37 o
[ UDC55 ]
C1 ENERGY= 844.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ38 o
[ UDC56 ]
C1 ENERGY= 944.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ38 o
[ UDC57 ]
C1 ENERGY= 945.6 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ38 o
[ UDC58 ]
C1 ENERGY= 811.2 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ40 o
[ UDC59 ]
C1 ENERGY= 851.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ41 o
[ UDC60 ]
Cs ENERGY= 822.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ43 o
[ UDC61 ]
Cs ENERGY= 1003.1 kJ/mol
FRAGMENTS:
HC H3CO2
CONNECTIONS:
o EQ43 o
[ UDC62 ]
C1 ENERGY= 856.5 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ45 o
[ UDC63 ]
C1 ENERGY= 858.2 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ45 o
[ UDC64 ]
C1 ENERGY= 918.2 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ45 o
[ UDC65 ]
C1 ENERGY= 890.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ48 o
[ UDC66 ]
C1 ENERGY= 894.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ48 o
[ UDC67 ]
C1 ENERGY= 856.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ49 o
[ UDC68 ]
Cs ENERGY= 965.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ51 o
[ UDC69 ]
Cs ENERGY= 514.6 kJ/mol
FRAGMENTS:
H2CO2 H2C
CONNECTIONS:
o EQ53 o
[ UDC70 ]
C1 ENERGY= 865.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ53 o
[ UDC71 ]
C1 ENERGY= 920.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ54 o
[ UDC72 ]
Cs ENERGY= 702.6 kJ/mol
FRAGMENTS:
H4C2O O
CONNECTIONS:
o EQ55 o
[ UDC73 ]
C1 ENERGY= 869.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ55 o
[ UDC74 ]
C1 ENERGY= 930.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ55 o
[ UDC75 ]
Cs ENERGY= 964.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ55 o
[ UDC76 ]
C1 ENERGY= 913.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ58 o
[ UDC77 ]
C1 ENERGY= 932.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ59 o
[ UDC78 ]
C1 ENERGY= 948.6 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ63 o
[ UDC79 ]
C1 ENERGY= 777.2 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ64 o
[ UDC80 ]
C1 ENERGY= 925.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ64 o
[ UDC81 ]
C1 ENERGY= 931.2 kJ/mol
FRAGMENTS:
H3C HCO2
CONNECTIONS:
o EQ66 o
[ UDC82 ]
C1 ENERGY= 984.2 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ71 o
[ UDC83 ]
Cs ENERGY= 954.1 kJ/mol
FRAGMENTS:
H3C HCO2
CONNECTIONS:
o EQ74 o
[ UDC84 ]
C1 ENERGY= 892.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ76 o
[ UDC85 ]
C1 ENERGY= 1149.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ76 o
[ UDC86 ]
C1 ENERGY= 1145.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ77 o
[ UDC87 ]
C1 ENERGY= 1157.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ77 o
[ UDC88 ]
C1 ENERGY= 905.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ78 o
[ UDC89 ]
C1 ENERGY= 1167.1 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ78 o
[ UDC90 ]
C1 ENERGY= 1173.6 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ78 o
[ UDC91 ]
Cs ENERGY= 821.2 kJ/mol
FRAGMENTS:
H4C2O O
CONNECTIONS:
o EQ79 o
[ UDC92 ]
C1 ENERGY= 1131.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ79 o
[ UDC93 ]
C1 ENERGY= 1085.5 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ81 o
[ UDC94 ]
C1 ENERGY= 1114.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ82 o
[ UDC95 ]
C1 ENERGY= 846.0 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ85 o
[ UDC96 ]
C1 ENERGY= 1156.5 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ90 o
[ UDC97 ]
C1 ENERGY= 1158.0 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ91 o
[ UDC98 ]
C1 ENERGY= 1220.5 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ92 o
[ UDC99 ]
C1 ENERGY= 1363.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ93 o
[ UDC100 ]
C1 ENERGY= 1201.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ96 o
[ UDC101 ]
C1 ENERGY= 1201.3 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ97 o
[ UDC102 ]
C1 ENERGY= 1379.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ99 o
[ UDC103 ]
Cs ENERGY= 1233.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ101 o
[ UDC104 ]
C1 ENERGY= 974.8 kJ/mol
FRAGMENTS:
H4C2O O
CONNECTIONS:
o EQ102 o
[ UDC105 ]
Cs ENERGY= 1253.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ102 o
[ UDC106 ]
Cs ENERGY= 1326.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ102 o
[ UDC107 ]
C1 ENERGY= 1330.9 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ102 o
[ UDC108 ]
Cs ENERGY= 961.5 kJ/mol
FRAGMENTS:
H4C2O O
CONNECTIONS:
o EQ103 o
[ UDC109 ]
C1 ENERGY= 1073.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ105 o
[ UDC110 ]
Cs ENERGY= 1273.5 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ107 o
[ UDC111 ]
C1 ENERGY= 1003.2 kJ/mol
FRAGMENTS:
H4C2O O
CONNECTIONS:
o EQ109 o
[ UDC112 ]
C1 ENERGY= 1369.7 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ109 o
[ UDC113 ]
C1 ENERGY= 1423.4 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ116 o
[ UDC114 ]
C1 ENERGY= 1423.6 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ116 o
[ UDC115 ]
C1 ENERGY= 1447.8 kJ/mol
FRAGMENTS:
H3C2O2 H
CONNECTIONS:
o EQ117 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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