Reaction Routes of
H4C3O
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/6-31G*
© 2009 Koichi OHNO
Explored: EQ84 TS586
Cs ENERGY= 0.0 kJ/mol ( -191.9130742 Hartree)
Energy+ZPE= 0.0 kJ/mol ZPE= 0.0612966
CONNECTIONS:
o TS0 ( 5.0) o EQ0
o TS1 (352.0) o EQ0
o TS2 (313.1) o EQ1
o TS3 (327.1) o EQ3
o TS4 (450.9) o EQ11
o TS5 (471.0) o EQ11
o TS6 (438.7) o EQ13
o TS7 (340.6) o EQ17
o TS8 (356.4) o EQ17
o TS9 (361.6) o EQ21
o TS10 (309.1) o EQ23
o TS11 (288.2) o EQ24
o TS12 (290.8) o EQ24
o TS13 (350.9) o DDC0
o TS14 (397.7) o DDC1
o TS15 (407.7) o DDC2
o TS16 (457.9) o DDC3
o TS17 (468.4) o DDC4
o UDC0 o
o UDC1 o
Cs ENERGY= 2.9 kJ/mol ( -191.9119690 Hartree)
Energy+ZPE= 3.8 kJ/mol ZPE= 0.0616439
CONNECTIONS:
o TS2 (313.1) o EQ0
o TS18 (405.8) o EQ1
o TS19 ( 41.7) o EQ2
o TS20 (321.1) o EQ4
o TS21 (368.0) o EQ16
o TS22 (337.3) o EQ20
o TS23 (650.7) o EQ23
o TS24 (315.7) o EQ24
o TS25 (356.3) o EQ36
o TS26 (359.6) o EQ36
o TS27 (426.4) o EQ36
o TS28 (363.3) o EQ37
o TS29 (435.6) o EQ37
o TS30 (436.7) o EQ37
o TS31 (366.4) o EQ43
o TS32 (395.9) o DDC5
o TS33 (398.9) o DDC6
o TS34 (428.8) o DDC7
o TS35 (432.6) o DDC8
o TS36 (591.7) o DDC9
o UDC2 o
o UDC3 o
o UDC4 o
o UDC5 o
o UDC6 o
o UDC7 o
Cs ENERGY= 9.8 kJ/mol ( -191.9093248 Hartree)
Energy+ZPE= 10.9 kJ/mol ZPE= 0.0617014
CONNECTIONS:
o TS19 ( 41.7) o EQ1
o TS37 (433.5) o EQ4
o TS38 (235.7) o EQ5
o TS39 (405.3) o EQ6
o TS40 (433.2) o EQ9
o TS41 (345.9) o EQ14
o TS42 (520.5) o EQ14
o TS43 (432.5) o EQ17
o TS44 (378.8) o EQ19
o TS45 (389.4) o EQ20
o TS46 (321.5) o EQ24
o TS47 (394.7) o EQ25
o TS48 (464.5) o EQ25
o TS49 (441.3) o EQ28
o TS50 (391.8) o EQ31
o TS51 (423.6) o EQ31
o TS52 (374.0) o EQ36
o TS53 (382.4) o EQ37
o TS54 (387.6) o EQ40
o TS55 (367.0) o EQ43
o TS56 (435.7) o EQ43
o TS57 (725.5) o EQ59
o TS58 (571.6) o EQ64
o TS59 (572.3) o EQ64
o TS60 (498.6) o EQ65
o TS61 (616.4) o EQ65
o TS62 (619.7) o EQ78
o TS63 (370.3) o DDC10
o TS64 (394.2) o DDC11
o TS65 (411.6) o DDC12
o TS66 (458.9) o DDC13
o UDC8 o
o UDC9 o
o UDC10 o
o UDC11 o
C2v ENERGY= 84.9 kJ/mol ( -191.8807429 Hartree)
Energy+ZPE= 84.8 kJ/mol ZPE= 0.0612690
CONNECTIONS:
o TS3 (327.1) o EQ0
o TS67 (258.0) o EQ3
o TS68 (277.1) o EQ6
o TS69 (454.3) o EQ12
o TS70 (480.2) o EQ12
o TS71 (478.6) o EQ22
o TS72 (417.5) o EQ36
o TS73 (249.3) o DDC14
o TS74 (363.8) o DDC15
o UDC12 o
o UDC13 o
Cs ENERGY= 121.8 kJ/mol ( -191.8666934 Hartree)
Energy+ZPE= 121.6 kJ/mol ZPE= 0.0612223
CONNECTIONS:
o TS20 (321.1) o EQ1
o TS37 (433.5) o EQ2
o TS75 (293.1) o EQ4
o TS76 (349.9) o EQ4
o TS77 (460.6) o EQ4
o TS78 (460.6) o EQ4
o TS79 (142.3) o EQ7
o TS80 (533.0) o EQ8
o TS81 (517.3) o EQ13
o TS82 (478.8) o EQ15
o TS83 (380.8) o EQ18
o TS84 (492.1) o EQ20
o TS85 (369.6) o EQ24
o TS86 (438.5) o EQ28
o TS87 (478.9) o EQ35
o TS88 (697.7) o EQ35
o TS89 (439.6) o EQ55
o TS90 (444.9) o EQ61
o TS91 (696.8) o EQ61
o TS92 (549.4) o EQ66
o TS93 (598.2) o EQ71
o TS94 (427.0) o DDC16
o TS95 (459.4) o DDC17
o TS96 (512.0) o DDC18
o TS97 (649.8) o DDC19
o TS98 (702.9) o DDC20
Cs ENERGY= 127.6 kJ/mol ( -191.8644742 Hartree)
Energy+ZPE= 132.0 kJ/mol ZPE= 0.0629845
CONNECTIONS:
o TS38 (235.7) o EQ2
o TS99 (410.8) o EQ22
o TS100 (460.0) o EQ29
o TS101 (400.2) o EQ33
o TS102 (459.6) o EQ53
o TS103 (418.3) o EQ56
o TS104 (450.6) o EQ58
o TS105 (422.6) o EQ60
o TS106 (442.8) o EQ62
o TS107 (479.1) o EQ64
o TS108 (602.8) o EQ64
o TS109 (496.3) o EQ65
o TS110 (618.5) o EQ78
o TS111 (625.3) o EQ79
o TS112 (423.6) o DDC21
o TS113 (479.1) o DDC22
o TS114 (672.8) o DDC23
o UDC14 o
o UDC15 o
o UDC16 o
Cs ENERGY= 130.4 kJ/mol ( -191.8633983 Hartree)
Energy+ZPE= 131.9 kJ/mol ZPE= 0.0618680
CONNECTIONS:
o TS39 (405.3) o EQ2
o TS68 (277.1) o EQ3
o TS115 (425.6) o EQ6
o TS116 (476.8) o EQ9
o TS117 (588.9) o EQ11
o TS118 (442.9) o EQ22
o TS119 (553.6) o EQ23
o TS120 (457.5) o EQ49
o TS121 (441.4) o EQ55
o TS122 (456.1) o EQ58
o TS123 (485.7) o EQ59
o TS124 (497.7) o EQ59
o TS125 (459.8) o EQ60
o TS126 (460.1) o EQ63
o TS127 (391.3) o DDC24
o TS128 (540.4) o DDC25
o UDC17 o
o UDC18 o
o UDC19 o
Cs ENERGY= 133.1 kJ/mol ( -191.8623728 Hartree)
Energy+ZPE= 131.4 kJ/mol ZPE= 0.0606504
CONNECTIONS:
o TS79 (142.3) o EQ4
o TS129 (359.4) o EQ7
o TS130 (459.4) o EQ7
o TS131 (468.8) o EQ7
o TS132 (473.6) o EQ7
o TS133 (476.6) o EQ7
o TS134 (537.7) o EQ8
o TS135 (441.7) o EQ9
o TS136 (500.2) o EQ10
o TS137 (533.1) o EQ13
o TS138 (474.1) o EQ15
o TS139 (370.1) o EQ16
o TS140 (472.6) o EQ16
o TS141 (485.3) o EQ18
o TS142 (434.7) o EQ30
o TS143 (708.8) o EQ39
o TS144 (438.5) o EQ40
o TS145 (439.1) o EQ40
o TS146 (426.0) o EQ55
o TS147 (694.5) o EQ55
o TS148 (443.3) o EQ61
o TS149 (566.5) o EQ66
o TS150 (525.4) o DDC26
o TS151 (526.4) o DDC27
o TS152 (557.1) o DDC28
o TS153 (610.9) o DDC29
o TS154 (613.0) o DDC30
o TS155 (645.6) o DDC31
o UDC20 o
C1 ENERGY= 150.4 kJ/mol ( -191.8557731 Hartree)
Energy+ZPE= 148.5 kJ/mol ZPE= 0.0605853
CONNECTIONS:
o TS80 (533.0) o EQ4
o TS134 (537.7) o EQ7
o TS156 (150.4) o EQ8
o TS157 (582.5) o EQ8
o TS158 (450.6) o EQ16
o TS159 (455.3) o EQ16
o TS160 (553.3) o EQ17
o TS161 (466.3) o EQ18
o TS162 (466.9) o EQ18
o TS163 (398.0) o EQ38
o TS164 (440.9) o EQ50
o TS165 (492.0) o DDC32
o TS166 (557.4) o DDC33
o TS167 (557.7) o DDC34
o TS168 (561.3) o DDC35
o TS169 (836.6) o DDC36
o UDC21 o
o UDC22 o
C1 ENERGY= 159.1 kJ/mol ( -191.8524612 Hartree)
Energy+ZPE= 158.3 kJ/mol ZPE= 0.0609879
CONNECTIONS:
o TS40 (433.2) o EQ2
o TS116 (476.8) o EQ6
o TS135 (441.7) o EQ7
o TS170 (163.7) o EQ9
o TS171 (572.4) o EQ9
o TS172 (170.7) o EQ10
o TS173 (660.9) o EQ11
o TS174 (534.6) o EQ12
o TS175 (527.6) o EQ13
o TS176 (535.2) o EQ13
o TS177 (449.5) o EQ31
o TS178 (475.1) o EQ32
o TS179 (391.0) o EQ35
o TS180 (358.8) o EQ39
o TS181 (409.1) o EQ39
o TS182 (351.6) o EQ41
o TS183 (571.7) o EQ56
o TS184 (754.9) o EQ62
o TS185 (477.7) o EQ66
o TS186 (659.7) o EQ66
o TS187 (489.4) o DDC37
o TS188 (525.8) o DDC38
o TS189 (531.8) o DDC39
o TS190 (538.0) o DDC40
o TS191 (565.9) o DDC41
o TS192 (698.5) o DDC42
o UDC23 o
o UDC24 o
o UDC25 o
Cs ENERGY= 168.2 kJ/mol ( -191.8490155 Hartree)
Energy+ZPE= 166.7 kJ/mol ZPE= 0.0607186
CONNECTIONS:
o TS136 (500.2) o EQ7
o TS172 (170.7) o EQ9
o TS193 (488.0) o EQ34
o TS194 (451.7) o EQ40
o TS195 (465.8) o EQ42
o TS196 (361.5) o EQ45
o TS197 (793.5) o EQ53
o TS198 (482.9) o EQ67
o TS199 (525.3) o DDC43
o TS200 (822.4) o DDC44
o UDC26 o
o UDC27 o
[ EQ11 ] Cs ENERGY= 191.0 kJ/mol ( -191.8403290 Hartree)
Energy+ZPE= 189.6 kJ/mol ZPE= 0.0607753
CONNECTIONS:
o TS4 (450.9) o EQ0
o TS5 (471.0) o EQ0
o TS117 (588.9) o EQ6
o TS173 (660.9) o EQ9
o TS201 (196.8) o EQ11
o TS202 (640.7) o EQ11
o TS203 (645.9) o EQ17
o TS204 (709.9) o EQ44
o TS205 (473.9) o EQ49
o TS206 (396.3) o EQ53
o TS207 (398.8) o EQ54
o TS208 (505.5) o EQ54
o TS209 (692.1) o EQ81
o TS210 (558.6) o DDC45
o TS211 (609.4) o DDC46
o TS212 (613.8) o DDC47
o TS213 (686.6) o DDC48
o TS214 (815.0) o DDC49
o TS215 (1041.8) o DDC50
o UDC28 o
[ EQ12 ] Cs ENERGY= 203.2 kJ/mol ( -191.8356905 Hartree)
Energy+ZPE= 204.0 kJ/mol ZPE= 0.0615854
CONNECTIONS:
o TS69 (454.3) o EQ3
o TS70 (480.2) o EQ3
o TS174 (534.6) o EQ9
o TS216 (348.3) o EQ12
o TS217 (356.5) o EQ12
o TS218 (228.0) o EQ13
o TS219 (459.0) o EQ13
o TS220 (575.8) o EQ15
o TS221 (336.2) o EQ18
o TS222 (383.6) o EQ19
o TS223 (615.1) o EQ19
o TS224 (396.0) o EQ38
o TS225 (409.8) o EQ55
o TS226 (419.8) o EQ61
o TS227 (604.5) o EQ71
o TS228 (605.6) o EQ71
o TS229 (609.6) o EQ73
o TS230 (572.5) o DDC51
o UDC29 o
o UDC30 o
[ EQ13 ] Cs ENERGY= 203.7 kJ/mol ( -191.8354805 Hartree)
Energy+ZPE= 204.1 kJ/mol ZPE= 0.0614328
CONNECTIONS:
o TS6 (438.7) o EQ0
o TS81 (517.3) o EQ4
o TS137 (533.1) o EQ7
o TS175 (527.6) o EQ9
o TS176 (535.2) o EQ9
o TS218 (228.0) o EQ12
o TS219 (459.0) o EQ12
o TS231 (362.3) o EQ13
o TS232 (377.0) o EQ13
o TS233 (612.7) o EQ13
o TS234 (566.3) o EQ15
o TS235 (711.0) o EQ15
o TS236 (322.0) o EQ16
o TS237 (602.6) o EQ19
o TS238 (388.1) o EQ21
o TS239 (406.3) o EQ46
o TS240 (411.8) o EQ55
o TS241 (426.8) o EQ61
o TS242 (615.5) o EQ72
o TS243 (622.9) o EQ76
o TS244 (497.5) o DDC52
o TS245 (566.8) o DDC53
o UDC31 o
[ EQ14 ] Cs ENERGY= 206.1 kJ/mol ( -191.8345729 Hartree)
Energy+ZPE= 204.9 kJ/mol ZPE= 0.0608517
CONNECTIONS:
o TS41 (345.9) o EQ2
o TS42 (520.5) o EQ2
o TS246 (441.5) o EQ14
o TS247 (651.8) o EQ14
o TS248 (213.5) o EQ15
o TS249 (436.2) o EQ18
o TS250 (329.9) o EQ28
o TS251 (354.5) o EQ31
o TS252 (330.3) o EQ32
o TS253 (388.7) o EQ35
o TS254 (463.5) o DDC54
o TS255 (673.8) o DDC55
o UDC32 o
o UDC33 o
[ EQ15 ] C1 ENERGY= 209.9 kJ/mol ( -191.8331293 Hartree)
Energy+ZPE= 208.0 kJ/mol ZPE= 0.0605838
CONNECTIONS:
o TS82 (478.8) o EQ4
o TS138 (474.1) o EQ7
o TS220 (575.8) o EQ12
o TS234 (566.3) o EQ13
o TS235 (711.0) o EQ13
o TS248 (213.5) o EQ14
o TS256 (211.7) o EQ15
o TS257 (442.7) o EQ15
o TS258 (671.1) o EQ15
o TS259 (788.9) o EQ15
o TS260 (424.9) o EQ16
o TS261 (335.0) o EQ30
o TS262 (340.3) o EQ34
o TS263 (394.4) o EQ35
o TS264 (390.9) o EQ40
o TS265 (372.4) o EQ42
o TS266 (739.5) o EQ55
o TS267 (729.4) o EQ58
o TS268 (729.9) o EQ60
o TS269 (710.0) o EQ62
o TS270 (480.4) o DDC56
o TS583 (473.6) o xx
o UDC34 o
o UDC35 o
[ EQ16 ] Cs ENERGY= 233.2 kJ/mol ( -191.8242485 Hartree)
Energy+ZPE= 233.0 kJ/mol ZPE= 0.0612030
CONNECTIONS:
o TS21 (368.0) o EQ1
o TS139 (370.1) o EQ7
o TS140 (472.6) o EQ7
o TS158 (450.6) o EQ8
o TS159 (455.3) o EQ8
o TS236 (322.0) o EQ13
o TS260 (424.9) o EQ15
o TS271 (341.7) o EQ18
o TS272 (266.5) o EQ19
o TS273 (585.9) o EQ71
o TS274 (594.9) o EQ73
o TS275 (601.2) o EQ73
o TS276 (554.4) o DDC57
o UDC36 o
o UDC37 o
o UDC38 o
o UDC39 o
[ EQ17 ] C1 ENERGY= 241.6 kJ/mol ( -191.8210646 Hartree)
Energy+ZPE= 239.9 kJ/mol ZPE= 0.0606436
CONNECTIONS:
o TS7 (340.6) o EQ0
o TS8 (356.4) o EQ0
o TS43 (432.5) o EQ2
o TS160 (553.3) o EQ8
o TS203 (645.9) o EQ11
o TS277 (247.0) o EQ17
o TS278 (461.1) o EQ23
o TS279 (487.8) o EQ24
o TS280 (716.8) o EQ54
o TS281 (547.4) o EQ69
o TS282 (362.4) o DDC58
o TS283 (403.1) o DDC59
o TS284 (676.3) o DDC60
o TS285 (731.8) o DDC61
o UDC40 o
[ EQ18 ] Cs ENERGY= 245.5 kJ/mol ( -191.8195601 Hartree)
Energy+ZPE= 242.6 kJ/mol ZPE= 0.0601842
CONNECTIONS:
o TS83 (380.8) o EQ4
o TS141 (485.3) o EQ7
o TS161 (466.3) o EQ8
o TS162 (466.9) o EQ8
o TS221 (336.2) o EQ12
o TS249 (436.2) o EQ14
o TS271 (341.7) o EQ16
o TS286 (271.7) o EQ21
o TS287 (619.1) o EQ74
o TS288 (609.6) o EQ76
o TS289 (618.3) o EQ76
o TS290 (389.1) o DDC62
o UDC41 o
o UDC42 o
[ EQ19 ] C1 ENERGY= 248.7 kJ/mol ( -191.8183652 Hartree)
Energy+ZPE= 248.5 kJ/mol ZPE= 0.0612051
CONNECTIONS:
o TS44 (378.8) o EQ2
o TS222 (383.6) o EQ12
o TS223 (615.1) o EQ12
o TS237 (602.6) o EQ13
o TS272 (266.5) o EQ16
o TS291 (253.6) o EQ19
o TS292 (599.1) o EQ19
o TS293 (352.3) o EQ21
o TS294 (688.4) o EQ21
o TS295 (648.8) o EQ40
o TS296 (488.1) o EQ44
o TS297 (685.8) o EQ62
o TS298 (586.0) o EQ71
o TS299 (595.0) o EQ71
o TS300 (596.9) o EQ71
o TS301 (599.9) o EQ71
o TS302 (599.5) o EQ73
o TS303 (603.0) o EQ73
o TS304 (688.7) o EQ74
o TS305 (603.0) o EQ75
o TS306 (667.4) o DDC63
o TS307 (687.7) o DDC64
o TS308 (721.3) o DDC65
o UDC43 o
o UDC44 o
[ EQ20 ] Cs ENERGY= 250.3 kJ/mol ( -191.8177323 Hartree)
Energy+ZPE= 250.8 kJ/mol ZPE= 0.0614977
CONNECTIONS:
o TS22 (337.3) o EQ1
o TS45 (389.4) o EQ2
o TS84 (492.1) o EQ4
o TS309 (798.6) o EQ23
o TS310 (407.3) o EQ29
o TS311 (383.9) o EQ37
o TS312 (523.7) o EQ60
o TS313 (596.7) o EQ64
o TS314 (702.3) o DDC66
o UDC45 o
o UDC46 o
[ EQ21 ] C1 ENERGY= 253.8 kJ/mol ( -191.8163914 Hartree)
Energy+ZPE= 251.8 kJ/mol ZPE= 0.0605307
CONNECTIONS:
o TS9 (361.6) o EQ0
o TS238 (388.1) o EQ13
o TS286 (271.7) o EQ18
o TS293 (352.3) o EQ19
o TS294 (688.4) o EQ19
o TS315 (272.7) o EQ21
o TS316 (512.8) o EQ44
o TS317 (601.4) o EQ72
o TS318 (602.7) o EQ72
o TS319 (598.3) o EQ74
o TS320 (614.2) o EQ76
o TS321 (439.3) o DDC67
o TS322 (478.4) o DDC68
o TS323 (577.4) o DDC69
o UDC47 o
[ EQ22 ] Cs ENERGY= 268.1 kJ/mol ( -191.8109691 Hartree)
Energy+ZPE= 269.8 kJ/mol ZPE= 0.0619480
CONNECTIONS:
o TS71 (478.6) o EQ3
o TS99 (410.8) o EQ5
o TS118 (442.9) o EQ6
o TS324 (456.4) o EQ49
o TS325 (394.7) o DDC70
o TS326 (417.8) o DDC71
o TS327 (688.3) o DDC72
o TS328 (703.4) o DDC73
o TS329 (707.6) o DDC74
o TS330 (743.8) o DDC75
o UDC48 o
o UDC49 o
[ EQ23 ] C1 ENERGY= 281.6 kJ/mol ( -191.8058227 Hartree)
Energy+ZPE= 273.7 kJ/mol ZPE= 0.0582980
CONNECTIONS:
o TS10 (309.1) o EQ0
o TS23 (650.7) o EQ1
o TS119 (553.6) o EQ6
o TS278 (461.1) o EQ17
o TS309 (798.6) o EQ20
o TS331 (281.9) o EQ23
o TS332 (300.1) o EQ23
o TS333 (376.5) o EQ23
o TS334 (301.7) o EQ24
o TS335 (545.5) o EQ24
o TS336 (460.3) o EQ38
o TS337 (558.1) o EQ69
o TS338 (736.8) o DDC76
[ EQ24 ] C1 ENERGY= 283.5 kJ/mol ( -191.8050868 Hartree)
Energy+ZPE= 275.9 kJ/mol ZPE= 0.0584033
CONNECTIONS:
o TS11 (288.2) o EQ0
o TS12 (290.8) o EQ0
o TS24 (315.7) o EQ1
o TS46 (321.5) o EQ2
o TS85 (369.6) o EQ4
o TS279 (487.8) o EQ17
o TS334 (301.7) o EQ23
o TS335 (545.5) o EQ23
o TS339 (288.8) o EQ24
o TS340 (298.4) o EQ24
o TS341 (594.1) o EQ53
o TS342 (554.4) o EQ70
o TS343 (458.7) o DDC77
[ EQ25 ] Cs ENERGY= 291.4 kJ/mol ( -191.8020997 Hartree)
Energy+ZPE= 287.7 kJ/mol ZPE= 0.0598711
CONNECTIONS:
o TS47 (394.7) o EQ2
o TS48 (464.5) o EQ2
o TS344 (673.2) o EQ25
o TS345 (314.8) o EQ26
o TS346 (407.9) o EQ27
o TS347 (476.0) o EQ52
o TS348 (616.5) o EQ77
o TS349 (626.3) o EQ79
o TS350 (495.6) o DDC78
o TS351 (766.1) o DDC79
o UDC50 o
o UDC51 o
o UDC52 o
o UDC53 o
o UDC54 o
[ EQ26 ] C1 ENERGY= 304.8 kJ/mol ( -191.7969694 Hartree)
Energy+ZPE= 300.3 kJ/mol ZPE= 0.0595837
CONNECTIONS:
o TS345 (314.8) o EQ25
o TS352 (305.1) o EQ26
o TS353 (400.3) o EQ29
o TS354 (413.8) o EQ33
o TS355 (604.1) o EQ68
o TS356 (606.0) o EQ68
o TS357 (620.4) o EQ78
o TS358 (630.8) o EQ79
o TS359 (408.1) o DDC80
o UDC55 o
o UDC56 o
o UDC57 o
[ EQ27 ] Cs ENERGY= 307.5 kJ/mol ( -191.7959495 Hartree)
Energy+ZPE= 302.2 kJ/mol ZPE= 0.0592707
CONNECTIONS:
o TS346 (407.9) o EQ25
o TS360 (323.7) o EQ29
o TS361 (608.6) o EQ69
o TS362 (630.0) o EQ80
o TS363 (643.8) o EQ82
o TS364 (690.9) o EQ82
o TS365 (489.7) o DDC81
o TS366 (553.9) o DDC82
o UDC58 o
[ EQ28 ] Cs ENERGY= 313.4 kJ/mol ( -191.7936972 Hartree)
Energy+ZPE= 310.2 kJ/mol ZPE= 0.0600695
CONNECTIONS:
o TS49 (441.3) o EQ2
o TS86 (438.5) o EQ4
o TS250 (329.9) o EQ14
o TS367 (368.4) o EQ30
o TS368 (427.3) o EQ32
o TS369 (444.1) o DDC83
o UDC59 o
[ EQ29 ] C1 ENERGY= 318.0 kJ/mol ( -191.7919357 Hartree)
Energy+ZPE= 312.8 kJ/mol ZPE= 0.0593236
CONNECTIONS:
o TS100 (460.0) o EQ5
o TS310 (407.3) o EQ20
o TS353 (400.3) o EQ26
o TS360 (323.7) o EQ27
o TS370 (322.9) o EQ29
o TS371 (443.8) o DDC84
o TS372 (634.1) o DDC85
o TS373 (644.9) o DDC86
o TS374 (780.1) o DDC87
o UDC60 o
[ EQ30 ] Cs ENERGY= 321.4 kJ/mol ( -191.7906414 Hartree)
Energy+ZPE= 318.0 kJ/mol ZPE= 0.0600032
CONNECTIONS:
o TS142 (434.7) o EQ7
o TS261 (335.0) o EQ15
o TS367 (368.4) o EQ28
o TS375 (428.1) o EQ34
o TS376 (428.8) o EQ34
o TS377 (460.8) o EQ40
o UDC61 o
[ EQ31 ] Cs ENERGY= 322.5 kJ/mol ( -191.7902488 Hartree)
Energy+ZPE= 318.9 kJ/mol ZPE= 0.0599437
CONNECTIONS:
o TS50 (391.8) o EQ2
o TS51 (423.6) o EQ2
o TS177 (449.5) o EQ9
o TS251 (354.5) o EQ14
o TS378 (385.3) o EQ42
o TS379 (387.4) o EQ42
o TS380 (433.6) o EQ62
o TS381 (691.4) o EQ74
o UDC62 o
o UDC63 o
[ EQ32 ] C1 ENERGY= 324.5 kJ/mol ( -191.7894638 Hartree)
Energy+ZPE= 321.4 kJ/mol ZPE= 0.0600994
CONNECTIONS:
o TS178 (475.1) o EQ9
o TS252 (330.3) o EQ14
o TS368 (427.3) o EQ28
o TS382 (326.2) o EQ32
o TS383 (373.4) o EQ34
o TS384 (646.7) o EQ72
o TS385 (471.4) o DDC88
o TS386 (662.8) o DDC89
o UDC64 o
[ EQ33 ] C2 ENERGY= 328.2 kJ/mol ( -191.7880593 Hartree)
Energy+ZPE= 325.9 kJ/mol ZPE= 0.0604299
CONNECTIONS:
o TS101 (400.2) o EQ5
o TS354 (413.8) o EQ26
o TS387 (356.2) o EQ33
o TS388 (382.8) o EQ43
o UDC65 o
[ EQ34 ] C1 ENERGY= 334.5 kJ/mol ( -191.7856865 Hartree)
Energy+ZPE= 330.8 kJ/mol ZPE= 0.0598848
CONNECTIONS:
o TS193 (488.0) o EQ10
o TS262 (340.3) o EQ15
o TS375 (428.1) o EQ30
o TS376 (428.8) o EQ30
o TS383 (373.4) o EQ32
o TS389 (337.1) o EQ34
o TS390 (632.9) o EQ71
o UDC66 o
[ EQ35 ] C1 ENERGY= 343.4 kJ/mol ( -191.7822615 Hartree)
Energy+ZPE= 338.8 kJ/mol ZPE= 0.0595611
CONNECTIONS:
o TS87 (478.9) o EQ4
o TS88 (697.7) o EQ4
o TS179 (391.0) o EQ9
o TS253 (388.7) o EQ14
o TS263 (394.4) o EQ15
o TS391 (355.5) o EQ39
o TS392 (358.7) o EQ39
o TS393 (351.3) o EQ41
o TS394 (359.5) o EQ44
o TS395 (355.2) o EQ45
o TS396 (617.6) o DDC90
o TS397 (634.5) o DDC91
o TS398 (638.2) o DDC92
o TS399 (708.7) o DDC93
o TS400 (845.3) o DDC94
o UDC67 o
[ EQ36 ] C1 ENERGY= 347.5 kJ/mol ( -191.7807284 Hartree)
Energy+ZPE= 335.9 kJ/mol ZPE= 0.0568625
CONNECTIONS:
o TS25 (356.3) o EQ1
o TS26 (359.6) o EQ1
o TS27 (426.4) o EQ1
o TS52 (374.0) o EQ2
o TS72 (417.5) o EQ3
o TS401 (357.7) o EQ36
o TS402 (369.6) o EQ36
o TS403 (376.0) o EQ37
o TS404 (378.5) o EQ43
o TS405 (485.6) o DDC95
o UDC68 o
[ EQ37 ] C1 ENERGY= 347.8 kJ/mol ( -191.7806035 Hartree)
Energy+ZPE= 336.8 kJ/mol ZPE= 0.0571019
CONNECTIONS:
o TS28 (363.3) o EQ1
o TS29 (435.6) o EQ1
o TS30 (436.7) o EQ1
o TS53 (382.4) o EQ2
o TS311 (383.9) o EQ20
o TS403 (376.0) o EQ36
o TS406 (362.2) o EQ37
o TS407 (360.4) o EQ43
o TS408 (364.5) o EQ43
o TS409 (712.2) o EQ71
o TS410 (455.2) o DDC96
o TS411 (495.6) o DDC97
o UDC69 o
[ EQ38 ] Cs ENERGY= 348.0 kJ/mol ( -191.7805105 Hartree)
Energy+ZPE= 344.2 kJ/mol ZPE= 0.0598678
CONNECTIONS:
o TS163 (398.0) o EQ8
o TS224 (396.0) o EQ12
o TS336 (460.3) o EQ23
o TS412 (361.8) o EQ38
o TS413 (362.9) o EQ50
o TS414 (749.5) o EQ81
o TS415 (631.0) o DDC98
o UDC70 o
[ EQ39 ] C1 ENERGY= 350.2 kJ/mol ( -191.7796944 Hartree)
Energy+ZPE= 345.3 kJ/mol ZPE= 0.0594300
CONNECTIONS:
o TS143 (708.8) o EQ7
o TS180 (358.8) o EQ9
o TS181 (409.1) o EQ9
o TS391 (355.5) o EQ35
o TS392 (358.7) o EQ35
o TS416 (356.4) o EQ44
o TS417 (358.2) o EQ45
o UDC71 o
o UDC72 o
[ EQ40 ] Cs ENERGY= 350.7 kJ/mol ( -191.7794981 Hartree)
Energy+ZPE= 346.4 kJ/mol ZPE= 0.0596553
CONNECTIONS:
o TS54 (387.6) o EQ2
o TS144 (438.5) o EQ7
o TS145 (439.1) o EQ7
o TS194 (451.7) o EQ10
o TS264 (390.9) o EQ15
o TS295 (648.8) o EQ19
o TS377 (460.8) o EQ30
o TS418 (422.6) o EQ42
o TS419 (718.1) o EQ45
o UDC73 o
o UDC74 o
o UDC75 o
[ EQ41 ] C1 ENERGY= 351.3 kJ/mol ( -191.7792702 Hartree)
Energy+ZPE= 340.3 kJ/mol ZPE= 0.0571146
CONNECTIONS:
o TS182 (351.6) o EQ9
o TS393 (351.3) o EQ35
[ EQ42 ] C1 ENERGY= 351.5 kJ/mol ( -191.7791994 Hartree)
Energy+ZPE= 346.3 kJ/mol ZPE= 0.0593209
CONNECTIONS:
o TS195 (465.8) o EQ10
o TS265 (372.4) o EQ15
o TS378 (385.3) o EQ31
o TS379 (387.4) o EQ31
o TS418 (422.6) o EQ40
o TS420 (443.8) o EQ62
o UDC76 o
o UDC77 o
[ EQ43 ] C1 ENERGY= 352.4 kJ/mol ( -191.7788630 Hartree)
Energy+ZPE= 341.4 kJ/mol ZPE= 0.0571114
CONNECTIONS:
o TS31 (366.4) o EQ1
o TS55 (367.0) o EQ2
o TS56 (435.7) o EQ2
o TS388 (382.8) o EQ33
o TS404 (378.5) o EQ36
o TS407 (360.4) o EQ37
o TS408 (364.5) o EQ37
o TS421 (358.3) o EQ43
o TS422 (708.6) o EQ44
o TS423 (469.5) o DDC99
o TS424 (507.1) o DDC100
o UDC78 o
[ EQ44 ] C1 ENERGY= 352.8 kJ/mol ( -191.7787169 Hartree)
Energy+ZPE= 346.7 kJ/mol ZPE= 0.0589577
CONNECTIONS:
o TS204 (709.9) o EQ11
o TS296 (488.1) o EQ19
o TS316 (512.8) o EQ21
o TS394 (359.5) o EQ35
o TS416 (356.4) o EQ39
o TS422 (708.6) o EQ43
o TS425 (362.3) o EQ47
o TS426 (697.7) o DDC101
o TS427 (749.7) o DDC102
o UDC79 o
[ EQ45 ] C1 ENERGY= 355.0 kJ/mol ( -191.7778595 Hartree)
Energy+ZPE= 348.5 kJ/mol ZPE= 0.0588371
CONNECTIONS:
o TS196 (361.5) o EQ10
o TS395 (355.2) o EQ35
o TS417 (358.2) o EQ39
o TS419 (718.1) o EQ40
o TS428 (361.3) o EQ45
o TS429 (365.8) o EQ47
o TS430 (361.2) o EQ48
o UDC80 o
[ EQ46 ] C1 ENERGY= 358.7 kJ/mol ( -191.7764363 Hartree)
Energy+ZPE= 353.6 kJ/mol ZPE= 0.0593407
CONNECTIONS:
o TS239 (406.3) o EQ13
o TS431 (362.8) o EQ50
o TS432 (725.6) o EQ81
o TS433 (642.9) o DDC103
o UDC81 o
[ EQ47 ] Cs ENERGY= 360.3 kJ/mol ( -191.7758478 Hartree)
Energy+ZPE= 353.4 kJ/mol ZPE= 0.0586801
CONNECTIONS:
o TS425 (362.3) o EQ44
o TS429 (365.8) o EQ45
o TS434 (711.5) o DDC104
o TS435 (730.4) o DDC105
o UDC82 o
[ EQ48 ] C1 ENERGY= 361.2 kJ/mol ( -191.7754902 Hartree)
Energy+ZPE= 348.9 kJ/mol ZPE= 0.0566217
CONNECTIONS:
o TS430 (361.2) o EQ45
[ EQ49 ] C1 ENERGY= 362.5 kJ/mol ( -191.7749927 Hartree)
Energy+ZPE= 357.1 kJ/mol ZPE= 0.0592222
CONNECTIONS:
o TS120 (457.5) o EQ6
o TS205 (473.9) o EQ11
o TS324 (456.4) o EQ22
o TS436 (404.8) o EQ49
o TS437 (413.4) o EQ49
o TS438 (465.6) o EQ49
o TS439 (385.8) o EQ52
o TS440 (453.1) o EQ63
o TS441 (574.6) o EQ68
o TS442 (712.2) o EQ83
o TS443 (718.7) o EQ83
o TS444 (620.4) o DDC106
o TS445 (631.6) o DDC107
o TS446 (751.9) o DDC108
o TS447 (863.1) o DDC109
[ EQ50 ] C1 ENERGY= 362.8 kJ/mol ( -191.7748960 Hartree)
Energy+ZPE= 355.8 kJ/mol ZPE= 0.0586462
CONNECTIONS:
o TS164 (440.9) o EQ8
o TS413 (362.9) o EQ38
o TS431 (362.8) o EQ46
o TS448 (372.0) o EQ50
o TS449 (627.1) o EQ50
o TS450 (816.2) o EQ81
o TS451 (657.2) o DDC110
[ EQ51 ] C1 ENERGY= 364.0 kJ/mol ( -191.7744269 Hartree)
Energy+ZPE= 350.3 kJ/mol ZPE= 0.0560881
CONNECTIONS:
o TS452 (629.4) o DDC111
o UDC83 o
[ EQ52 ] Cs ENERGY= 374.2 kJ/mol ( -191.7705605 Hartree)
Energy+ZPE= 359.6 kJ/mol ZPE= 0.0557183
CONNECTIONS:
o TS347 (476.0) o EQ25
o TS439 (385.8) o EQ49
[ EQ53 ] Cs ENERGY= 389.5 kJ/mol ( -191.7647040 Hartree)
Energy+ZPE= 384.4 kJ/mol ZPE= 0.0593374
CONNECTIONS:
o TS102 (459.6) o EQ5
o TS197 (793.5) o EQ10
o TS206 (396.3) o EQ11
o TS341 (594.1) o EQ24
o TS453 (400.4) o EQ53
[ EQ54 ] C1 ENERGY= 398.7 kJ/mol ( -191.7612120 Hartree)
Energy+ZPE= 390.7 kJ/mol ZPE= 0.0582326
CONNECTIONS:
o TS207 (398.8) o EQ11
o TS208 (505.5) o EQ11
o TS280 (716.8) o EQ17
o TS454 (399.6) o EQ54
o TS455 (406.0) o EQ54
o TS456 (742.9) o EQ59
o TS457 (730.6) o EQ81
o TS458 (806.7) o DDC112
o TS459 (807.8) o DDC113
[ EQ55 ] C1 ENERGY= 402.3 kJ/mol ( -191.7598473 Hartree)
Energy+ZPE= 395.1 kJ/mol ZPE= 0.0585643
CONNECTIONS:
o TS89 (439.6) o EQ4
o TS121 (441.4) o EQ6
o TS146 (426.0) o EQ7
o TS147 (694.5) o EQ7
o TS225 (409.8) o EQ12
o TS240 (411.8) o EQ13
o TS266 (739.5) o EQ15
o UDC84 o
o UDC85 o
o UDC86 o
[ EQ56 ] C2v ENERGY= 402.9 kJ/mol ( -191.7596064 Hartree)
Energy+ZPE= 396.9 kJ/mol ZPE= 0.0589943
CONNECTIONS:
o TS103 (418.3) o EQ5
o TS183 (571.7) o EQ9
o TS460 (430.8) o EQ59
o TS461 (690.9) o DDC114
[ EQ57 ] C1 ENERGY= 404.0 kJ/mol ( -191.7591817 Hartree)
Energy+ZPE= 394.7 kJ/mol ZPE= 0.0577622
CONNECTIONS:
o TS462 (413.4) o EQ57
o TS463 (413.8) o EQ57
o TS464 (404.0) o DDC115
[ EQ58 ] C1 ENERGY= 413.0 kJ/mol ( -191.7557756 Hartree)
Energy+ZPE= 409.1 kJ/mol ZPE= 0.0598072
CONNECTIONS:
o TS104 (450.6) o EQ5
o TS122 (456.1) o EQ6
o TS267 (729.4) o EQ15
o TS465 (475.8) o EQ60
o TS466 (484.9) o EQ60
o TS467 (457.7) o EQ65
o TS468 (428.1) o DDC116
o UDC87 o
[ EQ59 ] Cs ENERGY= 415.2 kJ/mol ( -191.7549305 Hartree)
Energy+ZPE= 416.3 kJ/mol ZPE= 0.0617193
CONNECTIONS:
o TS57 (725.5) o EQ2
o TS123 (485.7) o EQ6
o TS124 (497.7) o EQ6
o TS456 (742.9) o EQ54
o TS460 (430.8) o EQ56
o TS469 (711.3) o EQ64
o TS470 (699.5) o EQ78
o TS471 (710.9) o EQ83
o TS472 (722.9) o EQ83
o TS473 (723.4) o DDC117
[ EQ60 ] C1 ENERGY= 417.4 kJ/mol ( -191.7540769 Hartree)
Energy+ZPE= 412.8 kJ/mol ZPE= 0.0595397
CONNECTIONS:
o TS105 (422.6) o EQ5
o TS125 (459.8) o EQ6
o TS268 (729.9) o EQ15
o TS312 (523.7) o EQ20
o TS465 (475.8) o EQ58
o TS466 (484.9) o EQ58
o TS474 (457.2) o EQ64
o TS475 (455.4) o DDC118
o UDC88 o
[ EQ61 ] C1 ENERGY= 418.1 kJ/mol ( -191.7538147 Hartree)
Energy+ZPE= 409.3 kJ/mol ZPE= 0.0579466
CONNECTIONS:
o TS90 (444.9) o EQ4
o TS91 (696.8) o EQ4
o TS148 (443.3) o EQ7
o TS226 (419.8) o EQ12
o TS241 (426.8) o EQ13
o TS476 (807.4) o DDC119
[ EQ62 ] C1 ENERGY= 429.5 kJ/mol ( -191.7495046 Hartree)
Energy+ZPE= 423.8 kJ/mol ZPE= 0.0591331
CONNECTIONS:
o TS106 (442.8) o EQ5
o TS184 (754.9) o EQ9
o TS269 (710.0) o EQ15
o TS297 (685.8) o EQ19
o TS380 (433.6) o EQ31
o TS420 (443.8) o EQ42
o TS477 (449.4) o EQ62
o TS478 (475.4) o EQ62
[ EQ63 ] C1 ENERGY= 452.9 kJ/mol ( -191.7405593 Hartree)
Energy+ZPE= 433.8 kJ/mol ZPE= 0.0540118
CONNECTIONS:
o TS126 (460.1) o EQ6
o TS440 (453.1) o EQ49
[ EQ64 ] C1 ENERGY= 454.0 kJ/mol ( -191.7401527 Hartree)
Energy+ZPE= 450.4 kJ/mol ZPE= 0.0599348
CONNECTIONS:
o TS58 (571.6) o EQ2
o TS59 (572.3) o EQ2
o TS107 (479.1) o EQ5
o TS108 (602.8) o EQ5
o TS313 (596.7) o EQ20
o TS469 (711.3) o EQ59
o TS474 (457.2) o EQ60
o UDC89 o
[ EQ65 ] C1 ENERGY= 457.5 kJ/mol ( -191.7388350 Hartree)
Energy+ZPE= 453.5 kJ/mol ZPE= 0.0597893
CONNECTIONS:
o TS60 (498.6) o EQ2
o TS61 (616.4) o EQ2
o TS109 (496.3) o EQ5
o TS467 (457.7) o EQ58
o TS479 (769.8) o EQ78
o TS480 (669.6) o DDC120
o UDC90 o
[ EQ66 ] C1 ENERGY= 463.4 kJ/mol ( -191.7365651 Hartree)
Energy+ZPE= 447.0 kJ/mol ZPE= 0.0550375
CONNECTIONS:
o TS92 (549.4) o EQ4
o TS149 (566.5) o EQ7
o TS185 (477.7) o EQ9
o TS186 (659.7) o EQ9
o TS481 (468.3) o EQ67
o TS482 (578.5) o DDC121
[ EQ67 ] C1 ENERGY= 467.9 kJ/mol ( -191.7348556 Hartree)
Energy+ZPE= 447.6 kJ/mol ZPE= 0.0535571
CONNECTIONS:
o TS198 (482.9) o EQ10
o TS481 (468.3) o EQ66
o TS483 (471.5) o DDC122
[ EQ68 ] C1 ENERGY= 505.8 kJ/mol ( -191.7204359 Hartree)
Energy+ZPE= 495.6 kJ/mol ZPE= 0.0574255
CONNECTIONS:
o TS355 (604.1) o EQ26
o TS356 (606.0) o EQ26
o TS441 (574.6) o EQ49
o TS484 (508.2) o EQ68
o TS485 (662.7) o EQ68
o TS486 (899.2) o EQ68
o TS487 (552.7) o EQ69
o TS488 (549.9) o EQ70
o TS489 (639.9) o DDC123
o TS490 (767.4) o DDC124
o TS491 (945.4) o DDC125
o UDC91 o
[ EQ69 ] C1 ENERGY= 543.0 kJ/mol ( -191.7062468 Hartree)
Energy+ZPE= 528.7 kJ/mol ZPE= 0.0558535
CONNECTIONS:
o TS281 (547.4) o EQ17
o TS337 (558.1) o EQ23
o TS361 (608.6) o EQ27
o TS487 (552.7) o EQ68
o TS492 (543.2) o EQ69
o TS493 (545.7) o EQ69
o TS494 (783.7) o DDC126
o TS495 (832.8) o DDC127
[ EQ70 ] C1 ENERGY= 549.0 kJ/mol ( -191.7039600 Hartree)
Energy+ZPE= 533.9 kJ/mol ZPE= 0.0555424
CONNECTIONS:
o TS342 (554.4) o EQ24
o TS488 (549.9) o EQ68
o TS496 (552.3) o EQ70
o TS497 (786.7) o DDC128
[ EQ71 ] C1 ENERGY= 575.3 kJ/mol ( -191.6939359 Hartree)
Energy+ZPE= 563.4 kJ/mol ZPE= 0.0567579
CONNECTIONS:
o TS93 (598.2) o EQ4
o TS227 (604.5) o EQ12
o TS228 (605.6) o EQ12
o TS273 (585.9) o EQ16
o TS298 (586.0) o EQ19
o TS299 (595.0) o EQ19
o TS300 (596.9) o EQ19
o TS301 (599.9) o EQ19
o TS390 (632.9) o EQ34
o TS409 (712.2) o EQ37
o TS498 (680.7) o EQ72
o TS499 (702.6) o DDC129
[ EQ72 ] C1 ENERGY= 586.6 kJ/mol ( -191.6896345 Hartree)
Energy+ZPE= 572.3 kJ/mol ZPE= 0.0558641
CONNECTIONS:
o TS242 (615.5) o EQ13
o TS317 (601.4) o EQ21
o TS318 (602.7) o EQ21
o TS384 (646.7) o EQ32
o TS498 (680.7) o EQ71
o TS500 (610.9) o EQ72
o TS501 (611.9) o EQ74
o TS502 (601.6) o DDC130
o TS503 (678.6) o DDC131
[ EQ73 ] C1 ENERGY= 592.1 kJ/mol ( -191.6875486 Hartree)
Energy+ZPE= 578.6 kJ/mol ZPE= 0.0561406
CONNECTIONS:
o TS229 (609.6) o EQ12
o TS274 (594.9) o EQ16
o TS275 (601.2) o EQ16
o TS302 (599.5) o EQ19
o TS303 (603.0) o EQ19
o TS504 (601.5) o EQ75
o TS505 (706.4) o EQ76
o TS506 (709.1) o EQ76
o TS507 (709.0) o DDC132
o UDC92 o
[ EQ74 ] C1 ENERGY= 592.8 kJ/mol ( -191.6872794 Hartree)
Energy+ZPE= 577.9 kJ/mol ZPE= 0.0556094
CONNECTIONS:
o TS287 (619.1) o EQ18
o TS304 (688.7) o EQ19
o TS319 (598.3) o EQ21
o TS381 (691.4) o EQ31
o TS501 (611.9) o EQ72
o TS508 (605.0) o EQ74
o TS509 (619.0) o DDC133
o TS510 (639.3) o DDC134
o TS511 (726.8) o DDC135
[ EQ75 ] C1 ENERGY= 601.4 kJ/mol ( -191.6840106 Hartree)
Energy+ZPE= 586.7 kJ/mol ZPE= 0.0557154
CONNECTIONS:
o TS305 (603.0) o EQ19
o TS504 (601.5) o EQ73
[ EQ76 ] C1 ENERGY= 603.0 kJ/mol ( -191.6834143 Hartree)
Energy+ZPE= 586.7 kJ/mol ZPE= 0.0550709
CONNECTIONS:
o TS243 (622.9) o EQ13
o TS288 (609.6) o EQ18
o TS289 (618.3) o EQ18
o TS320 (614.2) o EQ21
o TS505 (706.4) o EQ73
o TS506 (709.1) o EQ73
o TS512 (619.9) o EQ76
o TS513 (615.1) o DDC136
o TS514 (678.3) o DDC137
o TS515 (681.8) o DDC138
[ EQ77 ] C1 ENERGY= 613.2 kJ/mol ( -191.6795197 Hartree)
Energy+ZPE= 597.0 kJ/mol ZPE= 0.0551389
CONNECTIONS:
o TS348 (616.5) o EQ25
o TS516 (621.0) o EQ77
o TS517 (618.3) o EQ78
o TS518 (682.5) o EQ79
o TS519 (629.9) o DDC139
o UDC93 o
[ EQ78 ] C1 ENERGY= 613.2 kJ/mol ( -191.6795049 Hartree)
Energy+ZPE= 597.5 kJ/mol ZPE= 0.0553324
CONNECTIONS:
o TS62 (619.7) o EQ2
o TS110 (618.5) o EQ5
o TS357 (620.4) o EQ26
o TS470 (699.5) o EQ59
o TS479 (769.8) o EQ65
o TS517 (618.3) o EQ77
o TS520 (617.3) o EQ78
o TS521 (678.6) o EQ79
o TS522 (741.3) o EQ80
o TS523 (828.4) o DDC140
[ EQ79 ] C1 ENERGY= 618.3 kJ/mol ( -191.6775784 Hartree)
Energy+ZPE= 602.4 kJ/mol ZPE= 0.0552453
CONNECTIONS:
o TS111 (625.3) o EQ5
o TS349 (626.3) o EQ25
o TS358 (630.8) o EQ26
o TS518 (682.5) o EQ77
o TS521 (678.6) o EQ78
o TS524 (626.7) o EQ79
o TS525 (645.5) o DDC141
o UDC94 o
[ EQ80 ] C1 ENERGY= 623.4 kJ/mol ( -191.6756199 Hartree)
Energy+ZPE= 604.5 kJ/mol ZPE= 0.0540955
CONNECTIONS:
o TS362 (630.0) o EQ27
o TS522 (741.3) o EQ78
o TS526 (635.8) o EQ80
o TS527 (624.0) o DDC142
o TS528 (637.7) o DDC143
[ EQ81 ] C1 ENERGY= 625.4 kJ/mol ( -191.6748713 Hartree)
Energy+ZPE= 622.8 kJ/mol ZPE= 0.0602903
CONNECTIONS:
o TS209 (692.1) o EQ11
o TS414 (749.5) o EQ38
o TS432 (725.6) o EQ46
o TS450 (816.2) o EQ50
o TS457 (730.6) o EQ54
o TS529 (635.0) o EQ81
o TS530 (639.6) o EQ81
o TS531 (719.1) o EQ81
o TS532 (727.9) o DDC144
o TS533 (814.9) o DDC145
o TS534 (817.7) o DDC146
o TS535 (886.3) o DDC147
o TS536 (1017.0) o DDC148
o UDC95 o
o UDC96 o
o UDC97 o
[ EQ82 ] C1 ENERGY= 633.8 kJ/mol ( -191.6716541 Hartree)
Energy+ZPE= 615.7 kJ/mol ZPE= 0.0544164
CONNECTIONS:
o TS363 (643.8) o EQ27
o TS364 (690.9) o EQ27
o TS537 (644.8) o EQ82
o TS538 (638.6) o DDC149
o TS539 (642.1) o DDC150
[ EQ83 ] C1 ENERGY= 702.0 kJ/mol ( -191.6457096 Hartree)
Energy+ZPE= 691.8 kJ/mol ZPE= 0.0574140
CONNECTIONS:
o TS442 (712.2) o EQ49
o TS443 (718.7) o EQ49
o TS471 (710.9) o EQ59
o TS472 (722.9) o EQ59
o TS540 (717.9) o EQ83
o TS541 (726.8) o EQ83
o TS542 (891.6) o DDC151
[ TS0 ] Animation Cs ENERGY= 5.0 kJ/mol
Energy+ZPE= 4.1 kJ/mol ZPE= 0.0609716
CONNECTIONS:
o EQ0 o EQ0
[ TS1 ] Animation C1 ENERGY= 352.0 kJ/mol
Energy+ZPE= 340.5 kJ/mol ZPE= 0.0568997
CONNECTIONS:
o EQ0 o EQ0
[ TS2 ] Animation C1 ENERGY= 313.1 kJ/mol
Energy+ZPE= 299.4 kJ/mol ZPE= 0.0560807
CONNECTIONS:
o EQ0 o EQ1
[ TS3 ] Animation C1 ENERGY= 327.1 kJ/mol
Energy+ZPE= 315.2 kJ/mol ZPE= 0.0567584
CONNECTIONS:
o EQ0 o EQ3
[ TS4 ] Animation C1 ENERGY= 450.9 kJ/mol
Energy+ZPE= 436.3 kJ/mol ZPE= 0.0557227
CONNECTIONS:
o EQ0 o EQ11
[ TS5 ] Animation C1 ENERGY= 471.0 kJ/mol
Energy+ZPE= 458.4 kJ/mol ZPE= 0.0565033
CONNECTIONS:
o EQ0 o EQ11
[ TS6 ] Animation Cs ENERGY= 438.7 kJ/mol
Energy+ZPE= 421.1 kJ/mol ZPE= 0.0545958
CONNECTIONS:
o EQ0 o EQ13
[ TS7 ] Animation C1 ENERGY= 340.6 kJ/mol
Energy+ZPE= 329.6 kJ/mol ZPE= 0.0571015
CONNECTIONS:
o EQ0 o EQ17
[ TS8 ] Animation C1 ENERGY= 356.4 kJ/mol
Energy+ZPE= 343.9 kJ/mol ZPE= 0.0565384
CONNECTIONS:
o EQ0 o EQ17
[ TS9 ] Animation C1 ENERGY= 361.6 kJ/mol
Energy+ZPE= 347.5 kJ/mol ZPE= 0.0559380
CONNECTIONS:
o EQ0 o EQ21
[ TS10 ] Animation C1 ENERGY= 309.1 kJ/mol
Energy+ZPE= 297.0 kJ/mol ZPE= 0.0566737
CONNECTIONS:
o EQ0 o EQ23
[ TS11 ] Animation C1 ENERGY= 288.2 kJ/mol
Energy+ZPE= 276.6 kJ/mol ZPE= 0.0568729
CONNECTIONS:
o EQ0 o EQ24
[ TS12 ] Animation C1 ENERGY= 290.8 kJ/mol
Energy+ZPE= 278.6 kJ/mol ZPE= 0.0566433
CONNECTIONS:
o EQ0 o EQ24
[ TS13 ] Animation C1 ENERGY= 350.9 kJ/mol
Energy+ZPE= 336.2 kJ/mol ZPE= 0.0557144
CONNECTIONS:
o EQ0 o DDC0
[ TS14 ] Animation C1 ENERGY= 397.7 kJ/mol
Energy+ZPE= 369.3 kJ/mol ZPE= 0.0504825
CONNECTIONS:
o EQ0 o DDC1
[ TS15 ] Animation C1 ENERGY= 407.7 kJ/mol
Energy+ZPE= 379.6 kJ/mol ZPE= 0.0506058
CONNECTIONS:
o EQ0 o DDC2
[ TS16 ] Animation C1 ENERGY= 457.9 kJ/mol
Energy+ZPE= 429.0 kJ/mol ZPE= 0.0502901
CONNECTIONS:
o EQ0 o DDC3
[ TS17 ] Animation C1 ENERGY= 468.4 kJ/mol
Energy+ZPE= 442.5 kJ/mol ZPE= 0.0514434
CONNECTIONS:
o EQ0 o DDC4
[ TS18 ] Animation Cs ENERGY= 405.8 kJ/mol
Energy+ZPE= 385.8 kJ/mol ZPE= 0.0536602
CONNECTIONS:
o EQ1 o EQ1
[ TS19 ] Animation C1 ENERGY= 41.7 kJ/mol
Energy+ZPE= 39.8 kJ/mol ZPE= 0.0605788
CONNECTIONS:
o EQ1 o EQ2
[ TS20 ] Animation C1 ENERGY= 321.1 kJ/mol
Energy+ZPE= 306.6 kJ/mol ZPE= 0.0557662
CONNECTIONS:
o EQ1 o EQ4
[ TS21 ] Animation Cs ENERGY= 368.0 kJ/mol
Energy+ZPE= 352.9 kJ/mol ZPE= 0.0555421
CONNECTIONS:
o EQ1 o EQ16
[ TS22 ] Animation C1 ENERGY= 337.3 kJ/mol
Energy+ZPE= 330.7 kJ/mol ZPE= 0.0587873
CONNECTIONS:
o EQ1 o EQ20
[ TS23 ] Animation C1 ENERGY= 650.7 kJ/mol
Energy+ZPE= 629.0 kJ/mol ZPE= 0.0530223
CONNECTIONS:
o EQ1 o EQ23
[ TS24 ] Animation C1 ENERGY= 315.7 kJ/mol
Energy+ZPE= 302.1 kJ/mol ZPE= 0.0561168
CONNECTIONS:
o EQ1 o EQ24
[ TS25 ] Animation C1 ENERGY= 356.3 kJ/mol
Energy+ZPE= 341.6 kJ/mol ZPE= 0.0556936
CONNECTIONS:
o EQ1 o EQ36
[ TS26 ] Animation C1 ENERGY= 359.6 kJ/mol
Energy+ZPE= 350.0 kJ/mol ZPE= 0.0576463
CONNECTIONS:
o EQ1 o EQ36
[ TS27 ] Animation C1 ENERGY= 426.4 kJ/mol
Energy+ZPE= 409.2 kJ/mol ZPE= 0.0547332
CONNECTIONS:
o EQ1 o EQ36
[ TS28 ] Animation C1 ENERGY= 363.3 kJ/mol
Energy+ZPE= 348.2 kJ/mol ZPE= 0.0555367
CONNECTIONS:
o EQ1 o EQ37
[ TS29 ] Animation C1 ENERGY= 435.6 kJ/mol
Energy+ZPE= 422.6 kJ/mol ZPE= 0.0563597
CONNECTIONS:
o EQ1 o EQ37
[ TS30 ] Animation C1 ENERGY= 436.7 kJ/mol
Energy+ZPE= 419.4 kJ/mol ZPE= 0.0547221
CONNECTIONS:
o EQ1 o EQ37
[ TS31 ] Animation C1 ENERGY= 366.4 kJ/mol
Energy+ZPE= 355.9 kJ/mol ZPE= 0.0573114
CONNECTIONS:
o EQ1 o EQ43
[ TS32 ] Animation C1 ENERGY= 395.9 kJ/mol
Energy+ZPE= 378.7 kJ/mol ZPE= 0.0547312
CONNECTIONS:
o EQ1 o DDC5
[ TS33 ] Animation Cs ENERGY= 398.9 kJ/mol
Energy+ZPE= 366.4 kJ/mol ZPE= 0.0489006
CONNECTIONS:
o EQ1 o DDC6
[ TS34 ] Animation Cs ENERGY= 428.8 kJ/mol
Energy+ZPE= 400.4 kJ/mol ZPE= 0.0504622
CONNECTIONS:
o EQ1 o DDC7
[ TS35 ] Animation C1 ENERGY= 432.6 kJ/mol
Energy+ZPE= 413.3 kJ/mol ZPE= 0.0539292
CONNECTIONS:
o EQ1 o DDC8
[ TS36 ] Animation Cs ENERGY= 591.7 kJ/mol
Energy+ZPE= 568.5 kJ/mol ZPE= 0.0524636
CONNECTIONS:
o EQ1 o DDC9
[ TS37 ] Animation C1 ENERGY= 433.5 kJ/mol
Energy+ZPE= 417.2 kJ/mol ZPE= 0.0550808
CONNECTIONS:
o EQ2 o EQ4
[ TS38 ] Animation C1 ENERGY= 235.7 kJ/mol
Energy+ZPE= 233.6 kJ/mol ZPE= 0.0605149
CONNECTIONS:
o EQ2 o EQ5
[ TS39 ] Animation C1 ENERGY= 405.3 kJ/mol
Energy+ZPE= 390.4 kJ/mol ZPE= 0.0556296
CONNECTIONS:
o EQ2 o EQ6
[ TS40 ] Animation C1 ENERGY= 433.2 kJ/mol
Energy+ZPE= 418.0 kJ/mol ZPE= 0.0555048
CONNECTIONS:
o EQ2 o EQ9
[ TS41 ] Animation C1 ENERGY= 345.9 kJ/mol
Energy+ZPE= 340.9 kJ/mol ZPE= 0.0593852
CONNECTIONS:
o EQ2 o EQ14
[ TS42 ] Animation C1 ENERGY= 520.5 kJ/mol
Energy+ZPE= 502.9 kJ/mol ZPE= 0.0546062
CONNECTIONS:
o EQ2 o EQ14
[ TS43 ] Animation C1 ENERGY= 432.5 kJ/mol
Energy+ZPE= 419.0 kJ/mol ZPE= 0.0561627
CONNECTIONS:
o EQ2 o EQ17
[ TS44 ] Animation C1 ENERGY= 378.8 kJ/mol
Energy+ZPE= 363.6 kJ/mol ZPE= 0.0555113
CONNECTIONS:
o EQ2 o EQ19
[ TS45 ] Animation C1 ENERGY= 389.4 kJ/mol
Energy+ZPE= 381.0 kJ/mol ZPE= 0.0581033
CONNECTIONS:
o EQ2 o EQ20
[ TS46 ] Animation C1 ENERGY= 321.5 kJ/mol
Energy+ZPE= 307.6 kJ/mol ZPE= 0.0560196
CONNECTIONS:
o EQ2 o EQ24
[ TS47 ] Animation C1 ENERGY= 394.7 kJ/mol
Energy+ZPE= 385.4 kJ/mol ZPE= 0.0577429
CONNECTIONS:
o EQ2 o EQ25
[ TS48 ] Animation C1 ENERGY= 464.5 kJ/mol
Energy+ZPE= 450.6 kJ/mol ZPE= 0.0560179
CONNECTIONS:
o EQ2 o EQ25
[ TS49 ] Animation C1 ENERGY= 441.3 kJ/mol
Energy+ZPE= 429.1 kJ/mol ZPE= 0.0566419
CONNECTIONS:
o EQ2 o EQ28
[ TS50 ] Animation Cs ENERGY= 391.8 kJ/mol
Energy+ZPE= 376.6 kJ/mol ZPE= 0.0555245
CONNECTIONS:
o EQ2 o EQ31
[ TS51 ] Animation C1 ENERGY= 423.6 kJ/mol
Energy+ZPE= 409.2 kJ/mol ZPE= 0.0558291
CONNECTIONS:
o EQ2 o EQ31
[ TS52 ] Animation C1 ENERGY= 374.0 kJ/mol
Energy+ZPE= 358.5 kJ/mol ZPE= 0.0553780
CONNECTIONS:
o EQ2 o EQ36
[ TS53 ] Animation C1 ENERGY= 382.4 kJ/mol
Energy+ZPE= 372.7 kJ/mol ZPE= 0.0576114
CONNECTIONS:
o EQ2 o EQ37
[ TS54 ] Animation C1 ENERGY= 387.6 kJ/mol
Energy+ZPE= 377.2 kJ/mol ZPE= 0.0573242
CONNECTIONS:
o EQ2 o EQ40
[ TS55 ] Animation C1 ENERGY= 367.0 kJ/mol
Energy+ZPE= 352.4 kJ/mol ZPE= 0.0557241
CONNECTIONS:
o EQ2 o EQ43
[ TS56 ] Animation C1 ENERGY= 435.7 kJ/mol
Energy+ZPE= 418.6 kJ/mol ZPE= 0.0547998
CONNECTIONS:
o EQ2 o EQ43
[ TS57 ] Animation C1 ENERGY= 725.5 kJ/mol
Energy+ZPE= 708.2 kJ/mol ZPE= 0.0547094
CONNECTIONS:
o EQ2 o EQ59
[ TS58 ] Animation C1 ENERGY= 571.6 kJ/mol
Energy+ZPE= 562.3 kJ/mol ZPE= 0.0577599
CONNECTIONS:
o EQ2 o EQ64
[ TS59 ] Animation C1 ENERGY= 572.3 kJ/mol
Energy+ZPE= 561.7 kJ/mol ZPE= 0.0572742
CONNECTIONS:
o EQ2 o EQ64
[ TS60 ] Animation C1 ENERGY= 498.6 kJ/mol
Energy+ZPE= 492.7 kJ/mol ZPE= 0.0590305
CONNECTIONS:
o EQ2 o EQ65
[ TS61 ] Animation C1 ENERGY= 616.4 kJ/mol
Energy+ZPE= 608.1 kJ/mol ZPE= 0.0581415
CONNECTIONS:
o EQ2 o EQ65
[ TS62 ] Animation C1 ENERGY= 619.7 kJ/mol
Energy+ZPE= 599.6 kJ/mol ZPE= 0.0536335
CONNECTIONS:
o EQ2 o EQ78
[ TS63 ] Animation C1 ENERGY= 370.3 kJ/mol
Energy+ZPE= 352.6 kJ/mol ZPE= 0.0545605
CONNECTIONS:
o EQ2 o DDC10
[ TS64 ] Animation C1 ENERGY= 394.2 kJ/mol
Energy+ZPE= 373.1 kJ/mol ZPE= 0.0532778
CONNECTIONS:
o EQ2 o DDC11
[ TS65 ] Animation C1 ENERGY= 411.6 kJ/mol
Energy+ZPE= 393.9 kJ/mol ZPE= 0.0545411
CONNECTIONS:
o EQ2 o DDC12
[ TS66 ] Animation Cs ENERGY= 458.9 kJ/mol
Energy+ZPE= 439.6 kJ/mol ZPE= 0.0539364
CONNECTIONS:
o EQ2 o DDC13
[ TS67 ] Animation Cs ENERGY= 258.0 kJ/mol
Energy+ZPE= 249.2 kJ/mol ZPE= 0.0579449
CONNECTIONS:
o EQ3 o EQ3
[ TS68 ] Animation C1 ENERGY= 277.1 kJ/mol
Energy+ZPE= 269.2 kJ/mol ZPE= 0.0582807
CONNECTIONS:
o EQ3 o EQ6
[ TS69 ] Animation C1 ENERGY= 454.3 kJ/mol
Energy+ZPE= 433.9 kJ/mol ZPE= 0.0535346
CONNECTIONS:
o EQ3 o EQ12
[ TS70 ] Animation C1 ENERGY= 480.2 kJ/mol
Energy+ZPE= 463.6 kJ/mol ZPE= 0.0549659
CONNECTIONS:
o EQ3 o EQ12
[ TS71 ] Animation C1 ENERGY= 478.6 kJ/mol
Energy+ZPE= 471.7 kJ/mol ZPE= 0.0586586
CONNECTIONS:
o EQ3 o EQ22
[ TS72 ] Animation C1 ENERGY= 417.5 kJ/mol
Energy+ZPE= 405.4 kJ/mol ZPE= 0.0566871
CONNECTIONS:
o EQ3 o EQ36
[ TS73 ] Animation Cs ENERGY= 249.3 kJ/mol
Energy+ZPE= 241.6 kJ/mol ZPE= 0.0583781
CONNECTIONS:
o EQ3 o DDC14
[ TS74 ] Animation C1 ENERGY= 363.8 kJ/mol
Energy+ZPE= 353.0 kJ/mol ZPE= 0.0571900
CONNECTIONS:
o EQ3 o DDC15
[ TS75 ] Animation Cs ENERGY= 293.1 kJ/mol
Energy+ZPE= 288.5 kJ/mol ZPE= 0.0595307
CONNECTIONS:
o EQ4 o EQ4
[ TS76 ] Animation Cs ENERGY= 349.9 kJ/mol
Energy+ZPE= 345.4 kJ/mol ZPE= 0.0595889
CONNECTIONS:
o EQ4 o EQ4
[ TS77 ] Animation C1 ENERGY= 460.6 kJ/mol
Energy+ZPE= 450.4 kJ/mol ZPE= 0.0574244
CONNECTIONS:
o EQ4 o EQ4
[ TS78 ] Animation C1 ENERGY= 460.6 kJ/mol
Energy+ZPE= 450.7 kJ/mol ZPE= 0.0575116
CONNECTIONS:
o EQ4 o EQ4
[ TS79 ] Animation C1 ENERGY= 142.3 kJ/mol
Energy+ZPE= 138.6 kJ/mol ZPE= 0.0598746
CONNECTIONS:
o EQ4 o EQ7
[ TS80 ] Animation C1 ENERGY= 533.0 kJ/mol
Energy+ZPE= 519.4 kJ/mol ZPE= 0.0561308
CONNECTIONS:
o EQ4 o EQ8
[ TS81 ] Animation C1 ENERGY= 517.3 kJ/mol
Energy+ZPE= 508.4 kJ/mol ZPE= 0.0579117
CONNECTIONS:
o EQ4 o EQ13
[ TS82 ] Animation C1 ENERGY= 478.8 kJ/mol
Energy+ZPE= 465.7 kJ/mol ZPE= 0.0563100
CONNECTIONS:
o EQ4 o EQ15
[ TS83 ] Animation C1 ENERGY= 380.8 kJ/mol
Energy+ZPE= 366.0 kJ/mol ZPE= 0.0556458
CONNECTIONS:
o EQ4 o EQ18
[ TS84 ] Animation C1 ENERGY= 492.1 kJ/mol
Energy+ZPE= 476.8 kJ/mol ZPE= 0.0554795
CONNECTIONS:
o EQ4 o EQ20
[ TS85 ] Animation C1 ENERGY= 369.6 kJ/mol
Energy+ZPE= 354.3 kJ/mol ZPE= 0.0554838
CONNECTIONS:
o EQ4 o EQ24
[ TS86 ] Animation C1 ENERGY= 438.5 kJ/mol
Energy+ZPE= 421.5 kJ/mol ZPE= 0.0548254
CONNECTIONS:
o EQ4 o EQ28
[ TS87 ] Animation C1 ENERGY= 478.9 kJ/mol
Energy+ZPE= 465.6 kJ/mol ZPE= 0.0562153
CONNECTIONS:
o EQ4 o EQ35
[ TS88 ] Animation C1 ENERGY= 697.7 kJ/mol
Energy+ZPE= 682.6 kJ/mol ZPE= 0.0555323
CONNECTIONS:
o EQ4 o EQ35
[ TS89 ] Animation C1 ENERGY= 439.6 kJ/mol
Energy+ZPE= 429.6 kJ/mol ZPE= 0.0574877
CONNECTIONS:
o EQ4 o EQ55
[ TS90 ] Animation C1 ENERGY= 444.9 kJ/mol
Energy+ZPE= 434.2 kJ/mol ZPE= 0.0572137
CONNECTIONS:
o EQ4 o EQ61
[ TS91 ] Animation C1 ENERGY= 696.8 kJ/mol
Energy+ZPE= 684.9 kJ/mol ZPE= 0.0567540
CONNECTIONS:
o EQ4 o EQ61
[ TS92 ] Animation C1 ENERGY= 549.4 kJ/mol
Energy+ZPE= 530.3 kJ/mol ZPE= 0.0540298
CONNECTIONS:
o EQ4 o EQ66
[ TS93 ] Animation C1 ENERGY= 598.2 kJ/mol
Energy+ZPE= 589.2 kJ/mol ZPE= 0.0578606
CONNECTIONS:
o EQ4 o EQ71
[ TS94 ] Animation C1 ENERGY= 427.0 kJ/mol
Energy+ZPE= 403.3 kJ/mol ZPE= 0.0522879
CONNECTIONS:
o EQ4 o DDC16
[ TS95 ] Animation C1 ENERGY= 459.4 kJ/mol
Energy+ZPE= 438.1 kJ/mol ZPE= 0.0531720
CONNECTIONS:
o EQ4 o DDC17
[ TS96 ] Animation C1 ENERGY= 512.0 kJ/mol
Energy+ZPE= 484.7 kJ/mol ZPE= 0.0508882
CONNECTIONS:
o EQ4 o DDC18
[ TS97 ] Animation C1 ENERGY= 649.8 kJ/mol
Energy+ZPE= 629.0 kJ/mol ZPE= 0.0533766
CONNECTIONS:
o EQ4 o DDC19
[ TS98 ] Animation C1 ENERGY= 702.9 kJ/mol
Energy+ZPE= 672.0 kJ/mol ZPE= 0.0495236
CONNECTIONS:
o EQ4 o DDC20
[ TS99 ] Animation C1 ENERGY= 410.8 kJ/mol
Energy+ZPE= 401.5 kJ/mol ZPE= 0.0577448
CONNECTIONS:
o EQ5 o EQ22
[ TS100 ] Animation C1 ENERGY= 460.0 kJ/mol
Energy+ZPE= 448.0 kJ/mol ZPE= 0.0567442
CONNECTIONS:
o EQ5 o EQ29
[ TS101 ] Animation C1 ENERGY= 400.2 kJ/mol
Energy+ZPE= 390.0 kJ/mol ZPE= 0.0573966
CONNECTIONS:
o EQ5 o EQ33
[ TS102 ] Animation C1 ENERGY= 459.6 kJ/mol
Energy+ZPE= 448.9 kJ/mol ZPE= 0.0572256
CONNECTIONS:
o EQ5 o EQ53
[ TS103 ] Animation C1 ENERGY= 418.3 kJ/mol
Energy+ZPE= 410.2 kJ/mol ZPE= 0.0582019
CONNECTIONS:
o EQ5 o EQ56
[ TS104 ] Animation C1 ENERGY= 450.6 kJ/mol
Energy+ZPE= 445.0 kJ/mol ZPE= 0.0591664
CONNECTIONS:
o EQ5 o EQ58
[ TS105 ] Animation C1 ENERGY= 422.6 kJ/mol
Energy+ZPE= 417.1 kJ/mol ZPE= 0.0591979
CONNECTIONS:
o EQ5 o EQ60
[ TS106 ] Animation C1 ENERGY= 442.8 kJ/mol
Energy+ZPE= 429.2 kJ/mol ZPE= 0.0561079
CONNECTIONS:
o EQ5 o EQ62
[ TS107 ] Animation C1 ENERGY= 479.1 kJ/mol
Energy+ZPE= 474.1 kJ/mol ZPE= 0.0593782
CONNECTIONS:
o EQ5 o EQ64
[ TS108 ] Animation C1 ENERGY= 602.8 kJ/mol
Energy+ZPE= 597.3 kJ/mol ZPE= 0.0591989
CONNECTIONS:
o EQ5 o EQ64
[ TS109 ] Animation C1 ENERGY= 496.3 kJ/mol
Energy+ZPE= 490.0 kJ/mol ZPE= 0.0588795
CONNECTIONS:
o EQ5 o EQ65
[ TS110 ] Animation C1 ENERGY= 618.5 kJ/mol
Energy+ZPE= 606.0 kJ/mol ZPE= 0.0565278
CONNECTIONS:
o EQ5 o EQ78
[ TS111 ] Animation C1 ENERGY= 625.3 kJ/mol
Energy+ZPE= 608.9 kJ/mol ZPE= 0.0550352
CONNECTIONS:
o EQ5 o EQ79
[ TS112 ] Animation C1 ENERGY= 423.6 kJ/mol
Energy+ZPE= 415.1 kJ/mol ZPE= 0.0580659
CONNECTIONS:
o EQ5 o DDC21
[ TS113 ] Animation C1 ENERGY= 479.1 kJ/mol
Energy+ZPE= 470.5 kJ/mol ZPE= 0.0580300
CONNECTIONS:
o EQ5 o DDC22
[ TS114 ] Animation C1 ENERGY= 672.8 kJ/mol
Energy+ZPE= 639.5 kJ/mol ZPE= 0.0486034
CONNECTIONS:
o EQ5 o DDC23
[ TS115 ] Animation Cs ENERGY= 425.6 kJ/mol
Energy+ZPE= 413.5 kJ/mol ZPE= 0.0566724
CONNECTIONS:
o EQ6 o EQ6
[ TS116 ] Animation Cs ENERGY= 476.8 kJ/mol
Energy+ZPE= 454.1 kJ/mol ZPE= 0.0526464
CONNECTIONS:
o EQ6 o EQ9
[ TS117 ] Animation C1 ENERGY= 588.9 kJ/mol
Energy+ZPE= 573.2 kJ/mol ZPE= 0.0553102
CONNECTIONS:
o EQ6 o EQ11
[ TS118 ] Animation C1 ENERGY= 442.9 kJ/mol
Energy+ZPE= 435.4 kJ/mol ZPE= 0.0584440
CONNECTIONS:
o EQ6 o EQ22
[ TS119 ] Animation C1 ENERGY= 553.6 kJ/mol
Energy+ZPE= 534.2 kJ/mol ZPE= 0.0539085
CONNECTIONS:
o EQ6 o EQ23
[ TS120 ] Animation C1 ENERGY= 457.5 kJ/mol
Energy+ZPE= 446.6 kJ/mol ZPE= 0.0571523
CONNECTIONS:
o EQ6 o EQ49
[ TS121 ] Animation C1 ENERGY= 441.4 kJ/mol
Energy+ZPE= 424.6 kJ/mol ZPE= 0.0549160
CONNECTIONS:
o EQ6 o EQ55
[ TS122 ] Animation C1 ENERGY= 456.1 kJ/mol
Energy+ZPE= 444.8 kJ/mol ZPE= 0.0570076
CONNECTIONS:
o EQ6 o EQ58
[ TS123 ] Animation C1 ENERGY= 485.7 kJ/mol
Energy+ZPE= 480.8 kJ/mol ZPE= 0.0594349
CONNECTIONS:
o EQ6 o EQ59
[ TS124 ] Animation C1 ENERGY= 497.7 kJ/mol
Energy+ZPE= 492.8 kJ/mol ZPE= 0.0594286
CONNECTIONS:
o EQ6 o EQ59
[ TS125 ] Animation C1 ENERGY= 459.8 kJ/mol
Energy+ZPE= 448.7 kJ/mol ZPE= 0.0570611
CONNECTIONS:
o EQ6 o EQ60
[ TS126 ] Animation C1 ENERGY= 460.1 kJ/mol
Energy+ZPE= 439.7 kJ/mol ZPE= 0.0535397
CONNECTIONS:
o EQ6 o EQ63
[ TS127 ] Animation Cs ENERGY= 391.3 kJ/mol
Energy+ZPE= 374.4 kJ/mol ZPE= 0.0548773
CONNECTIONS:
o EQ6 o DDC24
[ TS128 ] Animation C1 ENERGY= 540.4 kJ/mol
Energy+ZPE= 513.3 kJ/mol ZPE= 0.0509788
CONNECTIONS:
o EQ6 o DDC25
[ TS129 ] Animation Cs ENERGY= 359.4 kJ/mol
Energy+ZPE= 354.3 kJ/mol ZPE= 0.0593365
CONNECTIONS:
o EQ7 o EQ7
[ TS130 ] Animation C1 ENERGY= 459.4 kJ/mol
Energy+ZPE= 450.7 kJ/mol ZPE= 0.0579764
CONNECTIONS:
o EQ7 o EQ7
[ TS131 ] Animation C1 ENERGY= 468.8 kJ/mol
Energy+ZPE= 449.9 kJ/mol ZPE= 0.0540857
CONNECTIONS:
o EQ7 o EQ7
[ TS132 ] Animation C1 ENERGY= 473.6 kJ/mol
Energy+ZPE= 454.5 kJ/mol ZPE= 0.0540185
CONNECTIONS:
o EQ7 o EQ7
[ TS133 ] Animation C1 ENERGY= 476.6 kJ/mol
Energy+ZPE= 457.1 kJ/mol ZPE= 0.0538556
CONNECTIONS:
o EQ7 o EQ7
[ TS134 ] Animation C1 ENERGY= 537.7 kJ/mol
Energy+ZPE= 523.8 kJ/mol ZPE= 0.0560086
CONNECTIONS:
o EQ7 o EQ8
[ TS135 ] Animation C1 ENERGY= 441.7 kJ/mol
Energy+ZPE= 434.7 kJ/mol ZPE= 0.0586462
CONNECTIONS:
o EQ7 o EQ9
[ TS136 ] Animation C1 ENERGY= 500.2 kJ/mol
Energy+ZPE= 485.7 kJ/mol ZPE= 0.0557749
CONNECTIONS:
o EQ7 o EQ10
[ TS137 ] Animation C1 ENERGY= 533.1 kJ/mol
Energy+ZPE= 523.2 kJ/mol ZPE= 0.0575098
CONNECTIONS:
o EQ7 o EQ13
[ TS138 ] Animation C1 ENERGY= 474.1 kJ/mol
Energy+ZPE= 461.1 kJ/mol ZPE= 0.0563594
CONNECTIONS:
o EQ7 o EQ15
[ TS139 ] Animation C1 ENERGY= 370.1 kJ/mol
Energy+ZPE= 356.6 kJ/mol ZPE= 0.0561431
CONNECTIONS:
o EQ7 o EQ16
[ TS140 ] Animation C1 ENERGY= 472.6 kJ/mol
Energy+ZPE= 455.1 kJ/mol ZPE= 0.0546341
CONNECTIONS:
o EQ7 o EQ16
[ TS141 ] Animation C1 ENERGY= 485.3 kJ/mol
Energy+ZPE= 466.5 kJ/mol ZPE= 0.0541551
CONNECTIONS:
o EQ7 o EQ18
[ TS142 ] Animation C1 ENERGY= 434.7 kJ/mol
Energy+ZPE= 417.6 kJ/mol ZPE= 0.0547995
CONNECTIONS:
o EQ7 o EQ30
[ TS143 ] Animation C1 ENERGY= 708.8 kJ/mol
Energy+ZPE= 691.6 kJ/mol ZPE= 0.0547415
CONNECTIONS:
o EQ7 o EQ39
[ TS144 ] Animation C1 ENERGY= 438.5 kJ/mol
Energy+ZPE= 421.1 kJ/mol ZPE= 0.0546650
CONNECTIONS:
o EQ7 o EQ40
[ TS145 ] Animation C1 ENERGY= 439.1 kJ/mol
Energy+ZPE= 422.3 kJ/mol ZPE= 0.0548948
CONNECTIONS:
o EQ7 o EQ40
[ TS146 ] Animation C1 ENERGY= 426.0 kJ/mol
Energy+ZPE= 416.5 kJ/mol ZPE= 0.0576793
CONNECTIONS:
o EQ7 o EQ55
[ TS147 ] Animation C1 ENERGY= 694.5 kJ/mol
Energy+ZPE= 682.4 kJ/mol ZPE= 0.0567030
CONNECTIONS:
o EQ7 o EQ55
[ TS148 ] Animation C1 ENERGY= 443.3 kJ/mol
Energy+ZPE= 432.5 kJ/mol ZPE= 0.0571850
CONNECTIONS:
o EQ7 o EQ61
[ TS149 ] Animation C1 ENERGY= 566.5 kJ/mol
Energy+ZPE= 543.4 kJ/mol ZPE= 0.0524894
CONNECTIONS:
o EQ7 o EQ66
[ TS150 ] Animation C1 ENERGY= 525.4 kJ/mol
Energy+ZPE= 497.1 kJ/mol ZPE= 0.0505252
CONNECTIONS:
o EQ7 o DDC26
[ TS151 ] Animation Cs ENERGY= 526.4 kJ/mol
Energy+ZPE= 496.6 kJ/mol ZPE= 0.0499637
CONNECTIONS:
o EQ7 o DDC27
[ TS152 ] Animation C1 ENERGY= 557.1 kJ/mol
Energy+ZPE= 537.0 kJ/mol ZPE= 0.0536278
CONNECTIONS:
o EQ7 o DDC28
[ TS153 ] Animation C1 ENERGY= 610.9 kJ/mol
Energy+ZPE= 591.0 kJ/mol ZPE= 0.0537299
CONNECTIONS:
o EQ7 o DDC29
[ TS154 ] Animation C1 ENERGY= 613.0 kJ/mol
Energy+ZPE= 602.4 kJ/mol ZPE= 0.0572453
CONNECTIONS:
o EQ7 o DDC30
[ TS155 ] Animation C1 ENERGY= 645.6 kJ/mol
Energy+ZPE= 618.8 kJ/mol ZPE= 0.0510983
CONNECTIONS:
o EQ7 o DDC31
[ TS156 ] Animation C1 ENERGY= 150.4 kJ/mol
Energy+ZPE= 148.3 kJ/mol ZPE= 0.0605004
CONNECTIONS:
o EQ8 o EQ8
[ TS157 ] Animation C1 ENERGY= 582.5 kJ/mol
Energy+ZPE= 568.3 kJ/mol ZPE= 0.0558806
CONNECTIONS:
o EQ8 o EQ8
[ TS158 ] Animation C1 ENERGY= 450.6 kJ/mol
Energy+ZPE= 436.4 kJ/mol ZPE= 0.0558734
CONNECTIONS:
o EQ8 o EQ16
[ TS159 ] Animation C1 ENERGY= 455.3 kJ/mol
Energy+ZPE= 442.9 kJ/mol ZPE= 0.0565576
CONNECTIONS:
o EQ8 o EQ16
[ TS160 ] Animation C1 ENERGY= 553.3 kJ/mol
Energy+ZPE= 531.8 kJ/mol ZPE= 0.0530900
CONNECTIONS:
o EQ8 o EQ17
[ TS161 ] Animation C1 ENERGY= 466.3 kJ/mol
Energy+ZPE= 452.4 kJ/mol ZPE= 0.0559963
CONNECTIONS:
o EQ8 o EQ18
[ TS162 ] Animation C1 ENERGY= 466.9 kJ/mol
Energy+ZPE= 450.8 kJ/mol ZPE= 0.0551807
CONNECTIONS:
o EQ8 o EQ18
[ TS163 ] Animation C1 ENERGY= 398.0 kJ/mol
Energy+ZPE= 389.6 kJ/mol ZPE= 0.0580985
CONNECTIONS:
o EQ8 o EQ38
[ TS164 ] Animation C1 ENERGY= 440.9 kJ/mol
Energy+ZPE= 431.0 kJ/mol ZPE= 0.0575074
CONNECTIONS:
o EQ8 o EQ50
[ TS165 ] Animation C1 ENERGY= 492.0 kJ/mol
Energy+ZPE= 467.7 kJ/mol ZPE= 0.0520586
CONNECTIONS:
o EQ8 o DDC32
[ TS166 ] Animation C1 ENERGY= 557.4 kJ/mol
Energy+ZPE= 527.4 kJ/mol ZPE= 0.0498847
CONNECTIONS:
o EQ8 o DDC33
[ TS167 ] Animation C1 ENERGY= 557.7 kJ/mol
Energy+ZPE= 528.0 kJ/mol ZPE= 0.0499904
CONNECTIONS:
o EQ8 o DDC34
[ TS168 ] Animation C1 ENERGY= 561.3 kJ/mol
Energy+ZPE= 541.1 kJ/mol ZPE= 0.0535840
CONNECTIONS:
o EQ8 o DDC35
[ TS169 ] Animation C1 ENERGY= 836.6 kJ/mol
Energy+ZPE= 810.9 kJ/mol ZPE= 0.0515041
CONNECTIONS:
o EQ8 o DDC36
[ TS170 ] Animation Cs ENERGY= 163.7 kJ/mol
Energy+ZPE= 161.0 kJ/mol ZPE= 0.0602669
CONNECTIONS:
o EQ9 o EQ9
[ TS171 ] Animation C2v ENERGY= 572.4 kJ/mol
Energy+ZPE= 551.5 kJ/mol ZPE= 0.0533426
CONNECTIONS:
o EQ9 o EQ9
[ TS172 ] Animation C1 ENERGY= 170.7 kJ/mol
Energy+ZPE= 168.1 kJ/mol ZPE= 0.0603025
CONNECTIONS:
o EQ9 o EQ10
[ TS173 ] Animation C1 ENERGY= 660.9 kJ/mol
Energy+ZPE= 644.5 kJ/mol ZPE= 0.0550375
CONNECTIONS:
o EQ9 o EQ11
[ TS174 ] Animation C1 ENERGY= 534.6 kJ/mol
Energy+ZPE= 518.1 kJ/mol ZPE= 0.0550156
CONNECTIONS:
o EQ9 o EQ12
[ TS175 ] Animation C1 ENERGY= 527.6 kJ/mol
Energy+ZPE= 513.0 kJ/mol ZPE= 0.0557442
CONNECTIONS:
o EQ9 o EQ13
[ TS176 ] Animation C1 ENERGY= 535.2 kJ/mol
Energy+ZPE= 517.9 kJ/mol ZPE= 0.0546954
CONNECTIONS:
o EQ9 o EQ13
[ TS177 ] Animation C1 ENERGY= 449.5 kJ/mol
Energy+ZPE= 435.1 kJ/mol ZPE= 0.0558236
CONNECTIONS:
o EQ9 o EQ31
[ TS178 ] Animation C1 ENERGY= 475.1 kJ/mol
Energy+ZPE= 459.2 kJ/mol ZPE= 0.0552234
CONNECTIONS:
o EQ9 o EQ32
[ TS179 ] Animation C1 ENERGY= 391.0 kJ/mol
Energy+ZPE= 384.6 kJ/mol ZPE= 0.0588656
CONNECTIONS:
o EQ9 o EQ35
[ TS180 ] Animation C1 ENERGY= 358.8 kJ/mol
Energy+ZPE= 347.3 kJ/mol ZPE= 0.0569248
CONNECTIONS:
o EQ9 o EQ39
[ TS181 ] Animation C1 ENERGY= 409.1 kJ/mol
Energy+ZPE= 400.8 kJ/mol ZPE= 0.0581435
CONNECTIONS:
o EQ9 o EQ39
[ TS182 ] Animation C1 ENERGY= 351.6 kJ/mol
Energy+ZPE= 337.6 kJ/mol ZPE= 0.0559677
CONNECTIONS:
o EQ9 o EQ41
[ TS183 ] Animation C1 ENERGY= 571.7 kJ/mol
Energy+ZPE= 556.4 kJ/mol ZPE= 0.0554536
CONNECTIONS:
o EQ9 o EQ56
[ TS184 ] Animation C1 ENERGY= 754.9 kJ/mol
Energy+ZPE= 738.0 kJ/mol ZPE= 0.0548467
CONNECTIONS:
o EQ9 o EQ62
[ TS185 ] Animation C1 ENERGY= 477.7 kJ/mol
Energy+ZPE= 454.1 kJ/mol ZPE= 0.0522970
CONNECTIONS:
o EQ9 o EQ66
[ TS186 ] Animation C1 ENERGY= 659.7 kJ/mol
Energy+ZPE= 629.9 kJ/mol ZPE= 0.0499567
CONNECTIONS:
o EQ9 o EQ66
[ TS187 ] Animation C1 ENERGY= 489.4 kJ/mol
Energy+ZPE= 470.5 kJ/mol ZPE= 0.0540995
CONNECTIONS:
o EQ9 o DDC37
[ TS188 ] Animation C1 ENERGY= 525.8 kJ/mol
Energy+ZPE= 496.0 kJ/mol ZPE= 0.0499491
CONNECTIONS:
o EQ9 o DDC38
[ TS189 ] Animation C1 ENERGY= 531.8 kJ/mol
Energy+ZPE= 512.0 kJ/mol ZPE= 0.0537620
CONNECTIONS:
o EQ9 o DDC39
[ TS190 ] Animation C1 ENERGY= 538.0 kJ/mol
Energy+ZPE= 520.7 kJ/mol ZPE= 0.0547145
CONNECTIONS:
o EQ9 o DDC40
[ TS191 ] Animation C1 ENERGY= 565.9 kJ/mol
Energy+ZPE= 538.5 kJ/mol ZPE= 0.0508477
CONNECTIONS:
o EQ9 o DDC41
[ TS192 ] Animation C1 ENERGY= 698.5 kJ/mol
Energy+ZPE= 672.0 kJ/mol ZPE= 0.0512089
CONNECTIONS:
o EQ9 o DDC42
[ TS193 ] Animation C1 ENERGY= 488.0 kJ/mol
Energy+ZPE= 471.5 kJ/mol ZPE= 0.0550183
CONNECTIONS:
o EQ10 o EQ34
[ TS194 ] Animation C1 ENERGY= 451.7 kJ/mol
Energy+ZPE= 435.8 kJ/mol ZPE= 0.0552390
CONNECTIONS:
o EQ10 o EQ40
[ TS195 ] Animation C1 ENERGY= 465.8 kJ/mol
Energy+ZPE= 450.6 kJ/mol ZPE= 0.0555239
CONNECTIONS:
o EQ10 o EQ42
[ TS196 ] Animation C1 ENERGY= 361.5 kJ/mol
Energy+ZPE= 346.6 kJ/mol ZPE= 0.0556130
CONNECTIONS:
o EQ10 o EQ45
[ TS197 ] Animation Cs ENERGY= 793.5 kJ/mol
Energy+ZPE= 767.7 kJ/mol ZPE= 0.0514719
CONNECTIONS:
o EQ10 o EQ53
[ TS198 ] Animation C1 ENERGY= 482.9 kJ/mol
Energy+ZPE= 458.6 kJ/mol ZPE= 0.0520511
CONNECTIONS:
o EQ10 o EQ67
[ TS199 ] Animation C1 ENERGY= 525.3 kJ/mol
Energy+ZPE= 495.9 kJ/mol ZPE= 0.0500901
CONNECTIONS:
o EQ10 o DDC43
[ TS200 ] Animation C1 ENERGY= 822.4 kJ/mol
Energy+ZPE= 794.5 kJ/mol ZPE= 0.0506587
CONNECTIONS:
o EQ10 o DDC44
[ TS201 ] Animation Cs ENERGY= 196.8 kJ/mol
Energy+ZPE= 194.3 kJ/mol ZPE= 0.0603515
CONNECTIONS:
o EQ11 o EQ11
[ TS202 ] Animation C1 ENERGY= 640.7 kJ/mol
Energy+ZPE= 620.4 kJ/mol ZPE= 0.0535787
CONNECTIONS:
o EQ11 o EQ11
[ TS203 ] Animation C1 ENERGY= 645.9 kJ/mol
Energy+ZPE= 629.6 kJ/mol ZPE= 0.0550876
CONNECTIONS:
o EQ11 o EQ17
[ TS204 ] Animation C1 ENERGY= 709.9 kJ/mol
Energy+ZPE= 695.1 kJ/mol ZPE= 0.0556534
CONNECTIONS:
o EQ11 o EQ44
[ TS205 ] Animation C1 ENERGY= 473.9 kJ/mol
Energy+ZPE= 459.7 kJ/mol ZPE= 0.0559010
CONNECTIONS:
o EQ11 o EQ49
[ TS206 ] Animation C1 ENERGY= 396.3 kJ/mol
Energy+ZPE= 384.4 kJ/mol ZPE= 0.0567630
CONNECTIONS:
o EQ11 o EQ53
[ TS207 ] Animation C1 ENERGY= 398.8 kJ/mol
Energy+ZPE= 389.1 kJ/mol ZPE= 0.0576151
CONNECTIONS:
o EQ11 o EQ54
[ TS208 ] Animation C1 ENERGY= 505.5 kJ/mol
Energy+ZPE= 494.8 kJ/mol ZPE= 0.0572244
CONNECTIONS:
o EQ11 o EQ54
[ TS209 ] Animation C1 ENERGY= 692.1 kJ/mol
Energy+ZPE= 674.9 kJ/mol ZPE= 0.0547271
CONNECTIONS:
o EQ11 o EQ81
[ TS210 ] Animation C1 ENERGY= 558.6 kJ/mol
Energy+ZPE= 541.4 kJ/mol ZPE= 0.0547343
CONNECTIONS:
o EQ11 o DDC45
[ TS211 ] Animation C1 ENERGY= 609.4 kJ/mol
Energy+ZPE= 579.2 kJ/mol ZPE= 0.0498028
CONNECTIONS:
o EQ11 o DDC46
[ TS212 ] Animation C1 ENERGY= 613.8 kJ/mol
Energy+ZPE= 583.5 kJ/mol ZPE= 0.0497722
CONNECTIONS:
o EQ11 o DDC47
[ TS213 ] Animation C1 ENERGY= 686.6 kJ/mol
Energy+ZPE= 661.7 kJ/mol ZPE= 0.0518064
CONNECTIONS:
o EQ11 o DDC48
[ TS214 ] Animation C1 ENERGY= 815.0 kJ/mol
Energy+ZPE= 789.3 kJ/mol ZPE= 0.0515176
CONNECTIONS:
o EQ11 o DDC49
[ TS215 ] Animation C1 ENERGY= 1041.8 kJ/mol
Energy+ZPE= 1011.6 kJ/mol ZPE= 0.0497836
CONNECTIONS:
o EQ11 o DDC50
[ TS216 ] Animation Cs ENERGY= 348.3 kJ/mol
Energy+ZPE= 341.8 kJ/mol ZPE= 0.0588314
CONNECTIONS:
o EQ12 o EQ12
[ TS217 ] Animation Cs ENERGY= 356.5 kJ/mol
Energy+ZPE= 348.9 kJ/mol ZPE= 0.0584155
CONNECTIONS:
o EQ12 o EQ12
[ TS218 ] Animation C1 ENERGY= 228.0 kJ/mol
Energy+ZPE= 225.6 kJ/mol ZPE= 0.0603696
CONNECTIONS:
o EQ12 o EQ13
[ TS219 ] Animation C1 ENERGY= 459.0 kJ/mol
Energy+ZPE= 442.7 kJ/mol ZPE= 0.0550735
CONNECTIONS:
o EQ12 o EQ13
[ TS220 ] Animation C1 ENERGY= 575.8 kJ/mol
Energy+ZPE= 556.6 kJ/mol ZPE= 0.0539719
CONNECTIONS:
o EQ12 o EQ15
[ TS221 ] Animation C1 ENERGY= 336.2 kJ/mol
Energy+ZPE= 330.9 kJ/mol ZPE= 0.0592967
CONNECTIONS:
o EQ12 o EQ18
[ TS222 ] Animation C1 ENERGY= 383.6 kJ/mol
Energy+ZPE= 376.6 kJ/mol ZPE= 0.0586403
CONNECTIONS:
o EQ12 o EQ19
[ TS223 ] Animation C1 ENERGY= 615.1 kJ/mol
Energy+ZPE= 599.0 kJ/mol ZPE= 0.0551663
CONNECTIONS:
o EQ12 o EQ19
[ TS224 ] Animation Cs ENERGY= 396.0 kJ/mol
Energy+ZPE= 385.0 kJ/mol ZPE= 0.0571083
CONNECTIONS:
o EQ12 o EQ38
[ TS225 ] Animation C1 ENERGY= 409.8 kJ/mol
Energy+ZPE= 398.9 kJ/mol ZPE= 0.0571317
CONNECTIONS:
o EQ12 o EQ55
[ TS226 ] Animation C1 ENERGY= 419.8 kJ/mol
Energy+ZPE= 408.3 kJ/mol ZPE= 0.0569311
CONNECTIONS:
o EQ12 o EQ61
[ TS227 ] Animation C1 ENERGY= 604.5 kJ/mol
Energy+ZPE= 591.5 kJ/mol ZPE= 0.0563310
CONNECTIONS:
o EQ12 o EQ71
[ TS228 ] Animation C1 ENERGY= 605.6 kJ/mol
Energy+ZPE= 593.2 kJ/mol ZPE= 0.0565755
CONNECTIONS:
o EQ12 o EQ71
[ TS229 ] Animation C1 ENERGY= 609.6 kJ/mol
Energy+ZPE= 595.3 kJ/mol ZPE= 0.0558317
CONNECTIONS:
o EQ12 o EQ73
[ TS230 ] Animation C1 ENERGY= 572.5 kJ/mol
Energy+ZPE= 547.5 kJ/mol ZPE= 0.0517721
CONNECTIONS:
o EQ12 o DDC51
[ TS231 ] Animation Cs ENERGY= 362.3 kJ/mol
Energy+ZPE= 354.3 kJ/mol ZPE= 0.0582513
CONNECTIONS:
o EQ13 o EQ13
[ TS232 ] Animation Cs ENERGY= 377.0 kJ/mol
Energy+ZPE= 369.4 kJ/mol ZPE= 0.0584191
CONNECTIONS:
o EQ13 o EQ13
[ TS233 ] Animation Cs ENERGY= 612.7 kJ/mol
Energy+ZPE= 588.3 kJ/mol ZPE= 0.0520164
CONNECTIONS:
o EQ13 o EQ13
[ TS234 ] Animation C1 ENERGY= 566.3 kJ/mol
Energy+ZPE= 545.3 kJ/mol ZPE= 0.0532841
CONNECTIONS:
o EQ13 o EQ15
[ TS235 ] Animation C1 ENERGY= 711.0 kJ/mol
Energy+ZPE= 691.2 kJ/mol ZPE= 0.0537692
CONNECTIONS:
o EQ13 o EQ15
[ TS236 ] Animation C1 ENERGY= 322.0 kJ/mol
Energy+ZPE= 318.5 kJ/mol ZPE= 0.0599697
CONNECTIONS:
o EQ13 o EQ16
[ TS237 ] Animation C1 ENERGY= 602.6 kJ/mol
Energy+ZPE= 590.5 kJ/mol ZPE= 0.0566771
CONNECTIONS:
o EQ13 o EQ19
[ TS238 ] Animation C1 ENERGY= 388.1 kJ/mol
Energy+ZPE= 380.2 kJ/mol ZPE= 0.0582827
CONNECTIONS:
o EQ13 o EQ21
[ TS239 ] Animation Cs ENERGY= 406.3 kJ/mol
Energy+ZPE= 394.2 kJ/mol ZPE= 0.0566860
CONNECTIONS:
o EQ13 o EQ46
[ TS240 ] Animation C1 ENERGY= 411.8 kJ/mol
Energy+ZPE= 400.7 kJ/mol ZPE= 0.0570552
CONNECTIONS:
o EQ13 o EQ55
[ TS241 ] Animation C1 ENERGY= 426.8 kJ/mol
Energy+ZPE= 414.5 kJ/mol ZPE= 0.0565973
CONNECTIONS:
o EQ13 o EQ61
[ TS242 ] Animation C1 ENERGY= 615.5 kJ/mol
Energy+ZPE= 600.5 kJ/mol ZPE= 0.0555913
CONNECTIONS:
o EQ13 o EQ72
[ TS243 ] Animation C1 ENERGY= 622.9 kJ/mol
Energy+ZPE= 606.5 kJ/mol ZPE= 0.0550430
CONNECTIONS:
o EQ13 o EQ76
[ TS244 ] Animation C1 ENERGY= 497.5 kJ/mol
Energy+ZPE= 471.7 kJ/mol ZPE= 0.0514765
CONNECTIONS:
o EQ13 o DDC52
[ TS245 ] Animation C1 ENERGY= 566.8 kJ/mol
Energy+ZPE= 541.8 kJ/mol ZPE= 0.0517602
CONNECTIONS:
o EQ13 o DDC53
[ TS246 ] Animation Cs ENERGY= 441.5 kJ/mol
Energy+ZPE= 432.1 kJ/mol ZPE= 0.0576982
CONNECTIONS:
o EQ14 o EQ14
[ TS247 ] Animation C1 ENERGY= 651.8 kJ/mol
Energy+ZPE= 637.6 kJ/mol ZPE= 0.0559025
CONNECTIONS:
o EQ14 o EQ14
[ TS248 ] Animation C1 ENERGY= 213.5 kJ/mol
Energy+ZPE= 210.4 kJ/mol ZPE= 0.0601185
CONNECTIONS:
o EQ14 o EQ15
[ TS249 ] Animation C1 ENERGY= 436.2 kJ/mol
Energy+ZPE= 419.7 kJ/mol ZPE= 0.0550008
CONNECTIONS:
o EQ14 o EQ18
[ TS250 ] Animation C1 ENERGY= 329.9 kJ/mol
Energy+ZPE= 324.9 kJ/mol ZPE= 0.0593929
CONNECTIONS:
o EQ14 o EQ28
[ TS251 ] Animation C1 ENERGY= 354.5 kJ/mol
Energy+ZPE= 349.5 kJ/mol ZPE= 0.0594046
CONNECTIONS:
o EQ14 o EQ31
[ TS252 ] Animation C1 ENERGY= 330.3 kJ/mol
Energy+ZPE= 325.1 kJ/mol ZPE= 0.0593210
CONNECTIONS:
o EQ14 o EQ32
[ TS253 ] Animation C1 ENERGY= 388.7 kJ/mol
Energy+ZPE= 377.7 kJ/mol ZPE= 0.0571186
CONNECTIONS:
o EQ14 o EQ35
[ TS254 ] Animation C1 ENERGY= 463.5 kJ/mol
Energy+ZPE= 449.0 kJ/mol ZPE= 0.0557864
CONNECTIONS:
o EQ14 o DDC54
[ TS255 ] Animation Cs ENERGY= 673.8 kJ/mol
Energy+ZPE= 646.5 kJ/mol ZPE= 0.0509068
CONNECTIONS:
o EQ14 o DDC55
[ TS256 ] Animation Cs ENERGY= 211.7 kJ/mol
Energy+ZPE= 208.7 kJ/mol ZPE= 0.0601513
CONNECTIONS:
o EQ15 o EQ15
[ TS257 ] Animation Cs ENERGY= 442.7 kJ/mol
Energy+ZPE= 432.4 kJ/mol ZPE= 0.0573613
CONNECTIONS:
o EQ15 o EQ15
[ TS258 ] Animation C1 ENERGY= 671.1 kJ/mol
Energy+ZPE= 656.9 kJ/mol ZPE= 0.0558807
CONNECTIONS:
o EQ15 o EQ15
[ TS259 ] Animation C1 ENERGY= 788.9 kJ/mol
Energy+ZPE= 772.9 kJ/mol ZPE= 0.0551854
CONNECTIONS:
o EQ15 o EQ15
[ TS260 ] Animation C1 ENERGY= 424.9 kJ/mol
Energy+ZPE= 409.7 kJ/mol ZPE= 0.0555145
CONNECTIONS:
o EQ15 o EQ16
[ TS261 ] Animation C1 ENERGY= 335.0 kJ/mol
Energy+ZPE= 329.8 kJ/mol ZPE= 0.0593110
CONNECTIONS:
o EQ15 o EQ30
[ TS262 ] Animation C1 ENERGY= 340.3 kJ/mol
Energy+ZPE= 334.3 kJ/mol ZPE= 0.0590152
CONNECTIONS:
o EQ15 o EQ34
[ TS263 ] Animation C1 ENERGY= 394.4 kJ/mol
Energy+ZPE= 383.1 kJ/mol ZPE= 0.0570048
CONNECTIONS:
o EQ15 o EQ35
[ TS264 ] Animation C1 ENERGY= 390.9 kJ/mol
Energy+ZPE= 383.9 kJ/mol ZPE= 0.0586208
CONNECTIONS:
o EQ15 o EQ40
[ TS265 ] Animation C1 ENERGY= 372.4 kJ/mol
Energy+ZPE= 366.7 kJ/mol ZPE= 0.0591073
CONNECTIONS:
o EQ15 o EQ42
[ TS266 ] Animation C1 ENERGY= 739.5 kJ/mol
Energy+ZPE= 720.4 kJ/mol ZPE= 0.0540371
CONNECTIONS:
o EQ15 o EQ55
[ TS267 ] Animation C1 ENERGY= 729.4 kJ/mol
Energy+ZPE= 707.7 kJ/mol ZPE= 0.0530249
CONNECTIONS:
o EQ15 o EQ58
[ TS268 ] Animation C1 ENERGY= 729.9 kJ/mol
Energy+ZPE= 708.7 kJ/mol ZPE= 0.0532151
CONNECTIONS:
o EQ15 o EQ60
[ TS269 ] Animation C1 ENERGY= 710.0 kJ/mol
Energy+ZPE= 697.2 kJ/mol ZPE= 0.0564299
CONNECTIONS:
o EQ15 o EQ62
[ TS270 ] Animation C1 ENERGY= 480.4 kJ/mol
Energy+ZPE= 463.5 kJ/mol ZPE= 0.0548452
CONNECTIONS:
o EQ15 o DDC56
[ TS271 ] Animation C1 ENERGY= 341.7 kJ/mol
Energy+ZPE= 332.9 kJ/mol ZPE= 0.0579264
CONNECTIONS:
o EQ16 o EQ18
[ TS272 ] Animation C1 ENERGY= 266.5 kJ/mol
Energy+ZPE= 263.0 kJ/mol ZPE= 0.0599806
CONNECTIONS:
o EQ16 o EQ19
[ TS273 ] Animation C1 ENERGY= 585.9 kJ/mol
Energy+ZPE= 570.1 kJ/mol ZPE= 0.0552933
CONNECTIONS:
o EQ16 o EQ71
[ TS274 ] Animation C1 ENERGY= 594.9 kJ/mol
Energy+ZPE= 578.8 kJ/mol ZPE= 0.0551620
CONNECTIONS:
o EQ16 o EQ73
[ TS275 ] Animation C1 ENERGY= 601.2 kJ/mol
Energy+ZPE= 587.2 kJ/mol ZPE= 0.0559725
CONNECTIONS:
o EQ16 o EQ73
[ TS276 ] Animation C1 ENERGY= 554.4 kJ/mol
Energy+ZPE= 531.8 kJ/mol ZPE= 0.0526818
CONNECTIONS:
o EQ16 o DDC57
[ TS277 ] Animation C1 ENERGY= 247.0 kJ/mol
Energy+ZPE= 244.6 kJ/mol ZPE= 0.0603817
CONNECTIONS:
o EQ17 o EQ17
[ TS278 ] Animation C1 ENERGY= 461.1 kJ/mol
Energy+ZPE= 445.3 kJ/mol ZPE= 0.0552813
CONNECTIONS:
o EQ17 o EQ23
[ TS279 ] Animation C1 ENERGY= 487.8 kJ/mol
Energy+ZPE= 476.7 kJ/mol ZPE= 0.0570736
CONNECTIONS:
o EQ17 o EQ24
[ TS280 ] Animation C1 ENERGY= 716.8 kJ/mol
Energy+ZPE= 704.6 kJ/mol ZPE= 0.0566653
CONNECTIONS:
o EQ17 o EQ54
[ TS281 ] Animation C1 ENERGY= 547.4 kJ/mol
Energy+ZPE= 532.0 kJ/mol ZPE= 0.0554176
CONNECTIONS:
o EQ17 o EQ69
[ TS282 ] Animation C1 ENERGY= 362.4 kJ/mol
Energy+ZPE= 342.2 kJ/mol ZPE= 0.0536110
CONNECTIONS:
o EQ17 o DDC58
[ TS283 ] Animation C1 ENERGY= 403.1 kJ/mol
Energy+ZPE= 391.4 kJ/mol ZPE= 0.0568477
CONNECTIONS:
o EQ17 o DDC59
[ TS284 ] Animation C1 ENERGY= 676.3 kJ/mol
Energy+ZPE= 643.6 kJ/mol ZPE= 0.0488384
CONNECTIONS:
o EQ17 o DDC60
[ TS285 ] Animation C1 ENERGY= 731.8 kJ/mol
Energy+ZPE= 707.5 kJ/mol ZPE= 0.0520330
CONNECTIONS:
o EQ17 o DDC61
[ TS286 ] Animation C1 ENERGY= 271.7 kJ/mol
Energy+ZPE= 266.4 kJ/mol ZPE= 0.0592692
CONNECTIONS:
o EQ18 o EQ21
[ TS287 ] Animation C1 ENERGY= 619.1 kJ/mol
Energy+ZPE= 604.6 kJ/mol ZPE= 0.0557922
CONNECTIONS:
o EQ18 o EQ74
[ TS288 ] Animation C1 ENERGY= 609.6 kJ/mol
Energy+ZPE= 590.3 kJ/mol ZPE= 0.0539565
CONNECTIONS:
o EQ18 o EQ76
[ TS289 ] Animation C1 ENERGY= 618.3 kJ/mol
Energy+ZPE= 602.4 kJ/mol ZPE= 0.0552371
CONNECTIONS:
o EQ18 o EQ76
[ TS290 ] Animation Cs ENERGY= 389.1 kJ/mol
Energy+ZPE= 361.9 kJ/mol ZPE= 0.0509500
CONNECTIONS:
o EQ18 o DDC62
[ TS291 ] Animation Cs ENERGY= 253.6 kJ/mol
Energy+ZPE= 252.7 kJ/mol ZPE= 0.0609575
CONNECTIONS:
o EQ19 o EQ19
[ TS292 ] Animation C1 ENERGY= 599.1 kJ/mol
Energy+ZPE= 586.0 kJ/mol ZPE= 0.0562915
CONNECTIONS:
o EQ19 o EQ19
[ TS293 ] Animation C1 ENERGY= 352.3 kJ/mol
Energy+ZPE= 343.9 kJ/mol ZPE= 0.0581115
CONNECTIONS:
o EQ19 o EQ21
[ TS294 ] Animation C1 ENERGY= 688.4 kJ/mol
Energy+ZPE= 666.2 kJ/mol ZPE= 0.0528306
CONNECTIONS:
o EQ19 o EQ21
[ TS295 ] Animation C1 ENERGY= 648.8 kJ/mol
Energy+ZPE= 627.4 kJ/mol ZPE= 0.0531454
CONNECTIONS:
o EQ19 o EQ40
[ TS296 ] Animation C1 ENERGY= 488.1 kJ/mol
Energy+ZPE= 481.7 kJ/mol ZPE= 0.0588623
CONNECTIONS:
o EQ19 o EQ44
[ TS297 ] Animation C1 ENERGY= 685.8 kJ/mol
Energy+ZPE= 669.7 kJ/mol ZPE= 0.0551760
CONNECTIONS:
o EQ19 o EQ62
[ TS298 ] Animation C1 ENERGY= 586.0 kJ/mol
Energy+ZPE= 571.6 kJ/mol ZPE= 0.0558008
CONNECTIONS:
o EQ19 o EQ71
[ TS299 ] Animation C1 ENERGY= 595.0 kJ/mol
Energy+ZPE= 579.9 kJ/mol ZPE= 0.0555428
CONNECTIONS:
o EQ19 o EQ71
[ TS300 ] Animation C1 ENERGY= 596.9 kJ/mol
Energy+ZPE= 582.4 kJ/mol ZPE= 0.0557574
CONNECTIONS:
o EQ19 o EQ71
[ TS301 ] Animation C1 ENERGY= 599.9 kJ/mol
Energy+ZPE= 587.2 kJ/mol ZPE= 0.0564632
CONNECTIONS:
o EQ19 o EQ71
[ TS302 ] Animation C1 ENERGY= 599.5 kJ/mol
Energy+ZPE= 583.9 kJ/mol ZPE= 0.0553595
CONNECTIONS:
o EQ19 o EQ73
[ TS303 ] Animation C1 ENERGY= 603.0 kJ/mol
Energy+ZPE= 587.5 kJ/mol ZPE= 0.0553942
CONNECTIONS:
o EQ19 o EQ73
[ TS304 ] Animation C1 ENERGY= 688.7 kJ/mol
Energy+ZPE= 667.8 kJ/mol ZPE= 0.0533378
CONNECTIONS:
o EQ19 o EQ74
[ TS305 ] Animation C1 ENERGY= 603.0 kJ/mol
Energy+ZPE= 588.1 kJ/mol ZPE= 0.0556076
CONNECTIONS:
o EQ19 o EQ75
[ TS306 ] Animation C1 ENERGY= 667.4 kJ/mol
Energy+ZPE= 640.1 kJ/mol ZPE= 0.0509051
CONNECTIONS:
o EQ19 o DDC63
[ TS307 ] Animation C1 ENERGY= 687.7 kJ/mol
Energy+ZPE= 666.7 kJ/mol ZPE= 0.0532994
CONNECTIONS:
o EQ19 o DDC64
[ TS308 ] Animation Cs ENERGY= 721.3 kJ/mol
Energy+ZPE= 693.7 kJ/mol ZPE= 0.0507904
CONNECTIONS:
o EQ19 o DDC65
[ TS309 ] Animation C1 ENERGY= 798.6 kJ/mol
Energy+ZPE= 766.2 kJ/mol ZPE= 0.0489613
CONNECTIONS:
o EQ20 o EQ23
[ TS310 ] Animation C1 ENERGY= 407.3 kJ/mol
Energy+ZPE= 399.9 kJ/mol ZPE= 0.0584597
CONNECTIONS:
o EQ20 o EQ29
[ TS311 ] Animation C1 ENERGY= 383.9 kJ/mol
Energy+ZPE= 376.6 kJ/mol ZPE= 0.0585325
CONNECTIONS:
o EQ20 o EQ37
[ TS312 ] Animation C1 ENERGY= 523.7 kJ/mol
Energy+ZPE= 508.6 kJ/mol ZPE= 0.0555461
CONNECTIONS:
o EQ20 o EQ60
[ TS313 ] Animation C1 ENERGY= 596.7 kJ/mol
Energy+ZPE= 587.0 kJ/mol ZPE= 0.0575858
CONNECTIONS:
o EQ20 o EQ64
[ TS314 ] Animation Cs ENERGY= 702.3 kJ/mol
Energy+ZPE= 670.1 kJ/mol ZPE= 0.0490476
CONNECTIONS:
o EQ20 o DDC66
[ TS315 ] Animation Cs ENERGY= 272.7 kJ/mol
Energy+ZPE= 269.0 kJ/mol ZPE= 0.0598877
CONNECTIONS:
o EQ21 o EQ21
[ TS316 ] Animation C1 ENERGY= 512.8 kJ/mol
Energy+ZPE= 505.5 kJ/mol ZPE= 0.0585034
CONNECTIONS:
o EQ21 o EQ44
[ TS317 ] Animation C1 ENERGY= 601.4 kJ/mol
Energy+ZPE= 583.2 kJ/mol ZPE= 0.0543728
CONNECTIONS:
o EQ21 o EQ72
[ TS318 ] Animation C1 ENERGY= 602.7 kJ/mol
Energy+ZPE= 585.2 kJ/mol ZPE= 0.0546341
CONNECTIONS:
o EQ21 o EQ72
[ TS319 ] Animation C1 ENERGY= 598.3 kJ/mol
Energy+ZPE= 580.8 kJ/mol ZPE= 0.0546236
CONNECTIONS:
o EQ21 o EQ74
[ TS320 ] Animation C1 ENERGY= 614.2 kJ/mol
Energy+ZPE= 595.6 kJ/mol ZPE= 0.0542209
CONNECTIONS:
o EQ21 o EQ76
[ TS321 ] Animation Cs ENERGY= 439.3 kJ/mol
Energy+ZPE= 407.9 kJ/mol ZPE= 0.0493305
CONNECTIONS:
o EQ21 o DDC67
[ TS322 ] Animation C1 ENERGY= 478.4 kJ/mol
Energy+ZPE= 457.1 kJ/mol ZPE= 0.0531786
CONNECTIONS:
o EQ21 o DDC68
[ TS323 ] Animation C1 ENERGY= 577.4 kJ/mol
Energy+ZPE= 557.7 kJ/mol ZPE= 0.0537955
CONNECTIONS:
o EQ21 o DDC69
[ TS324 ] Animation C1 ENERGY= 456.4 kJ/mol
Energy+ZPE= 449.3 kJ/mol ZPE= 0.0585816
CONNECTIONS:
o EQ22 o EQ49
[ TS325 ] Animation C1 ENERGY= 394.7 kJ/mol
Energy+ZPE= 389.5 kJ/mol ZPE= 0.0593023
CONNECTIONS:
o EQ22 o DDC70
[ TS326 ] Animation Cs ENERGY= 417.8 kJ/mol
Energy+ZPE= 408.8 kJ/mol ZPE= 0.0578726
CONNECTIONS:
o EQ22 o DDC71
[ TS327 ] Animation C1 ENERGY= 688.3 kJ/mol
Energy+ZPE= 660.1 kJ/mol ZPE= 0.0505466
CONNECTIONS:
o EQ22 o DDC72
[ TS328 ] Animation C1 ENERGY= 703.4 kJ/mol
Energy+ZPE= 674.9 kJ/mol ZPE= 0.0504563
CONNECTIONS:
o EQ22 o DDC73
[ TS329 ] Animation C1 ENERGY= 707.6 kJ/mol
Energy+ZPE= 679.8 kJ/mol ZPE= 0.0507094
CONNECTIONS:
o EQ22 o DDC74
[ TS330 ] Animation Cs ENERGY= 743.8 kJ/mol
Energy+ZPE= 723.3 kJ/mol ZPE= 0.0535044
CONNECTIONS:
o EQ22 o DDC75
[ TS331 ] Animation C1 ENERGY= 281.9 kJ/mol
Energy+ZPE= 273.9 kJ/mol ZPE= 0.0582646
CONNECTIONS:
o EQ23 o EQ23
[ TS332 ] Animation Cs ENERGY= 300.1 kJ/mol
Energy+ZPE= 289.5 kJ/mol ZPE= 0.0572471
CONNECTIONS:
o EQ23 o EQ23
[ TS333 ] Animation Cs ENERGY= 376.5 kJ/mol
Energy+ZPE= 365.4 kJ/mol ZPE= 0.0570572
CONNECTIONS:
o EQ23 o EQ23
[ TS334 ] Animation Cs ENERGY= 301.7 kJ/mol
Energy+ZPE= 292.9 kJ/mol ZPE= 0.0579525
CONNECTIONS:
o EQ23 o EQ24
[ TS335 ] Animation C1 ENERGY= 545.5 kJ/mol
Energy+ZPE= 531.9 kJ/mol ZPE= 0.0560998
CONNECTIONS:
o EQ23 o EQ24
[ TS336 ] Animation Cs ENERGY= 460.3 kJ/mol
Energy+ZPE= 444.0 kJ/mol ZPE= 0.0550765
CONNECTIONS:
o EQ23 o EQ38
[ TS337 ] Animation C1 ENERGY= 558.1 kJ/mol
Energy+ZPE= 544.5 kJ/mol ZPE= 0.0561080
CONNECTIONS:
o EQ23 o EQ69
[ TS338 ] Animation C1 ENERGY= 736.8 kJ/mol
Energy+ZPE= 697.4 kJ/mol ZPE= 0.0462806
CONNECTIONS:
o EQ23 o DDC76
[ TS339 ] Animation C1 ENERGY= 288.8 kJ/mol
Energy+ZPE= 280.0 kJ/mol ZPE= 0.0579528
CONNECTIONS:
o EQ24 o EQ24
[ TS340 ] Animation Cs ENERGY= 298.4 kJ/mol
Energy+ZPE= 290.3 kJ/mol ZPE= 0.0582235
CONNECTIONS:
o EQ24 o EQ24
[ TS341 ] Animation C1 ENERGY= 594.1 kJ/mol
Energy+ZPE= 584.6 kJ/mol ZPE= 0.0576631
CONNECTIONS:
o EQ24 o EQ53
[ TS342 ] Animation C1 ENERGY= 554.4 kJ/mol
Energy+ZPE= 538.6 kJ/mol ZPE= 0.0552818
CONNECTIONS:
o EQ24 o EQ70
[ TS343 ] Animation C1 ENERGY= 458.7 kJ/mol
Energy+ZPE= 431.8 kJ/mol ZPE= 0.0510633
CONNECTIONS:
o EQ24 o DDC77
[ TS344 ] Animation C1 ENERGY= 673.2 kJ/mol
Energy+ZPE= 651.3 kJ/mol ZPE= 0.0529437
CONNECTIONS:
o EQ25 o EQ25
[ TS345 ] Animation C1 ENERGY= 314.8 kJ/mol
Energy+ZPE= 309.1 kJ/mol ZPE= 0.0591106
CONNECTIONS:
o EQ25 o EQ26
[ TS346 ] Animation C1 ENERGY= 407.9 kJ/mol
Energy+ZPE= 395.5 kJ/mol ZPE= 0.0565657
CONNECTIONS:
o EQ25 o EQ27
[ TS347 ] Animation Cs ENERGY= 476.0 kJ/mol
Energy+ZPE= 457.5 kJ/mol ZPE= 0.0542336
CONNECTIONS:
o EQ25 o EQ52
[ TS348 ] Animation C1 ENERGY= 616.5 kJ/mol
Energy+ZPE= 597.9 kJ/mol ZPE= 0.0542120
CONNECTIONS:
o EQ25 o EQ77
[ TS349 ] Animation C1 ENERGY= 626.3 kJ/mol
Energy+ZPE= 607.8 kJ/mol ZPE= 0.0542387
CONNECTIONS:
o EQ25 o EQ79
[ TS350 ] Animation C1 ENERGY= 495.6 kJ/mol
Energy+ZPE= 473.2 kJ/mol ZPE= 0.0527612
CONNECTIONS:
o EQ25 o DDC78
[ TS351 ] Animation Cs ENERGY= 766.1 kJ/mol
Energy+ZPE= 730.8 kJ/mol ZPE= 0.0478663
CONNECTIONS:
o EQ25 o DDC79
[ TS352 ] Animation Cs ENERGY= 305.1 kJ/mol
Energy+ZPE= 300.1 kJ/mol ZPE= 0.0593886
CONNECTIONS:
o EQ26 o EQ26
[ TS353 ] Animation C1 ENERGY= 400.3 kJ/mol
Energy+ZPE= 389.6 kJ/mol ZPE= 0.0572056
CONNECTIONS:
o EQ26 o EQ29
[ TS354 ] Animation C1 ENERGY= 413.8 kJ/mol
Energy+ZPE= 406.1 kJ/mol ZPE= 0.0583459
CONNECTIONS:
o EQ26 o EQ33
[ TS355 ] Animation C1 ENERGY= 604.1 kJ/mol
Energy+ZPE= 584.9 kJ/mol ZPE= 0.0539880
CONNECTIONS:
o EQ26 o EQ68
[ TS356 ] Animation C1 ENERGY= 606.0 kJ/mol
Energy+ZPE= 587.0 kJ/mol ZPE= 0.0540638
CONNECTIONS:
o EQ26 o EQ68
[ TS357 ] Animation C1 ENERGY= 620.4 kJ/mol
Energy+ZPE= 601.4 kJ/mol ZPE= 0.0540769
CONNECTIONS:
o EQ26 o EQ78
[ TS358 ] Animation C1 ENERGY= 630.8 kJ/mol
Energy+ZPE= 612.0 kJ/mol ZPE= 0.0541461
CONNECTIONS:
o EQ26 o EQ79
[ TS359 ] Animation Cs ENERGY= 408.1 kJ/mol
Energy+ZPE= 387.7 kJ/mol ZPE= 0.0535324
CONNECTIONS:
o EQ26 o DDC80
[ TS360 ] Animation C1 ENERGY= 323.7 kJ/mol
Energy+ZPE= 317.0 kJ/mol ZPE= 0.0587462
CONNECTIONS:
o EQ27 o EQ29
[ TS361 ] Animation C1 ENERGY= 608.6 kJ/mol
Energy+ZPE= 588.6 kJ/mol ZPE= 0.0536947
CONNECTIONS:
o EQ27 o EQ69
[ TS362 ] Animation C1 ENERGY= 630.0 kJ/mol
Energy+ZPE= 608.9 kJ/mol ZPE= 0.0532766
CONNECTIONS:
o EQ27 o EQ80
[ TS363 ] Animation C1 ENERGY= 643.8 kJ/mol
Energy+ZPE= 622.8 kJ/mol ZPE= 0.0533111
CONNECTIONS:
o EQ27 o EQ82
[ TS364 ] Animation C1 ENERGY= 690.9 kJ/mol
Energy+ZPE= 666.5 kJ/mol ZPE= 0.0519912
CONNECTIONS:
o EQ27 o EQ82
[ TS365 ] Animation C1 ENERGY= 489.7 kJ/mol
Energy+ZPE= 468.4 kJ/mol ZPE= 0.0532014
CONNECTIONS:
o EQ27 o DDC81
[ TS366 ] Animation Cs ENERGY= 553.9 kJ/mol
Energy+ZPE= 520.6 kJ/mol ZPE= 0.0486277
CONNECTIONS:
o EQ27 o DDC82
[ TS367 ] Animation C1 ENERGY= 368.4 kJ/mol
Energy+ZPE= 359.0 kJ/mol ZPE= 0.0577114
CONNECTIONS:
o EQ28 o EQ30
[ TS368 ] Animation C1 ENERGY= 427.3 kJ/mol
Energy+ZPE= 413.0 kJ/mol ZPE= 0.0558617
CONNECTIONS:
o EQ28 o EQ32
[ TS369 ] Animation Cs ENERGY= 444.1 kJ/mol
Energy+ZPE= 419.1 kJ/mol ZPE= 0.0517642
CONNECTIONS:
o EQ28 o DDC83
[ TS370 ] Animation Cs ENERGY= 322.9 kJ/mol
Energy+ZPE= 316.4 kJ/mol ZPE= 0.0588192
CONNECTIONS:
o EQ29 o EQ29
[ TS371 ] Animation Cs ENERGY= 443.8 kJ/mol
Energy+ZPE= 410.7 kJ/mol ZPE= 0.0486986
CONNECTIONS:
o EQ29 o DDC84
[ TS372 ] Animation C1 ENERGY= 634.1 kJ/mol
Energy+ZPE= 611.1 kJ/mol ZPE= 0.0525459
CONNECTIONS:
o EQ29 o DDC85
[ TS373 ] Animation C1 ENERGY= 644.9 kJ/mol
Energy+ZPE= 624.6 kJ/mol ZPE= 0.0535634
CONNECTIONS:
o EQ29 o DDC86
[ TS374 ] Animation C1 ENERGY= 780.1 kJ/mol
Energy+ZPE= 743.6 kJ/mol ZPE= 0.0473782
CONNECTIONS:
o EQ29 o DDC87
[ TS375 ] Animation C1 ENERGY= 428.1 kJ/mol
Energy+ZPE= 412.3 kJ/mol ZPE= 0.0552744
CONNECTIONS:
o EQ30 o EQ34
[ TS376 ] Animation C1 ENERGY= 428.8 kJ/mol
Energy+ZPE= 412.9 kJ/mol ZPE= 0.0552342
CONNECTIONS:
o EQ30 o EQ34
[ TS377 ] Animation C1 ENERGY= 460.8 kJ/mol
Energy+ZPE= 446.7 kJ/mol ZPE= 0.0559180
CONNECTIONS:
o EQ30 o EQ40
[ TS378 ] Animation C1 ENERGY= 385.3 kJ/mol
Energy+ZPE= 376.4 kJ/mol ZPE= 0.0579150
CONNECTIONS:
o EQ31 o EQ42
[ TS379 ] Animation C1 ENERGY= 387.4 kJ/mol
Energy+ZPE= 378.1 kJ/mol ZPE= 0.0577627
CONNECTIONS:
o EQ31 o EQ42
[ TS380 ] Animation C1 ENERGY= 433.6 kJ/mol
Energy+ZPE= 422.2 kJ/mol ZPE= 0.0569472
CONNECTIONS:
o EQ31 o EQ62
[ TS381 ] Animation C1 ENERGY= 691.4 kJ/mol
Energy+ZPE= 668.8 kJ/mol ZPE= 0.0526908
CONNECTIONS:
o EQ31 o EQ74
[ TS382 ] Animation Cs ENERGY= 326.2 kJ/mol
Energy+ZPE= 322.2 kJ/mol ZPE= 0.0597911
CONNECTIONS:
o EQ32 o EQ32
[ TS383 ] Animation C1 ENERGY= 373.4 kJ/mol
Energy+ZPE= 364.8 kJ/mol ZPE= 0.0580205
CONNECTIONS:
o EQ32 o EQ34
[ TS384 ] Animation C1 ENERGY= 646.7 kJ/mol
Energy+ZPE= 625.5 kJ/mol ZPE= 0.0532272
CONNECTIONS:
o EQ32 o EQ72
[ TS385 ] Animation Cs ENERGY= 471.4 kJ/mol
Energy+ZPE= 446.1 kJ/mol ZPE= 0.0516614
CONNECTIONS:
o EQ32 o DDC88
[ TS386 ] Animation C1 ENERGY= 662.8 kJ/mol
Energy+ZPE= 626.5 kJ/mol ZPE= 0.0474889
CONNECTIONS:
o EQ32 o DDC89
[ TS387 ] Animation Cs ENERGY= 356.2 kJ/mol
Energy+ZPE= 350.7 kJ/mol ZPE= 0.0591972
CONNECTIONS:
o EQ33 o EQ33
[ TS388 ] Animation C1 ENERGY= 382.8 kJ/mol
Energy+ZPE= 374.1 kJ/mol ZPE= 0.0579964
CONNECTIONS:
o EQ33 o EQ43
[ TS389 ] Animation Cs ENERGY= 337.1 kJ/mol
Energy+ZPE= 332.6 kJ/mol ZPE= 0.0595689
CONNECTIONS:
o EQ34 o EQ34
[ TS390 ] Animation C1 ENERGY= 632.9 kJ/mol
Energy+ZPE= 613.8 kJ/mol ZPE= 0.0540095
CONNECTIONS:
o EQ34 o EQ71
[ TS391 ] Animation C1 ENERGY= 355.5 kJ/mol
Energy+ZPE= 348.7 kJ/mol ZPE= 0.0587037
CONNECTIONS:
o EQ35 o EQ39
[ TS392 ] Animation C1 ENERGY= 358.7 kJ/mol
Energy+ZPE= 351.3 kJ/mol ZPE= 0.0584925
CONNECTIONS:
o EQ35 o EQ39
[ TS393 ] Animation C1 ENERGY= 351.3 kJ/mol
Energy+ZPE= 340.2 kJ/mol ZPE= 0.0570693
CONNECTIONS:
o EQ35 o EQ41
[ TS394 ] Animation C1 ENERGY= 359.5 kJ/mol
Energy+ZPE= 351.6 kJ/mol ZPE= 0.0582966
CONNECTIONS:
o EQ35 o EQ44
[ TS395 ] Animation C1 ENERGY= 355.2 kJ/mol
Energy+ZPE= 348.2 kJ/mol ZPE= 0.0586449
CONNECTIONS:
o EQ35 o EQ45
[ TS396 ] Animation C1 ENERGY= 617.6 kJ/mol
Energy+ZPE= 597.5 kJ/mol ZPE= 0.0536386
CONNECTIONS:
o EQ35 o DDC90
[ TS397 ] Animation C1 ENERGY= 634.5 kJ/mol
Energy+ZPE= 610.8 kJ/mol ZPE= 0.0522685
CONNECTIONS:
o EQ35 o DDC91
[ TS398 ] Animation C1 ENERGY= 638.2 kJ/mol
Energy+ZPE= 614.8 kJ/mol ZPE= 0.0523906
CONNECTIONS:
o EQ35 o DDC92
[ TS399 ] Animation C1 ENERGY= 708.7 kJ/mol
Energy+ZPE= 688.7 kJ/mol ZPE= 0.0536776
CONNECTIONS:
o EQ35 o DDC93
[ TS400 ] Animation C1 ENERGY= 845.3 kJ/mol
Energy+ZPE= 828.1 kJ/mol ZPE= 0.0547431
CONNECTIONS:
o EQ35 o DDC94
[ TS401 ] Animation Cs ENERGY= 357.7 kJ/mol
Energy+ZPE= 343.1 kJ/mol ZPE= 0.0557487
CONNECTIONS:
o EQ36 o EQ36
[ TS402 ] Animation C1 ENERGY= 369.6 kJ/mol
Energy+ZPE= 356.0 kJ/mol ZPE= 0.0561258
CONNECTIONS:
o EQ36 o EQ36
[ TS403 ] Animation C1 ENERGY= 376.0 kJ/mol
Energy+ZPE= 364.4 kJ/mol ZPE= 0.0568756
CONNECTIONS:
o EQ36 o EQ37
[ TS404 ] Animation C1 ENERGY= 378.5 kJ/mol
Energy+ZPE= 365.6 kJ/mol ZPE= 0.0563830
CONNECTIONS:
o EQ36 o EQ43
[ TS405 ] Animation Cs ENERGY= 485.6 kJ/mol
Energy+ZPE= 458.4 kJ/mol ZPE= 0.0509335
CONNECTIONS:
o EQ36 o DDC95
[ TS406 ] Animation C1 ENERGY= 362.2 kJ/mol
Energy+ZPE= 347.7 kJ/mol ZPE= 0.0557635
CONNECTIONS:
o EQ37 o EQ37
[ TS407 ] Animation C1 ENERGY= 360.4 kJ/mol
Energy+ZPE= 346.8 kJ/mol ZPE= 0.0561114
CONNECTIONS:
o EQ37 o EQ43
[ TS408 ] Animation C1 ENERGY= 364.5 kJ/mol
Energy+ZPE= 351.4 kJ/mol ZPE= 0.0563037
CONNECTIONS:
o EQ37 o EQ43
[ TS409 ] Animation C1 ENERGY= 712.2 kJ/mol
Energy+ZPE= 685.3 kJ/mol ZPE= 0.0510574
CONNECTIONS:
o EQ37 o EQ71
[ TS410 ] Animation C1 ENERGY= 455.2 kJ/mol
Energy+ZPE= 436.4 kJ/mol ZPE= 0.0541489
CONNECTIONS:
o EQ37 o DDC96
[ TS411 ] Animation Cs ENERGY= 495.6 kJ/mol
Energy+ZPE= 470.0 kJ/mol ZPE= 0.0515562
CONNECTIONS:
o EQ37 o DDC97
[ TS412 ] Animation Cs ENERGY= 361.8 kJ/mol
Energy+ZPE= 356.9 kJ/mol ZPE= 0.0594177
CONNECTIONS:
o EQ38 o EQ38
[ TS413 ] Animation C1 ENERGY= 362.9 kJ/mol
Energy+ZPE= 355.3 kJ/mol ZPE= 0.0584086
CONNECTIONS:
o EQ38 o EQ50
[ TS414 ] Animation C1 ENERGY= 749.5 kJ/mol
Energy+ZPE= 737.8 kJ/mol ZPE= 0.0568365
CONNECTIONS:
o EQ38 o EQ81
[ TS415 ] Animation C1 ENERGY= 631.0 kJ/mol
Energy+ZPE= 607.9 kJ/mol ZPE= 0.0524838
CONNECTIONS:
o EQ38 o DDC98
[ TS416 ] Animation C1 ENERGY= 356.4 kJ/mol
Energy+ZPE= 349.4 kJ/mol ZPE= 0.0586163
CONNECTIONS:
o EQ39 o EQ44
[ TS417 ] Animation C1 ENERGY= 358.2 kJ/mol
Energy+ZPE= 350.9 kJ/mol ZPE= 0.0585033
CONNECTIONS:
o EQ39 o EQ45
[ TS418 ] Animation C1 ENERGY= 422.6 kJ/mol
Energy+ZPE= 408.1 kJ/mol ZPE= 0.0557857
CONNECTIONS:
o EQ40 o EQ42
[ TS419 ] Animation C1 ENERGY= 718.1 kJ/mol
Energy+ZPE= 697.2 kJ/mol ZPE= 0.0533478
CONNECTIONS:
o EQ40 o EQ45
[ TS420 ] Animation C1 ENERGY= 443.8 kJ/mol
Energy+ZPE= 435.3 kJ/mol ZPE= 0.0580508
CONNECTIONS:
o EQ42 o EQ62
[ TS421 ] Animation Cs ENERGY= 358.3 kJ/mol
Energy+ZPE= 345.1 kJ/mol ZPE= 0.0562803
CONNECTIONS:
o EQ43 o EQ43
[ TS422 ] Animation C1 ENERGY= 708.6 kJ/mol
Energy+ZPE= 688.1 kJ/mol ZPE= 0.0534971
CONNECTIONS:
o EQ43 o EQ44
[ TS423 ] Animation C1 ENERGY= 469.5 kJ/mol
Energy+ZPE= 449.7 kJ/mol ZPE= 0.0537696
CONNECTIONS:
o EQ43 o DDC99
[ TS424 ] Animation Cs ENERGY= 507.1 kJ/mol
Energy+ZPE= 480.9 kJ/mol ZPE= 0.0513358
CONNECTIONS:
o EQ43 o DDC100
[ TS425 ] Animation C1 ENERGY= 362.3 kJ/mol
Energy+ZPE= 354.4 kJ/mol ZPE= 0.0582993
CONNECTIONS:
o EQ44 o EQ47
[ TS426 ] Animation C1 ENERGY= 697.7 kJ/mol
Energy+ZPE= 671.0 kJ/mol ZPE= 0.0511185
CONNECTIONS:
o EQ44 o DDC101
[ TS427 ] Animation C1 ENERGY= 749.7 kJ/mol
Energy+ZPE= 716.8 kJ/mol ZPE= 0.0487661
CONNECTIONS:
o EQ44 o DDC102
[ TS428 ] Animation Cs ENERGY= 361.3 kJ/mol
Energy+ZPE= 352.7 kJ/mol ZPE= 0.0580213
CONNECTIONS:
o EQ45 o EQ45
[ TS429 ] Animation C1 ENERGY= 365.8 kJ/mol
Energy+ZPE= 358.0 kJ/mol ZPE= 0.0583401
CONNECTIONS:
o EQ45 o EQ47
[ TS430 ] Animation C1 ENERGY= 361.2 kJ/mol
Energy+ZPE= 348.8 kJ/mol ZPE= 0.0565655
CONNECTIONS:
o EQ45 o EQ48
[ TS431 ] Animation C1 ENERGY= 362.8 kJ/mol
Energy+ZPE= 355.5 kJ/mol ZPE= 0.0585162
CONNECTIONS:
o EQ46 o EQ50
[ TS432 ] Animation C1 ENERGY= 725.6 kJ/mol
Energy+ZPE= 710.9 kJ/mol ZPE= 0.0556856
CONNECTIONS:
o EQ46 o EQ81
[ TS433 ] Animation C1 ENERGY= 642.9 kJ/mol
Energy+ZPE= 618.3 kJ/mol ZPE= 0.0519166
CONNECTIONS:
o EQ46 o DDC103
[ TS434 ] Animation C1 ENERGY= 711.5 kJ/mol
Energy+ZPE= 678.3 kJ/mol ZPE= 0.0486598
CONNECTIONS:
o EQ47 o DDC104
[ TS435 ] Animation C1 ENERGY= 730.4 kJ/mol
Energy+ZPE= 698.5 kJ/mol ZPE= 0.0491550
CONNECTIONS:
o EQ47 o DDC105
[ TS436 ] Animation Cs ENERGY= 404.8 kJ/mol
Energy+ZPE= 395.5 kJ/mol ZPE= 0.0577570
CONNECTIONS:
o EQ49 o EQ49
[ TS437 ] Animation C1 ENERGY= 413.4 kJ/mol
Energy+ZPE= 403.5 kJ/mol ZPE= 0.0575314
CONNECTIONS:
o EQ49 o EQ49
[ TS438 ] Animation Cs ENERGY= 465.6 kJ/mol
Energy+ZPE= 444.7 kJ/mol ZPE= 0.0533527
CONNECTIONS:
o EQ49 o EQ49
[ TS439 ] Animation C1 ENERGY= 385.8 kJ/mol
Energy+ZPE= 375.7 kJ/mol ZPE= 0.0574355
CONNECTIONS:
o EQ49 o EQ52
[ TS440 ] Animation C1 ENERGY= 453.1 kJ/mol
Energy+ZPE= 434.0 kJ/mol ZPE= 0.0540311
CONNECTIONS:
o EQ49 o EQ63
[ TS441 ] Animation C1 ENERGY= 574.6 kJ/mol
Energy+ZPE= 554.5 kJ/mol ZPE= 0.0536547
CONNECTIONS:
o EQ49 o EQ68
[ TS442 ] Animation C1 ENERGY= 712.2 kJ/mol
Energy+ZPE= 698.7 kJ/mol ZPE= 0.0561474
CONNECTIONS:
o EQ49 o EQ83
[ TS443 ] Animation C1 ENERGY= 718.7 kJ/mol
Energy+ZPE= 705.4 kJ/mol ZPE= 0.0562136
CONNECTIONS:
o EQ49 o EQ83
[ TS444 ] Animation C1 ENERGY= 620.4 kJ/mol
Energy+ZPE= 598.8 kJ/mol ZPE= 0.0530649
CONNECTIONS:
o EQ49 o DDC106
[ TS445 ] Animation C1 ENERGY= 631.6 kJ/mol
Energy+ZPE= 610.6 kJ/mol ZPE= 0.0533100
CONNECTIONS:
o EQ49 o DDC107
[ TS446 ] Animation C1 ENERGY= 751.9 kJ/mol
Energy+ZPE= 716.3 kJ/mol ZPE= 0.0477206
CONNECTIONS:
o EQ49 o DDC108
[ TS447 ] Animation C1 ENERGY= 863.1 kJ/mol
Energy+ZPE= 838.2 kJ/mol ZPE= 0.0518246
CONNECTIONS:
o EQ49 o DDC109
[ TS448 ] Animation C1 ENERGY= 372.0 kJ/mol
Energy+ZPE= 365.5 kJ/mol ZPE= 0.0588367
CONNECTIONS:
o EQ50 o EQ50
[ TS449 ] Animation Cs ENERGY= 627.1 kJ/mol
Energy+ZPE= 614.3 kJ/mol ZPE= 0.0564354
CONNECTIONS:
o EQ50 o EQ50
[ TS450 ] Animation C1 ENERGY= 816.2 kJ/mol
Energy+ZPE= 801.8 kJ/mol ZPE= 0.0558022
CONNECTIONS:
o EQ50 o EQ81
[ TS451 ] Animation C1 ENERGY= 657.2 kJ/mol
Energy+ZPE= 629.4 kJ/mol ZPE= 0.0506891
CONNECTIONS:
o EQ50 o DDC110
[ TS452 ] Animation C1 ENERGY= 629.4 kJ/mol
Energy+ZPE= 601.4 kJ/mol ZPE= 0.0506467
CONNECTIONS:
o EQ51 o DDC111
[ TS453 ] Animation Cs ENERGY= 400.4 kJ/mol
Energy+ZPE= 393.4 kJ/mol ZPE= 0.0586271
CONNECTIONS:
o EQ53 o EQ53
[ TS454 ] Animation Cs ENERGY= 399.6 kJ/mol
Energy+ZPE= 391.7 kJ/mol ZPE= 0.0582915
CONNECTIONS:
o EQ54 o EQ54
[ TS455 ] Animation Cs ENERGY= 406.0 kJ/mol
Energy+ZPE= 397.6 kJ/mol ZPE= 0.0580974
CONNECTIONS:
o EQ54 o EQ54
[ TS456 ] Animation C1 ENERGY= 742.9 kJ/mol
Energy+ZPE= 722.9 kJ/mol ZPE= 0.0536770
CONNECTIONS:
o EQ54 o EQ59
[ TS457 ] Animation C1 ENERGY= 730.6 kJ/mol
Energy+ZPE= 712.4 kJ/mol ZPE= 0.0543573
CONNECTIONS:
o EQ54 o EQ81
[ TS458 ] Animation C1 ENERGY= 806.7 kJ/mol
Energy+ZPE= 771.2 kJ/mol ZPE= 0.0477759
CONNECTIONS:
o EQ54 o DDC112
[ TS459 ] Animation C1 ENERGY= 807.8 kJ/mol
Energy+ZPE= 772.0 kJ/mol ZPE= 0.0476558
CONNECTIONS:
o EQ54 o DDC113
[ TS460 ] Animation Cs ENERGY= 430.8 kJ/mol
Energy+ZPE= 427.6 kJ/mol ZPE= 0.0600718
CONNECTIONS:
o EQ56 o EQ59
[ TS461 ] Animation Cs ENERGY= 690.9 kJ/mol
Energy+ZPE= 665.2 kJ/mol ZPE= 0.0514989
CONNECTIONS:
o EQ56 o DDC114
[ TS462 ] Animation Cs ENERGY= 413.4 kJ/mol
Energy+ZPE= 404.7 kJ/mol ZPE= 0.0579951
CONNECTIONS:
o EQ57 o EQ57
[ TS463 ] Animation C1 ENERGY= 413.8 kJ/mol
Energy+ZPE= 405.9 kJ/mol ZPE= 0.0582764
CONNECTIONS:
o EQ57 o EQ57
[ TS464 ] Animation C1 ENERGY= 404.0 kJ/mol
Energy+ZPE= 394.0 kJ/mol ZPE= 0.0574890
CONNECTIONS:
o EQ57 o DDC115
[ TS465 ] Animation C1 ENERGY= 475.8 kJ/mol
Energy+ZPE= 466.2 kJ/mol ZPE= 0.0576244
CONNECTIONS:
o EQ58 o EQ60
[ TS466 ] Animation C1 ENERGY= 484.9 kJ/mol
Energy+ZPE= 475.3 kJ/mol ZPE= 0.0576241
CONNECTIONS:
o EQ58 o EQ60
[ TS467 ] Animation C1 ENERGY= 457.7 kJ/mol
Energy+ZPE= 452.2 kJ/mol ZPE= 0.0592020
CONNECTIONS:
o EQ58 o EQ65
[ TS468 ] Animation C1 ENERGY= 428.1 kJ/mol
Energy+ZPE= 419.3 kJ/mol ZPE= 0.0579362
CONNECTIONS:
o EQ58 o DDC116
[ TS469 ] Animation C1 ENERGY= 711.3 kJ/mol
Energy+ZPE= 699.5 kJ/mol ZPE= 0.0567930
CONNECTIONS:
o EQ59 o EQ64
[ TS470 ] Animation C1 ENERGY= 699.5 kJ/mol
Energy+ZPE= 686.3 kJ/mol ZPE= 0.0562876
CONNECTIONS:
o EQ59 o EQ78
[ TS471 ] Animation C1 ENERGY= 710.9 kJ/mol
Energy+ZPE= 697.0 kJ/mol ZPE= 0.0559961
CONNECTIONS:
o EQ59 o EQ83
[ TS472 ] Animation C1 ENERGY= 722.9 kJ/mol
Energy+ZPE= 702.5 kJ/mol ZPE= 0.0535301
CONNECTIONS:
o EQ59 o EQ83
[ TS473 ] Animation C1 ENERGY= 723.4 kJ/mol
Energy+ZPE= 708.8 kJ/mol ZPE= 0.0557340
CONNECTIONS:
o EQ59 o DDC117
[ TS474 ] Animation C1 ENERGY= 457.2 kJ/mol
Energy+ZPE= 450.9 kJ/mol ZPE= 0.0588797
CONNECTIONS:
o EQ60 o EQ64
[ TS475 ] Animation C1 ENERGY= 455.4 kJ/mol
Energy+ZPE= 444.5 kJ/mol ZPE= 0.0571463
CONNECTIONS:
o EQ60 o DDC118
[ TS476 ] Animation C1 ENERGY= 807.4 kJ/mol
Energy+ZPE= 795.3 kJ/mol ZPE= 0.0566804
CONNECTIONS:
o EQ61 o DDC119
[ TS477 ] Animation Cs ENERGY= 449.4 kJ/mol
Energy+ZPE= 444.2 kJ/mol ZPE= 0.0593240
CONNECTIONS:
o EQ62 o EQ62
[ TS478 ] Animation Cs ENERGY= 475.4 kJ/mol
Energy+ZPE= 468.8 kJ/mol ZPE= 0.0587833
CONNECTIONS:
o EQ62 o EQ62
[ TS479 ] Animation C1 ENERGY= 769.8 kJ/mol
Energy+ZPE= 751.1 kJ/mol ZPE= 0.0541625
CONNECTIONS:
o EQ65 o EQ78
[ TS480 ] Animation C1 ENERGY= 669.6 kJ/mol
Energy+ZPE= 656.2 kJ/mol ZPE= 0.0562042
CONNECTIONS:
o EQ65 o DDC120
[ TS481 ] Animation C1 ENERGY= 468.3 kJ/mol
Energy+ZPE= 448.3 kJ/mol ZPE= 0.0536672
CONNECTIONS:
o EQ66 o EQ67
[ TS482 ] Animation C1 ENERGY= 578.5 kJ/mol
Energy+ZPE= 552.3 kJ/mol ZPE= 0.0513023
CONNECTIONS:
o EQ66 o DDC121
[ TS483 ] Animation C1 ENERGY= 471.5 kJ/mol
Energy+ZPE= 447.4 kJ/mol ZPE= 0.0521235
CONNECTIONS:
o EQ67 o DDC122
[ TS484 ] Animation C1 ENERGY= 508.2 kJ/mol
Energy+ZPE= 497.2 kJ/mol ZPE= 0.0571116
CONNECTIONS:
o EQ68 o EQ68
[ TS485 ] Animation Cs ENERGY= 662.7 kJ/mol
Energy+ZPE= 651.0 kJ/mol ZPE= 0.0568484
CONNECTIONS:
o EQ68 o EQ68
[ TS486 ] Animation Cs ENERGY= 899.2 kJ/mol
Energy+ZPE= 871.9 kJ/mol ZPE= 0.0508963
CONNECTIONS:
o EQ68 o EQ68
[ TS487 ] Animation C1 ENERGY= 552.7 kJ/mol
Energy+ZPE= 536.3 kJ/mol ZPE= 0.0550456
CONNECTIONS:
o EQ68 o EQ69
[ TS488 ] Animation C1 ENERGY= 549.9 kJ/mol
Energy+ZPE= 533.8 kJ/mol ZPE= 0.0551676
CONNECTIONS:
o EQ68 o EQ70
[ TS489 ] Animation Cs ENERGY= 639.9 kJ/mol
Energy+ZPE= 603.3 kJ/mol ZPE= 0.0473504
CONNECTIONS:
o EQ68 o DDC123
[ TS490 ] Animation C1 ENERGY= 767.4 kJ/mol
Energy+ZPE= 750.9 kJ/mol ZPE= 0.0550234
CONNECTIONS:
o EQ68 o DDC124
[ TS491 ] Animation C1 ENERGY= 945.4 kJ/mol
Energy+ZPE= 903.8 kJ/mol ZPE= 0.0454354
CONNECTIONS:
o EQ68 o DDC125
[ TS492 ] Animation Cs ENERGY= 543.2 kJ/mol
Energy+ZPE= 528.4 kJ/mol ZPE= 0.0556744
CONNECTIONS:
o EQ69 o EQ69
[ TS493 ] Animation C1 ENERGY= 545.7 kJ/mol
Energy+ZPE= 530.5 kJ/mol ZPE= 0.0555027
CONNECTIONS:
o EQ69 o EQ69
[ TS494 ] Animation Cs ENERGY= 783.7 kJ/mol
Energy+ZPE= 747.6 kJ/mol ZPE= 0.0475431
CONNECTIONS:
o EQ69 o DDC126
[ TS495 ] Animation Cs ENERGY= 832.8 kJ/mol
Energy+ZPE= 798.3 kJ/mol ZPE= 0.0481378
CONNECTIONS:
o EQ69 o DDC127
[ TS496 ] Animation Cs ENERGY= 552.3 kJ/mol
Energy+ZPE= 536.4 kJ/mol ZPE= 0.0552345
CONNECTIONS:
o EQ70 o EQ70
[ TS497 ] Animation Cs ENERGY= 786.7 kJ/mol
Energy+ZPE= 750.5 kJ/mol ZPE= 0.0475031
CONNECTIONS:
o EQ70 o DDC128
[ TS498 ] Animation C1 ENERGY= 680.7 kJ/mol
Energy+ZPE= 659.2 kJ/mol ZPE= 0.0531209
CONNECTIONS:
o EQ71 o EQ72
[ TS499 ] Animation Cs ENERGY= 702.6 kJ/mol
Energy+ZPE= 675.8 kJ/mol ZPE= 0.0510962
CONNECTIONS:
o EQ71 o DDC129
[ TS500 ] Animation C1 ENERGY= 610.9 kJ/mol
Energy+ZPE= 593.0 kJ/mol ZPE= 0.0544753
CONNECTIONS:
o EQ72 o EQ72
[ TS501 ] Animation C1 ENERGY= 611.9 kJ/mol
Energy+ZPE= 593.5 kJ/mol ZPE= 0.0543019
CONNECTIONS:
o EQ72 o EQ74
[ TS502 ] Animation C1 ENERGY= 601.6 kJ/mol
Energy+ZPE= 587.4 kJ/mol ZPE= 0.0558947
CONNECTIONS:
o EQ72 o DDC130
[ TS503 ] Animation C1 ENERGY= 678.6 kJ/mol
Energy+ZPE= 642.7 kJ/mol ZPE= 0.0476065
CONNECTIONS:
o EQ72 o DDC131
[ TS504 ] Animation C1 ENERGY= 601.5 kJ/mol
Energy+ZPE= 586.4 kJ/mol ZPE= 0.0555267
CONNECTIONS:
o EQ73 o EQ75
[ TS505 ] Animation C1 ENERGY= 706.4 kJ/mol
Energy+ZPE= 681.9 kJ/mol ZPE= 0.0519840
CONNECTIONS:
o EQ73 o EQ76
[ TS506 ] Animation C1 ENERGY= 709.1 kJ/mol
Energy+ZPE= 685.3 kJ/mol ZPE= 0.0522473
CONNECTIONS:
o EQ73 o EQ76
[ TS507 ] Animation Cs ENERGY= 709.0 kJ/mol
Energy+ZPE= 680.1 kJ/mol ZPE= 0.0502795
CONNECTIONS:
o EQ73 o DDC132
[ TS508 ] Animation Cs ENERGY= 605.0 kJ/mol
Energy+ZPE= 586.8 kJ/mol ZPE= 0.0543667
CONNECTIONS:
o EQ74 o EQ74
[ TS509 ] Animation C1 ENERGY= 619.0 kJ/mol
Energy+ZPE= 604.0 kJ/mol ZPE= 0.0555723
CONNECTIONS:
o EQ74 o DDC133
[ TS510 ] Animation C1 ENERGY= 639.3 kJ/mol
Energy+ZPE= 608.3 kJ/mol ZPE= 0.0495072
CONNECTIONS:
o EQ74 o DDC134
[ TS511 ] Animation Cs ENERGY= 726.8 kJ/mol
Energy+ZPE= 699.1 kJ/mol ZPE= 0.0507380
CONNECTIONS:
o EQ74 o DDC135
[ TS512 ] Animation C1 ENERGY= 619.9 kJ/mol
Energy+ZPE= 601.1 kJ/mol ZPE= 0.0541468
CONNECTIONS:
o EQ76 o EQ76
[ TS513 ] Animation C1 ENERGY= 615.1 kJ/mol
Energy+ZPE= 596.8 kJ/mol ZPE= 0.0543236
CONNECTIONS:
o EQ76 o DDC136
[ TS514 ] Animation C1 ENERGY= 678.3 kJ/mol
Energy+ZPE= 641.9 kJ/mol ZPE= 0.0474284
CONNECTIONS:
o EQ76 o DDC137
[ TS515 ] Animation C1 ENERGY= 681.8 kJ/mol
Energy+ZPE= 647.9 kJ/mol ZPE= 0.0483938
CONNECTIONS:
o EQ76 o DDC138
[ TS516 ] Animation Cs ENERGY= 621.0 kJ/mol
Energy+ZPE= 603.3 kJ/mol ZPE= 0.0545709
CONNECTIONS:
o EQ77 o EQ77
[ TS517 ] Animation C1 ENERGY= 618.3 kJ/mol
Energy+ZPE= 601.9 kJ/mol ZPE= 0.0550589
CONNECTIONS:
o EQ77 o EQ78
[ TS518 ] Animation C1 ENERGY= 682.5 kJ/mol
Energy+ZPE= 667.1 kJ/mol ZPE= 0.0554472
CONNECTIONS:
o EQ77 o EQ79
[ TS519 ] Animation C1 ENERGY= 629.9 kJ/mol
Energy+ZPE= 607.5 kJ/mol ZPE= 0.0527742
CONNECTIONS:
o EQ77 o DDC139
[ TS520 ] Animation Cs ENERGY= 617.3 kJ/mol
Energy+ZPE= 600.2 kJ/mol ZPE= 0.0547955
CONNECTIONS:
o EQ78 o EQ78
[ TS521 ] Animation C1 ENERGY= 678.6 kJ/mol
Energy+ZPE= 663.8 kJ/mol ZPE= 0.0556674
CONNECTIONS:
o EQ78 o EQ79
[ TS522 ] Animation C1 ENERGY= 741.3 kJ/mol
Energy+ZPE= 717.8 kJ/mol ZPE= 0.0523538
CONNECTIONS:
o EQ78 o EQ80
[ TS523 ] Animation C1 ENERGY= 828.4 kJ/mol
Energy+ZPE= 814.7 kJ/mol ZPE= 0.0560971
CONNECTIONS:
o EQ78 o DDC140
[ TS524 ] Animation Cs ENERGY= 626.7 kJ/mol
Energy+ZPE= 609.1 kJ/mol ZPE= 0.0545919
CONNECTIONS:
o EQ79 o EQ79
[ TS525 ] Animation C1 ENERGY= 645.5 kJ/mol
Energy+ZPE= 623.3 kJ/mol ZPE= 0.0528425
CONNECTIONS:
o EQ79 o DDC141
[ TS526 ] Animation Cs ENERGY= 635.8 kJ/mol
Energy+ZPE= 616.0 kJ/mol ZPE= 0.0537411
CONNECTIONS:
o EQ80 o EQ80
[ TS527 ] Animation C1 ENERGY= 624.0 kJ/mol
Energy+ZPE= 602.6 kJ/mol ZPE= 0.0531327
CONNECTIONS:
o EQ80 o DDC142
[ TS528 ] Animation C1 ENERGY= 637.7 kJ/mol
Energy+ZPE= 618.5 kJ/mol ZPE= 0.0539820
CONNECTIONS:
o EQ80 o DDC143
[ TS529 ] Animation C1 ENERGY= 635.0 kJ/mol
Energy+ZPE= 630.5 kJ/mol ZPE= 0.0596009
CONNECTIONS:
o EQ81 o EQ81
[ TS530 ] Animation Cs ENERGY= 639.6 kJ/mol
Energy+ZPE= 633.4 kJ/mol ZPE= 0.0589528
CONNECTIONS:
o EQ81 o EQ81
[ TS531 ] Animation C1 ENERGY= 719.1 kJ/mol
Energy+ZPE= 710.5 kJ/mol ZPE= 0.0580198
CONNECTIONS:
o EQ81 o EQ81
[ TS532 ] Animation C1 ENERGY= 727.9 kJ/mol
Energy+ZPE= 704.9 kJ/mol ZPE= 0.0525520
CONNECTIONS:
o EQ81 o DDC144
[ TS533 ] Animation C1 ENERGY= 814.9 kJ/mol
Energy+ZPE= 792.6 kJ/mol ZPE= 0.0528189
CONNECTIONS:
o EQ81 o DDC145
[ TS534 ] Animation C1 ENERGY= 817.7 kJ/mol
Energy+ZPE= 802.7 kJ/mol ZPE= 0.0555770
CONNECTIONS:
o EQ81 o DDC146
[ TS535 ] Animation C1 ENERGY= 886.3 kJ/mol
Energy+ZPE= 851.9 kJ/mol ZPE= 0.0482132
CONNECTIONS:
o EQ81 o DDC147
[ TS536 ] Animation C1 ENERGY= 1017.0 kJ/mol
Energy+ZPE= 986.2 kJ/mol ZPE= 0.0495818
CONNECTIONS:
o EQ81 o DDC148
[ TS537 ] Animation Cs ENERGY= 644.8 kJ/mol
Energy+ZPE= 624.7 kJ/mol ZPE= 0.0536525
CONNECTIONS:
o EQ82 o EQ82
[ TS538 ] Animation C1 ENERGY= 638.6 kJ/mol
Energy+ZPE= 617.0 kJ/mol ZPE= 0.0530508
CONNECTIONS:
o EQ82 o DDC149
[ TS539 ] Animation C1 ENERGY= 642.1 kJ/mol
Energy+ZPE= 623.0 kJ/mol ZPE= 0.0540035
CONNECTIONS:
o EQ82 o DDC150
[ TS540 ] Animation Cs ENERGY= 717.9 kJ/mol
Energy+ZPE= 705.6 kJ/mol ZPE= 0.0566186
CONNECTIONS:
o EQ83 o EQ83
[ TS541 ] Animation Cs ENERGY= 726.8 kJ/mol
Energy+ZPE= 706.5 kJ/mol ZPE= 0.0535705
CONNECTIONS:
o EQ83 o EQ83
[ TS542 ] Animation C1 ENERGY= 891.6 kJ/mol
Energy+ZPE= 854.5 kJ/mol ZPE= 0.0471550
CONNECTIONS:
o EQ83 o DDC151
[ TS543 ] Animation C1 ENERGY= 355.0 kJ/mol
Energy+ZPE= 333.1 kJ/mol ZPE= 0.0529590
CONNECTIONS:
o DDC153 o DDC152
[ TS544 ] Animation C1 ENERGY= 356.3 kJ/mol
Energy+ZPE= 334.5 kJ/mol ZPE= 0.0529754
CONNECTIONS:
o DDC155 o DDC154
[ TS545 ] Animation Cs ENERGY= 359.3 kJ/mol
Energy+ZPE= 329.3 kJ/mol ZPE= 0.0498626
CONNECTIONS:
o DDC157 o DDC156
[ TS546 ] Animation Cs ENERGY= 395.4 kJ/mol
Energy+ZPE= 375.2 kJ/mol ZPE= 0.0536203
CONNECTIONS:
o DDC159 o DDC158
[ TS547 ] Animation Cs ENERGY= 403.8 kJ/mol
Energy+ZPE= 376.4 kJ/mol ZPE= 0.0508553
CONNECTIONS:
o DDC161 o DDC160
[ TS548 ] Animation C1 ENERGY= 408.8 kJ/mol
Energy+ZPE= 378.7 kJ/mol ZPE= 0.0498498
CONNECTIONS:
o DDC163 o DDC162
[ TS549 ] Animation C1 ENERGY= 418.0 kJ/mol
Energy+ZPE= 386.4 kJ/mol ZPE= 0.0492451
CONNECTIONS:
o DDC165 o DDC164
[ TS550 ] Animation Cs ENERGY= 473.3 kJ/mol
Energy+ZPE= 449.9 kJ/mol ZPE= 0.0523718
CONNECTIONS:
o DDC167 o DDC166
[ TS551 ] Animation C1 ENERGY= 476.2 kJ/mol
Energy+ZPE= 451.3 kJ/mol ZPE= 0.0518218
CONNECTIONS:
o DDC169 o DDC168
[ TS552 ] Animation C1 ENERGY= 476.9 kJ/mol
Energy+ZPE= 451.2 kJ/mol ZPE= 0.0515010
CONNECTIONS:
o DDC171 o DDC170
[ TS553 ] Animation C1 ENERGY= 477.6 kJ/mol
Energy+ZPE= 452.6 kJ/mol ZPE= 0.0517616
CONNECTIONS:
o DDC173 o DDC172
[ TS554 ] Animation C1 ENERGY= 479.4 kJ/mol
Energy+ZPE= 455.0 kJ/mol ZPE= 0.0520215
CONNECTIONS:
o DDC175 o DDC174
[ TS555 ] Animation C1 ENERGY= 481.2 kJ/mol
Energy+ZPE= 457.3 kJ/mol ZPE= 0.0521905
CONNECTIONS:
o DDC177 o DDC176
[ TS556 ] Animation Cs ENERGY= 489.5 kJ/mol
Energy+ZPE= 449.3 kJ/mol ZPE= 0.0459988
CONNECTIONS:
o DDC179 o DDC178
[ TS557 ] Animation Cs ENERGY= 499.3 kJ/mol
Energy+ZPE= 475.8 kJ/mol ZPE= 0.0523643
CONNECTIONS:
o DDC181 o DDC180
[ TS558 ] Animation Cs ENERGY= 512.4 kJ/mol
Energy+ZPE= 490.1 kJ/mol ZPE= 0.0528147
CONNECTIONS:
o DDC183 o DDC182
[ TS559 ] Animation Cs ENERGY= 513.2 kJ/mol
Energy+ZPE= 480.0 kJ/mol ZPE= 0.0486671
CONNECTIONS:
o DDC185 o DDC184
[ TS560 ] Animation Cs ENERGY= 520.5 kJ/mol
Energy+ZPE= 485.5 kJ/mol ZPE= 0.0479646
CONNECTIONS:
o DDC187 o DDC186
[ TS561 ] Animation C1 ENERGY= 537.6 kJ/mol
Energy+ZPE= 508.1 kJ/mol ZPE= 0.0500749
CONNECTIONS:
o DDC189 o DDC188
[ TS562 ] Animation Cs ENERGY= 548.3 kJ/mol
Energy+ZPE= 520.8 kJ/mol ZPE= 0.0508212
CONNECTIONS:
o DDC191 o DDC190
[ TS563 ] Animation Cs ENERGY= 557.2 kJ/mol
Energy+ZPE= 528.7 kJ/mol ZPE= 0.0504486
CONNECTIONS:
o DDC193 o DDC192
[ TS564 ] Animation C1 ENERGY= 562.0 kJ/mol
Energy+ZPE= 530.3 kJ/mol ZPE= 0.0492416
CONNECTIONS:
o DDC195 o DDC194
[ TS565 ] Animation Cs ENERGY= 566.7 kJ/mol
Energy+ZPE= 539.1 kJ/mol ZPE= 0.0508016
CONNECTIONS:
o DDC197 o DDC196
[ TS566 ] Animation Cs ENERGY= 570.1 kJ/mol
Energy+ZPE= 540.3 kJ/mol ZPE= 0.0499472
CONNECTIONS:
o DDC199 o DDC198
[ TS567 ] Animation C1 ENERGY= 587.1 kJ/mol
Energy+ZPE= 561.2 kJ/mol ZPE= 0.0514506
CONNECTIONS:
o DDC201 o DDC200
[ TS568 ] Animation Cs ENERGY= 603.4 kJ/mol
Energy+ZPE= 563.2 kJ/mol ZPE= 0.0459986
CONNECTIONS:
o DDC203 o DDC202
[ TS569 ] Animation Cs ENERGY= 628.7 kJ/mol
Energy+ZPE= 591.2 kJ/mol ZPE= 0.0470147
CONNECTIONS:
o DDC205 o DDC204
[ TS570 ] Animation C1 ENERGY= 634.0 kJ/mol
Energy+ZPE= 608.9 kJ/mol ZPE= 0.0517285
CONNECTIONS:
o DDC207 o DDC206
[ TS571 ] Animation C1 ENERGY= 683.3 kJ/mol
Energy+ZPE= 660.6 kJ/mol ZPE= 0.0526660
CONNECTIONS:
o DDC209 o DDC208
[ TS572 ] Animation Cs ENERGY= 689.8 kJ/mol
Energy+ZPE= 652.3 kJ/mol ZPE= 0.0470193
CONNECTIONS:
o DDC211 o DDC210
[ TS573 ] Animation Cs ENERGY= 698.0 kJ/mol
Energy+ZPE= 670.1 kJ/mol ZPE= 0.0506565
CONNECTIONS:
o DDC213 o DDC212
[ TS574 ] Animation C1 ENERGY= 726.5 kJ/mol
Energy+ZPE= 699.8 kJ/mol ZPE= 0.0511247
CONNECTIONS:
o DDC215 o DDC214
[ TS575 ] Animation Cs ENERGY= 730.8 kJ/mol
Energy+ZPE= 706.7 kJ/mol ZPE= 0.0521329
CONNECTIONS:
o DDC217 o DDC216
[ TS576 ] Animation Cs ENERGY= 732.0 kJ/mol
Energy+ZPE= 710.0 kJ/mol ZPE= 0.0529237
CONNECTIONS:
o DDC219 o DDC218
[ TS577 ] Animation C1 ENERGY= 736.1 kJ/mol
Energy+ZPE= 707.7 kJ/mol ZPE= 0.0504900
CONNECTIONS:
o DDC221 o DDC220
[ TS578 ] Animation C1 ENERGY= 737.0 kJ/mol
Energy+ZPE= 705.9 kJ/mol ZPE= 0.0494498
CONNECTIONS:
o DDC223 o DDC222
[ TS579 ] Animation C1 ENERGY= 742.7 kJ/mol
Energy+ZPE= 710.8 kJ/mol ZPE= 0.0491493
CONNECTIONS:
o DDC225 o DDC224
[ TS580 ] Animation Cs ENERGY= 742.9 kJ/mol
Energy+ZPE= 720.4 kJ/mol ZPE= 0.0527304
CONNECTIONS:
o DDC227 o DDC226
[ TS581 ] Animation C1 ENERGY= 793.7 kJ/mol
Energy+ZPE= 741.2 kJ/mol ZPE= 0.0412923
CONNECTIONS:
o DDC229 o DDC228
[ TS582 ] Animation Cs ENERGY= 824.2 kJ/mol
Energy+ZPE= 810.7 kJ/mol ZPE= 0.0561382
CONNECTIONS:
o DDC231 o DDC230
[ TS583 ] Animation C1 ENERGY= 473.6 kJ/mol
Energy+ZPE= 455.5 kJ/mol ZPE= 0.0544117
CONNECTIONS:
o xx o EQ15
[ TS584 ] Animation C1 ENERGY= 664.2 kJ/mol
Energy+ZPE= 637.7 kJ/mol ZPE= 0.0512197
CONNECTIONS:
o xx o DDC232
[ TS585 ] Animation C1 ENERGY= 549.1 kJ/mol
Energy+ZPE= 533.6 kJ/mol ZPE= 0.0553795
CONNECTIONS:
o xx o xx
[ DDC0 ]
C1 ENERGY= 55.2 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS13 o EQ0
[ DDC1 ]
C1 ENERGY= 352.9 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS14 o EQ0
[ DDC2 ]
C1 ENERGY= 348.4 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS15 o EQ0
[ DDC3 ]
C1 ENERGY= 221.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS16 o EQ0
[ DDC4 ]
C1 ENERGY= 271.3 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS17 o EQ0
[ DDC5 ]
C1 ENERGY= 54.4 kJ/mol
FRAGMENTS:
CO H4C2
CONNECTIONS:
o TS32 o EQ1
[ DDC6 ]
Cs ENERGY= 286.5 kJ/mol
FRAGMENTS:
H2C2 CO H H
CONNECTIONS:
o TS33 o EQ1
[ DDC7 ]
Cs ENERGY= 412.8 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS34 o EQ1
[ DDC8 ]
C1 ENERGY= 232.7 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS35 o EQ1
[ DDC9 ]
Cs ENERGY= 270.7 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS36 o EQ1
[ DDC10 ]
C1 ENERGY= 77.0 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS63 o EQ2
[ DDC11 ]
C1 ENERGY= 65.9 kJ/mol
FRAGMENTS:
CO H4C2
CONNECTIONS:
o TS64 o EQ2
[ DDC12 ]
C1 ENERGY= 392.6 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS65 o EQ2
[ DDC13 ]
Cs ENERGY= 438.6 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS66 o EQ2
[ DDC14 ]
Cs ENERGY= 43.3 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS73 o EQ3
[ DDC15 ]
C1 ENERGY= 81.6 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS74 o EQ3
[ DDC16 ]
C1 ENERGY= 263.7 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS94 o EQ4
[ DDC17 ]
C1 ENERGY= 418.5 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS95 o EQ4
[ DDC18 ]
C1 ENERGY= 432.0 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS96 o EQ4
[ DDC19 ]
C1 ENERGY= 641.5 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS97 o EQ4
[ DDC20 ]
C1 ENERGY= 499.9 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS98 o EQ4
[ DDC21 ]
C1 ENERGY= 269.2 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS112 o EQ5
[ DDC22 ]
C1 ENERGY= 243.1 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS113 o EQ5
[ DDC23 ]
C1 ENERGY= 414.5 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS114 o EQ5
[ DDC24 ]
C1 ENERGY= 388.4 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS127 o EQ6
[ DDC25 ]
C1 ENERGY= 444.3 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS128 o EQ6
[ DDC26 ]
C1 ENERGY= 452.3 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS150 o EQ7
[ DDC27 ]
Cs ENERGY= 222.1 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS151 o EQ7
[ DDC28 ]
C1 ENERGY= 483.8 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS152 o EQ7
[ DDC29 ]
C1 ENERGY= 403.5 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS153 o EQ7
[ DDC30 ]
C1 ENERGY= 103.6 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS154 o EQ7
[ DDC31 ]
C1 ENERGY= 493.1 kJ/mol
FRAGMENTS:
H3C2 HCO
CONNECTIONS:
o TS155 o EQ7
[ DDC32 ]
C1 ENERGY= 268.4 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS165 o EQ8
[ DDC33 ]
C1 ENERGY= 463.8 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS166 o EQ8
[ DDC34 ]
C1 ENERGY= 472.4 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS167 o EQ8
[ DDC35 ]
C1 ENERGY= 428.0 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS168 o EQ8
[ DDC36 ]
C1 ENERGY= 479.5 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS169 o EQ8
[ DDC37 ]
C1 ENERGY= 236.1 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS187 o EQ9
[ DDC38 ]
C1 ENERGY= 458.0 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS188 o EQ9
[ DDC39 ]
C1 ENERGY= 457.5 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS189 o EQ9
[ DDC40 ]
C1 ENERGY= 437.3 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS190 o EQ9
[ DDC41 ]
C1 ENERGY= 247.3 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS191 o EQ9
[ DDC42 ]
C1 ENERGY= 438.5 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS192 o EQ9
[ DDC43 ]
C1 ENERGY= 447.5 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS199 o EQ10
[ DDC44 ]
C1 ENERGY= 465.1 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS200 o EQ10
[ DDC45 ]
C1 ENERGY= 314.7 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS210 o EQ11
[ DDC46 ]
C1 ENERGY= 580.5 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS211 o EQ11
[ DDC47 ]
C1 ENERGY= 589.9 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS212 o EQ11
[ DDC48 ]
C1 ENERGY= 656.8 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS213 o EQ11
[ DDC49 ]
C1 ENERGY= 439.7 kJ/mol
FRAGMENTS:
H3CO HC2
CONNECTIONS:
o TS214 o EQ11
[ DDC50 ]
C1 ENERGY= 1024.3 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS215 o EQ11
[ DDC51 ]
C1 ENERGY= 418.8 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS230 o EQ12
[ DDC52 ]
C1 ENERGY= 252.6 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS244 o EQ13
[ DDC53 ]
C1 ENERGY= 408.3 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS245 o EQ13
[ DDC54 ]
C1 ENERGY= 459.1 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS254 o EQ14
[ DDC55 ]
Cs ENERGY= 548.3 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS255 o EQ14
[ DDC56 ]
C1 ENERGY= 477.6 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS270 o EQ15
[ DDC57 ]
C1 ENERGY= 423.0 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS276 o EQ16
[ DDC58 ]
C1 ENERGY= 357.6 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS282 o EQ17
[ DDC59 ]
C1 ENERGY= 362.9 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS283 o EQ17
[ DDC60 ]
C1 ENERGY= 422.9 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS284 o EQ17
[ DDC61 ]
Cs ENERGY= 730.7 kJ/mol
FRAGMENTS:
H2C H2C2O
CONNECTIONS:
o TS285 o EQ17
[ DDC62 ]
Cs ENERGY= 217.5 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS290 o EQ18
[ DDC63 ]
C1 ENERGY= 485.3 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS306 o EQ19
[ DDC64 ]
C1 ENERGY= 104.7 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS307 o EQ19
[ DDC65 ]
Cs ENERGY= 475.1 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS308 o EQ19
[ DDC66 ]
Cs ENERGY= 552.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS314 o EQ20
[ DDC67 ]
Cs ENERGY= 295.3 kJ/mol
FRAGMENTS:
H2C2 CO H H
CONNECTIONS:
o TS321 o EQ21
[ DDC68 ]
C1 ENERGY= 91.2 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS322 o EQ21
[ DDC69 ]
C1 ENERGY= 109.3 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS323 o EQ21
[ DDC70 ]
C1 ENERGY= 98.6 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS325 o EQ22
[ DDC71 ]
Cs ENERGY= 46.1 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS326 o EQ22
[ DDC72 ]
C1 ENERGY= 634.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS327 o EQ22
[ DDC73 ]
C1 ENERGY= 619.8 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS328 o EQ22
[ DDC74 ]
C1 ENERGY= 495.0 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS329 o EQ22
[ DDC75 ]
Cs ENERGY= 730.7 kJ/mol
FRAGMENTS:
H2C H2C2O
CONNECTIONS:
o TS330 o EQ22
[ DDC76 ]
C1 ENERGY= 607.4 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS338 o EQ23
[ DDC77 ]
C1 ENERGY= 252.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS343 o EQ24
[ DDC78 ]
C1 ENERGY= 410.1 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS350 o EQ25
[ DDC79 ]
Cs ENERGY= 758.7 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS351 o EQ25
[ DDC80 ]
Cs ENERGY= 231.1 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS359 o EQ26
[ DDC81 ]
C1 ENERGY= 95.2 kJ/mol
FRAGMENTS:
CO H4C2
CONNECTIONS:
o TS365 o EQ27
[ DDC82 ]
Cs ENERGY= 446.2 kJ/mol
FRAGMENTS:
CO H2C2 H H
CONNECTIONS:
o TS366 o EQ27
[ DDC83 ]
Cs ENERGY= 248.7 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS369 o EQ28
[ DDC84 ]
Cs ENERGY= 291.5 kJ/mol
FRAGMENTS:
H2C2 CO H H
CONNECTIONS:
o TS371 o EQ29
[ DDC85 ]
C1 ENERGY= 85.1 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS372 o EQ29
[ DDC86 ]
C1 ENERGY= 175.4 kJ/mol
FRAGMENTS:
HCO H3C2
CONNECTIONS:
o TS373 o EQ29
[ DDC87 ]
C1 ENERGY= 757.1 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS374 o EQ29
[ DDC88 ]
Cs ENERGY= 257.5 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS385 o EQ32
[ DDC89 ]
C1 ENERGY= 647.4 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS386 o EQ32
[ DDC90 ]
C1 ENERGY= 402.2 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS396 o EQ35
[ DDC91 ]
C1 ENERGY= 413.1 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS397 o EQ35
[ DDC92 ]
C1 ENERGY= 415.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS398 o EQ35
[ DDC93 ]
C1 ENERGY= 657.7 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS399 o EQ35
[ DDC94 ]
C1 ENERGY= 340.1 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS400 o EQ35
[ DDC95 ]
Cs ENERGY= 256.7 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS405 o EQ36
[ DDC96 ]
C1 ENERGY= 233.3 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS410 o EQ37
[ DDC97 ]
Cs ENERGY= 272.9 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS411 o EQ37
[ DDC98 ]
C1 ENERGY= 416.5 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS415 o EQ38
[ DDC99 ]
C1 ENERGY= 236.8 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS423 o EQ43
[ DDC100 ]
Cs ENERGY= 274.7 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS424 o EQ43
[ DDC101 ]
C1 ENERGY= 521.5 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS426 o EQ44
[ DDC102 ]
C1 ENERGY= 431.6 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS427 o EQ44
[ DDC103 ]
C1 ENERGY= 426.1 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS433 o EQ46
[ DDC104 ]
C1 ENERGY= 631.1 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS434 o EQ47
[ DDC105 ]
C1 ENERGY= 464.0 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS435 o EQ47
[ DDC106 ]
C1 ENERGY= 302.2 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS444 o EQ49
[ DDC107 ]
C1 ENERGY= 311.9 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS445 o EQ49
[ DDC108 ]
C1 ENERGY= 658.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS446 o EQ49
[ DDC109 ]
C1 ENERGY= 655.2 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS447 o EQ49
[ DDC110 ]
C1 ENERGY= 448.4 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS451 o EQ50
[ DDC111 ]
C1 ENERGY= 503.6 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS452 o EQ51
[ DDC112 ]
C1 ENERGY= 769.7 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS458 o EQ54
[ DDC113 ]
C1 ENERGY= 760.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS459 o EQ54
[ DDC114 ]
Cs ENERGY= 592.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS461 o EQ56
[ DDC115 ]
C1 ENERGY= 366.4 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS464 o EQ57
[ DDC116 ]
C1 ENERGY= 232.3 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS468 o EQ58
[ DDC117 ]
C1 ENERGY= 609.4 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS473 o EQ59
[ DDC118 ]
C1 ENERGY= 245.9 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS475 o EQ60
[ DDC119 ]
C1 ENERGY= 651.1 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS476 o EQ61
[ DDC120 ]
C1 ENERGY= 562.5 kJ/mol
FRAGMENTS:
H3C2 HCO
CONNECTIONS:
o TS480 o EQ65
[ DDC121 ]
C1 ENERGY= 247.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS482 o EQ66
[ DDC122 ]
C1 ENERGY= 471.5 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS483 o EQ67
[ DDC123 ]
Cs ENERGY= 470.3 kJ/mol
FRAGMENTS:
CO H2C2 H H
CONNECTIONS:
o TS489 o EQ68
[ DDC124 ]
C1 ENERGY= 387.7 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS490 o EQ68
[ DDC125 ]
C1 ENERGY= 792.4 kJ/mol
FRAGMENTS:
H3C HC2O
CONNECTIONS:
o TS491 o EQ68
[ DDC126 ]
Cs ENERGY= 608.9 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS494 o EQ69
[ DDC127 ]
Cs ENERGY= 643.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS495 o EQ69
[ DDC128 ]
Cs ENERGY= 597.8 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS497 o EQ70
[ DDC129 ]
Cs ENERGY= 486.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS499 o EQ71
[ DDC130 ]
C1 ENERGY= 102.5 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS502 o EQ72
[ DDC131 ]
C1 ENERGY= 374.6 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS503 o EQ72
[ DDC132 ]
Cs ENERGY= 464.4 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS507 o EQ73
[ DDC133 ]
C1 ENERGY= 108.1 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS509 o EQ74
[ DDC134 ]
C1 ENERGY= 477.3 kJ/mol
FRAGMENTS:
H3C2 CO H
CONNECTIONS:
o TS510 o EQ74
[ DDC135 ]
Cs ENERGY= 501.1 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS511 o EQ74
[ DDC136 ]
C1 ENERGY= 105.2 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS513 o EQ76
[ DDC137 ]
C1 ENERGY= 428.9 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS514 o EQ76
[ DDC138 ]
C1 ENERGY= 318.9 kJ/mol
FRAGMENTS:
H2C2 CO H H
CONNECTIONS:
o TS515 o EQ76
[ DDC139 ]
C1 ENERGY= 295.7 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS519 o EQ77
[ DDC140 ]
C1 ENERGY= 626.3 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS523 o EQ78
[ DDC141 ]
C1 ENERGY= 293.6 kJ/mol
FRAGMENTS:
H3C2 HCO
CONNECTIONS:
o TS525 o EQ79
[ DDC142 ]
C1 ENERGY= 339.3 kJ/mol
FRAGMENTS:
HCO H3C2
CONNECTIONS:
o TS527 o EQ80
[ DDC143 ]
C1 ENERGY= 573.4 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS528 o EQ80
[ DDC144 ]
C1 ENERGY= 479.8 kJ/mol
FRAGMENTS:
H4C C2O
CONNECTIONS:
o TS532 o EQ81
[ DDC145 ]
C1 ENERGY= 349.4 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS533 o EQ81
[ DDC146 ]
C1 ENERGY= 650.7 kJ/mol
FRAGMENTS:
H4CO C2
CONNECTIONS:
o TS534 o EQ81
[ DDC147 ]
C1 ENERGY= 581.4 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS535 o EQ81
[ DDC148 ]
C1 ENERGY= 500.9 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o TS536 o EQ81
[ DDC149 ]
C1 ENERGY= 339.6 kJ/mol
FRAGMENTS:
HCO H3C2
CONNECTIONS:
o TS538 o EQ82
[ DDC150 ]
C1 ENERGY= 171.4 kJ/mol
FRAGMENTS:
HCO H3C2
CONNECTIONS:
o TS539 o EQ82
[ DDC151 ]
C1 ENERGY= 891.1 kJ/mol
FRAGMENTS:
H2C H2C CO
CONNECTIONS:
o TS542 o EQ83
[ DDC152 ]
C1 ENERGY= 354.8 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS543 o DDC153
[ DDC153 ]
C1 ENERGY= 351.2 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS543 o DDC152
[ DDC154 ]
C1 ENERGY= 342.8 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS544 o DDC155
[ DDC155 ]
C1 ENERGY= 356.1 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS544 o DDC154
[ DDC156 ]
Cs ENERGY= 57.2 kJ/mol
FRAGMENTS:
CO H4C2
CONNECTIONS:
o TS545 o DDC157
[ DDC157 ]
Cs ENERGY= 225.8 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS545 o DDC156
[ DDC158 ]
C1 ENERGY= 391.2 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS546 o DDC159
[ DDC159 ]
C1 ENERGY= 391.3 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS546 o DDC158
[ DDC160 ]
Cs ENERGY= 238.0 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS547 o DDC161
[ DDC161 ]
Cs ENERGY= 382.1 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS547 o DDC160
[ DDC162 ]
C1 ENERGY= 389.5 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS548 o DDC163
[ DDC163 ]
C1 ENERGY= 215.3 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS548 o DDC162
[ DDC164 ]
C1 ENERGY= 390.4 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS549 o DDC165
[ DDC165 ]
C1 ENERGY= 231.6 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS549 o DDC164
[ DDC166 ]
Cs ENERGY= 472.9 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS550 o DDC167
[ DDC167 ]
Cs ENERGY= 472.1 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS550 o DDC166
[ DDC168 ]
C1 ENERGY= 475.0 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS551 o DDC169
[ DDC169 ]
C1 ENERGY= 473.3 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS551 o DDC168
[ DDC170 ]
C1 ENERGY= 476.1 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS552 o DDC171
[ DDC171 ]
C1 ENERGY= 475.3 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS552 o DDC170
[ DDC172 ]
C1 ENERGY= 473.9 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS553 o DDC173
[ DDC173 ]
C1 ENERGY= 476.3 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS553 o DDC172
[ DDC174 ]
C1 ENERGY= 476.5 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS554 o DDC175
[ DDC175 ]
C1 ENERGY= 477.9 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS554 o DDC174
[ DDC176 ]
C1 ENERGY= 466.9 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS555 o DDC177
[ DDC177 ]
C1 ENERGY= 469.0 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS555 o DDC176
[ DDC178 ]
Cs ENERGY= 284.4 kJ/mol
FRAGMENTS:
H2C2 CO H H
CONNECTIONS:
o TS556 o DDC179
[ DDC179 ]
Cs ENERGY= 245.0 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS556 o DDC178
[ DDC180 ]
C1 ENERGY= 343.7 kJ/mol
FRAGMENTS:
H3C HC2O
CONNECTIONS:
o TS557 o DDC181
[ DDC181 ]
C1 ENERGY= 343.6 kJ/mol
FRAGMENTS:
H3C HC2O
CONNECTIONS:
o TS557 o DDC180
[ DDC182 ]
C1 ENERGY= 473.9 kJ/mol
FRAGMENTS:
HC2O H3C
CONNECTIONS:
o TS558 o DDC183
[ DDC183 ]
C1 ENERGY= 473.9 kJ/mol
FRAGMENTS:
HC2O H3C
CONNECTIONS:
o TS558 o DDC182
[ DDC184 ]
Cs ENERGY= 329.2 kJ/mol
FRAGMENTS:
HCO H2C2 H
CONNECTIONS:
o TS559 o DDC185
[ DDC185 ]
Cs ENERGY= 470.6 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS559 o DDC184
[ DDC186 ]
C1 ENERGY= 356.9 kJ/mol
FRAGMENTS:
H4C2 CO
CONNECTIONS:
o TS560 o DDC187
[ DDC187 ]
Cs ENERGY= 299.2 kJ/mol
FRAGMENTS:
H2C2 CO H H
CONNECTIONS:
o TS560 o DDC186
[ DDC188 ]
C1 ENERGY= 121.1 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS561 o DDC189
[ DDC189 ]
C1 ENERGY= 337.2 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS561 o DDC188
[ DDC190 ]
Cs ENERGY= 535.9 kJ/mol
FRAGMENTS:
HCO H3C2
CONNECTIONS:
o TS562 o DDC191
[ DDC191 ]
Cs ENERGY= 471.0 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS562 o DDC190
[ DDC192 ]
Cs ENERGY= 446.5 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS563 o DDC193
[ DDC193 ]
Cs ENERGY= 540.2 kJ/mol
FRAGMENTS:
HCO H3C2
CONNECTIONS:
o TS563 o DDC192
[ DDC194 ]
C1 ENERGY= 247.4 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS564 o DDC195
[ DDC195 ]
C1 ENERGY= 251.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS564 o DDC194
[ DDC196 ]
Cs ENERGY= 538.2 kJ/mol
FRAGMENTS:
H3C2 HCO
CONNECTIONS:
o TS565 o DDC197
[ DDC197 ]
Cs ENERGY= 550.4 kJ/mol
FRAGMENTS:
H3C2 HCO
CONNECTIONS:
o TS565 o DDC196
[ DDC198 ]
Cs ENERGY= 150.7 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS566 o DDC199
[ DDC199 ]
Cs ENERGY= 423.8 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS566 o DDC198
[ DDC200 ]
C1 ENERGY= 249.8 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS567 o DDC201
[ DDC201 ]
C1 ENERGY= 471.7 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS567 o DDC200
[ DDC202 ]
Cs ENERGY= 318.9 kJ/mol
FRAGMENTS:
H2C2 CO H H
CONNECTIONS:
o TS568 o DDC203
[ DDC203 ]
C1 ENERGY= 495.8 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS568 o DDC202
[ DDC204 ]
Cs ENERGY= 626.4 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS569 o DDC205
[ DDC205 ]
Cs ENERGY= 628.2 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS569 o DDC204
[ DDC206 ]
C1 ENERGY= 623.1 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS570 o DDC207
[ DDC207 ]
C1 ENERGY= 628.0 kJ/mol
FRAGMENTS:
H2C2 H2CO
CONNECTIONS:
o TS570 o DDC206
[ DDC208 ]
C1 ENERGY= 465.3 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS571 o DDC209
[ DDC209 ]
C1 ENERGY= 435.2 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS571 o DDC208
[ DDC210 ]
Cs ENERGY= 339.1 kJ/mol
FRAGMENTS:
CO H2C2 H H
CONNECTIONS:
o TS572 o DDC211
[ DDC211 ]
Cs ENERGY= 605.1 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS572 o DDC210
[ DDC212 ]
Cs ENERGY= 486.6 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS573 o DDC213
[ DDC213 ]
C1 ENERGY= 107.0 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS573 o DDC212
[ DDC214 ]
C1 ENERGY= 439.0 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS574 o DDC215
[ DDC215 ]
C1 ENERGY= 448.0 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS574 o DDC214
[ DDC216 ]
C1 ENERGY= 578.9 kJ/mol
FRAGMENTS:
H3C HC2O
CONNECTIONS:
o TS575 o DDC217
[ DDC217 ]
C1 ENERGY= 578.9 kJ/mol
FRAGMENTS:
H3C HC2O
CONNECTIONS:
o TS575 o DDC216
[ DDC218 ]
C1 ENERGY= 540.9 kJ/mol
FRAGMENTS:
H3C HC2O
CONNECTIONS:
o TS576 o DDC219
[ DDC219 ]
C1 ENERGY= 540.9 kJ/mol
FRAGMENTS:
H3C HC2O
CONNECTIONS:
o TS576 o DDC218
[ DDC220 ]
C1 ENERGY= 735.5 kJ/mol
FRAGMENTS:
H2C H2C2O
CONNECTIONS:
o TS577 o DDC221
[ DDC221 ]
C1 ENERGY= 736.0 kJ/mol
FRAGMENTS:
H2C H2C2O
CONNECTIONS:
o TS577 o DDC220
[ DDC222 ]
C1 ENERGY= 654.4 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS578 o DDC223
[ DDC223 ]
C1 ENERGY= 713.7 kJ/mol
FRAGMENTS:
HCO H3C2
CONNECTIONS:
o TS578 o DDC222
[ DDC224 ]
C1 ENERGY= 632.0 kJ/mol
FRAGMENTS:
H2CO H2C2
CONNECTIONS:
o TS579 o DDC225
[ DDC225 ]
C1 ENERGY= 707.5 kJ/mol
FRAGMENTS:
HCO H3C2
CONNECTIONS:
o TS579 o DDC224
[ DDC226 ]
C1 ENERGY= 685.5 kJ/mol
FRAGMENTS:
HC2O H3C
CONNECTIONS:
o TS580 o DDC227
[ DDC227 ]
C1 ENERGY= 685.6 kJ/mol
FRAGMENTS:
HC2O H3C
CONNECTIONS:
o TS580 o DDC226
[ DDC228 ]
C1 ENERGY= 777.0 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS581 o DDC229
[ DDC229 ]
C1 ENERGY= 592.9 kJ/mol
FRAGMENTS:
H2C3O H H
CONNECTIONS:
o TS581 o DDC228
[ DDC230 ]
C1 ENERGY= 615.5 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS582 o DDC231
[ DDC231 ]
C1 ENERGY= 615.7 kJ/mol
FRAGMENTS:
H4C3O
CONNECTIONS:
o TS582 o DDC230
[ DDC232 ]
C1 ENERGY= 489.6 kJ/mol
FRAGMENTS:
H2C3 H2O
CONNECTIONS:
o TS584 o xx
[ UDC0 ]
C1 ENERGY= 520.0 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ0 o
[ UDC1 ]
Cs ENERGY= 926.8 kJ/mol
FRAGMENTS:
H4C3 O
CONNECTIONS:
o EQ0 o
[ UDC2 ]
Cs ENERGY= 437.1 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ1 o
[ UDC3 ]
Cs ENERGY= 475.8 kJ/mol
FRAGMENTS:
H3C2 HCO
CONNECTIONS:
o EQ1 o
[ UDC4 ]
Cs ENERGY= 533.6 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ1 o
[ UDC5 ]
Cs ENERGY= 543.8 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ1 o
[ UDC6 ]
Cs ENERGY= 544.6 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ1 o
[ UDC7 ]
C1 ENERGY= 918.6 kJ/mol
FRAGMENTS:
H4C3 O
CONNECTIONS:
o EQ1 o
[ UDC8 ]
Cs ENERGY= 433.6 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ2 o
[ UDC9 ]
Cs ENERGY= 449.2 kJ/mol
FRAGMENTS:
HCO H3C2
CONNECTIONS:
o EQ2 o
[ UDC10 ]
Cs ENERGY= 552.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ2 o
[ UDC11 ]
Cs ENERGY= 559.0 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ2 o
[ UDC12 ]
C1 ENERGY= 573.3 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ3 o
[ UDC13 ]
C2v ENERGY= 973.1 kJ/mol
FRAGMENTS:
H4C3 O
CONNECTIONS:
o EQ3 o
[ UDC14 ]
C1 ENERGY= 587.7 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ5 o
[ UDC15 ]
Cs ENERGY= 677.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ5 o
[ UDC16 ]
Cs ENERGY= 691.7 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ5 o
[ UDC17 ]
C1 ENERGY= 635.6 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ6 o
[ UDC18 ]
Cs ENERGY= 678.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ6 o
[ UDC19 ]
Cs ENERGY= 679.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ6 o
[ UDC20 ]
C1 ENERGY= 603.3 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ7 o
[ UDC21 ]
C1 ENERGY= 566.0 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ8 o
[ UDC22 ]
C1 ENERGY= 595.0 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ8 o
[ UDC23 ]
C1 ENERGY= 571.5 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ9 o
[ UDC24 ]
C1 ENERGY= 701.9 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ9 o
[ UDC25 ]
C1 ENERGY= 806.7 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ9 o
[ UDC26 ]
C1 ENERGY= 552.8 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ10 o
[ UDC27 ]
Cs ENERGY= 716.6 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ10 o
[ UDC28 ]
C1 ENERGY= 654.3 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ11 o
[ UDC29 ]
C1 ENERGY= 622.6 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ12 o
[ UDC30 ]
Cs ENERGY= 743.7 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ12 o
[ UDC31 ]
C1 ENERGY= 633.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ13 o
[ UDC32 ]
C1 ENERGY= 703.0 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ14 o
[ UDC33 ]
Cs ENERGY= 738.8 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ14 o
[ UDC34 ]
C1 ENERGY= 640.0 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ15 o
[ UDC35 ]
C1 ENERGY= 709.7 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ15 o
[ UDC36 ]
Cs ENERGY= 535.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ16 o
[ UDC37 ]
Cs ENERGY= 638.7 kJ/mol
FRAGMENTS:
H3C2 HCO
CONNECTIONS:
o EQ16 o
[ UDC38 ]
Cs ENERGY= 771.3 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ16 o
[ UDC39 ]
Cs ENERGY= 773.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ16 o
[ UDC40 ]
C1 ENERGY= 692.5 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ17 o
[ UDC41 ]
Cs ENERGY= 776.8 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ18 o
[ UDC42 ]
Cs ENERGY= 778.6 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ18 o
[ UDC43 ]
C1 ENERGY= 768.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ19 o
[ UDC44 ]
C1 ENERGY= 780.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ19 o
[ UDC45 ]
Cs ENERGY= 721.3 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ20 o
[ UDC46 ]
C1 ENERGY= 781.0 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ20 o
[ UDC47 ]
C1 ENERGY= 773.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ21 o
[ UDC48 ]
C1 ENERGY= 736.3 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ22 o
[ UDC49 ]
C1 ENERGY= 745.3 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ22 o
[ UDC50 ]
Cs ENERGY= 688.7 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ25 o
[ UDC51 ]
Cs ENERGY= 771.4 kJ/mol
FRAGMENTS:
HC H3C2O
CONNECTIONS:
o EQ25 o
[ UDC52 ]
Cs ENERGY= 814.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ25 o
[ UDC53 ]
Cs ENERGY= 835.9 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ25 o
[ UDC54 ]
Cs ENERGY= 837.6 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ25 o
[ UDC55 ]
C1 ENERGY= 694.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ26 o
[ UDC56 ]
C1 ENERGY= 842.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ26 o
[ UDC57 ]
C1 ENERGY= 861.1 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ26 o
[ UDC58 ]
Cs ENERGY= 847.9 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ27 o
[ UDC59 ]
Cs ENERGY= 745.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ28 o
[ UDC60 ]
C1 ENERGY= 855.1 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ29 o
[ UDC61 ]
Cs ENERGY= 736.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ30 o
[ UDC62 ]
Cs ENERGY= 421.4 kJ/mol
FRAGMENTS:
H2C3O H2
CONNECTIONS:
o EQ31 o
[ UDC63 ]
Cs ENERGY= 821.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ31 o
[ UDC64 ]
C1 ENERGY= 649.0 kJ/mol
FRAGMENTS:
H2C3O H2
CONNECTIONS:
o EQ32 o
[ UDC65 ]
C1 ENERGY= 768.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ33 o
[ UDC66 ]
C1 ENERGY= 676.9 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ34 o
[ UDC67 ]
C1 ENERGY= 878.8 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ35 o
[ UDC68 ]
C1 ENERGY= 784.9 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ36 o
[ UDC69 ]
C1 ENERGY= 764.3 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ37 o
[ UDC70 ]
C1 ENERGY= 807.8 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ38 o
[ UDC71 ]
C1 ENERGY= 767.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ39 o
[ UDC72 ]
C1 ENERGY= 880.3 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ39 o
[ UDC73 ]
Cs ENERGY= 713.6 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ40 o
[ UDC74 ]
Cs ENERGY= 760.0 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ40 o
[ UDC75 ]
Cs ENERGY= 827.9 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ40 o
[ UDC76 ]
C1 ENERGY= 760.3 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ42 o
[ UDC77 ]
C1 ENERGY= 792.9 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ42 o
[ UDC78 ]
C1 ENERGY= 767.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ43 o
[ UDC79 ]
C1 ENERGY= 890.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ44 o
[ UDC80 ]
C1 ENERGY= 888.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ45 o
[ UDC81 ]
C1 ENERGY= 794.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ46 o
[ UDC82 ]
C1 ENERGY= 1174.6 kJ/mol
FRAGMENTS:
H4C2O C
CONNECTIONS:
o EQ47 o
[ UDC83 ]
C1 ENERGY= 951.6 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ51 o
[ UDC84 ]
C1 ENERGY= 820.1 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ55 o
[ UDC85 ]
C1 ENERGY= 942.7 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ55 o
[ UDC86 ]
C1 ENERGY= 948.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ55 o
[ UDC87 ]
C1 ENERGY= 845.7 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ58 o
[ UDC88 ]
C1 ENERGY= 850.5 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ60 o
[ UDC89 ]
C1 ENERGY= 882.5 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ64 o
[ UDC90 ]
C1 ENERGY= 936.0 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ65 o
[ UDC91 ]
C1 ENERGY= 937.2 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ68 o
[ UDC92 ]
C1 ENERGY= 888.7 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ73 o
[ UDC93 ]
C1 ENERGY= 1056.5 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ77 o
[ UDC94 ]
C1 ENERGY= 1053.9 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ79 o
[ UDC95 ]
C1 ENERGY= 859.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ81 o
[ UDC96 ]
C1 ENERGY= 1119.0 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ81 o
[ UDC97 ]
C1 ENERGY= 1129.4 kJ/mol
FRAGMENTS:
H3C3O H
CONNECTIONS:
o EQ81 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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