Reaction Routes of
H3C3N
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/6-31G*
© 2009 Koichi OHNO
Explored: EQ70 TS431
Cs ENERGY= 0.0 kJ/mol ( -170.8315515 Hartree)
Energy+ZPE= 0.0 kJ/mol ZPE= 0.0509744
CONNECTIONS:
o TS0 (377.5) o EQ0
o TS1 (516.0) o EQ0
o TS2 (250.9) o EQ1
o TS3 (433.4) o EQ2
o TS4 (466.1) o EQ2
o TS5 (660.3) o EQ2
o TS6 (652.2) o EQ3
o TS7 (578.1) o EQ4
o TS8 (400.9) o EQ5
o TS9 (405.7) o EQ5
o TS10 (419.2) o EQ6
o TS11 (579.7) o EQ6
o TS12 (476.8) o EQ7
o TS13 (312.6) o EQ11
o TS14 (400.9) o EQ11
o TS15 (770.4) o EQ13
o TS16 (571.3) o EQ17
o TS17 (496.2) o EQ19
o TS18 (358.6) o EQ22
o TS19 (446.1) o EQ22
o TS20 (368.5) o EQ24
o TS21 (437.8) o EQ24
o TS22 (764.2) o EQ26
o TS23 (375.1) o EQ28
o TS24 (380.3) o EQ31
o TS25 (536.3) o EQ32
o TS26 (541.2) o EQ32
o TS27 (549.6) o EQ32
o TS28 (536.5) o EQ35
o TS29 (565.1) o EQ45
o TS30 (692.1) o EQ47
o TS31 (636.1) o EQ61
o TS32 (449.8) o DDC0
o UDC0 o
o UDC1 o
o UDC2 o
o UDC3 o
Cs ENERGY= 90.1 kJ/mol ( -170.7972272 Hartree)
Energy+ZPE= 88.5 kJ/mol ZPE= 0.0503767
CONNECTIONS:
o TS2 (250.9) o EQ0
o TS33 (512.7) o EQ1
o TS34 (523.1) o EQ1
o TS35 (415.1) o EQ6
o TS36 (478.2) o EQ8
o TS37 (519.3) o EQ8
o TS38 (441.4) o EQ9
o TS39 (465.6) o EQ9
o TS40 (574.0) o EQ9
o TS41 (548.3) o EQ13
o TS42 (394.2) o EQ15
o TS43 (540.6) o EQ15
o TS44 (559.8) o EQ16
o TS45 (577.1) o EQ16
o TS46 (395.3) o EQ28
o TS47 (652.8) o EQ30
o TS48 (504.9) o EQ31
o TS49 (630.3) o EQ31
o TS50 (636.5) o EQ42
o TS51 (436.2) o EQ45
o TS52 (447.3) o EQ46
o TS53 (502.9) o EQ46
o TS54 (490.4) o EQ49
o TS55 (675.6) o EQ50
o TS56 (681.5) o EQ59
o TS57 (807.2) o EQ69
o TS58 (493.5) o DDC1
o TS59 (525.7) o DDC2
o TS60 (542.5) o DDC3
o TS61 (552.5) o DDC4
o TS62 (654.8) o DDC5
o UDC4 o
o UDC5 o
o UDC6 o
Cs ENERGY= 151.3 kJ/mol ( -170.7739292 Hartree)
Energy+ZPE= 146.3 kJ/mol ZPE= 0.0490823
CONNECTIONS:
o TS3 (433.4) o EQ0
o TS4 (466.1) o EQ0
o TS5 (660.3) o EQ0
o TS63 (225.3) o EQ2
o TS64 (469.8) o EQ2
o TS65 (473.0) o EQ2
o TS66 (524.0) o EQ3
o TS67 (529.8) o EQ4
o TS68 (512.9) o EQ7
o TS69 (518.7) o EQ7
o TS70 (520.5) o EQ12
o TS71 (494.9) o EQ17
o TS72 (471.6) o EQ19
o TS73 (473.6) o EQ19
o TS74 (475.7) o EQ19
o TS75 (528.6) o EQ19
o TS76 (532.0) o EQ19
o TS77 (866.7) o EQ19
o TS78 (490.7) o EQ20
o TS79 (496.7) o EQ20
o TS80 (523.8) o EQ20
o TS81 (485.8) o EQ47
o TS82 (549.0) o EQ55
o TS83 (539.1) o DDC6
o TS84 (540.6) o DDC7
o TS85 (627.9) o DDC8
o UDC7 o
o UDC8 o
o UDC9 o
o UDC10 o
o UDC11 o
Cs ENERGY= 153.5 kJ/mol ( -170.7730932 Hartree)
Energy+ZPE= 151.2 kJ/mol ZPE= 0.0500883
CONNECTIONS:
o TS6 (652.2) o EQ0
o TS66 (524.0) o EQ2
o TS86 (282.7) o EQ4
o TS87 (536.6) o EQ6
o TS88 (617.5) o EQ10
o TS89 (499.4) o EQ12
o TS90 (612.2) o EQ14
o TS91 (476.1) o EQ17
o TS92 (461.7) o EQ20
o TS93 (359.0) o EQ21
o TS94 (357.6) o EQ23
o TS95 (385.2) o EQ23
o TS96 (687.5) o EQ27
o TS97 (573.1) o EQ30
o TS98 (461.0) o EQ44
o TS99 (575.1) o EQ54
o TS100 (578.1) o EQ54
o TS101 (754.5) o EQ68
o TS102 (536.9) o DDC9
o UDC12 o
o UDC13 o
o UDC14 o
Cs ENERGY= 158.4 kJ/mol ( -170.7712094 Hartree)
Energy+ZPE= 156.3 kJ/mol ZPE= 0.0501562
CONNECTIONS:
o TS7 (578.1) o EQ0
o TS67 (529.8) o EQ2
o TS86 (282.7) o EQ3
o TS103 (554.8) o EQ4
o TS104 (655.1) o EQ6
o TS105 (462.4) o EQ7
o TS106 (683.7) o EQ7
o TS107 (695.8) o EQ7
o TS108 (709.7) o EQ7
o TS109 (639.2) o EQ10
o TS110 (533.4) o EQ12
o TS111 (497.8) o EQ14
o TS112 (353.3) o EQ18
o TS113 (395.9) o EQ18
o TS114 (363.0) o EQ25
o TS115 (535.1) o EQ33
o TS116 (653.0) o EQ33
o TS117 (669.2) o EQ35
o TS118 (449.5) o EQ39
o TS119 (561.6) o EQ53
o TS120 (590.8) o EQ53
o TS121 (579.6) o EQ54
o TS122 (584.6) o EQ58
o TS123 (554.7) o DDC10
o UDC15 o
o UDC16 o
o UDC17 o
Cs ENERGY= 176.1 kJ/mol ( -170.7644598 Hartree)
Energy+ZPE= 171.1 kJ/mol ZPE= 0.0490542
CONNECTIONS:
o TS8 (400.9) o EQ0
o TS9 (405.7) o EQ0
o TS124 (237.9) o EQ5
o TS125 (393.7) o EQ26
o TS126 (415.3) o EQ26
o TS127 (482.4) o EQ26
o TS128 (563.3) o EQ30
o TS129 (497.5) o EQ31
o TS130 (609.1) o EQ33
o TS131 (388.6) o EQ34
o TS132 (395.8) o EQ34
o TS133 (482.7) o EQ34
o TS134 (618.6) o EQ36
o TS135 (666.8) o EQ37
o TS136 (609.0) o EQ41
o TS137 (796.4) o EQ58
o TS138 (586.6) o DDC11
o TS139 (639.2) o DDC12
o UDC18 o
o UDC19 o
Cs ENERGY= 205.0 kJ/mol ( -170.7534651 Hartree)
Energy+ZPE= 201.2 kJ/mol ZPE= 0.0495198
CONNECTIONS:
o TS10 (419.2) o EQ0
o TS11 (579.7) o EQ0
o TS35 (415.1) o EQ1
o TS87 (536.6) o EQ3
o TS104 (655.1) o EQ4
o TS140 (484.2) o EQ6
o TS141 (532.4) o EQ6
o TS142 (421.9) o EQ9
o TS143 (508.2) o EQ19
o TS144 (449.6) o EQ32
o TS145 (596.6) o EQ32
o TS146 (539.5) o EQ48
o TS147 (640.9) o EQ61
o TS148 (388.3) o DDC13
o TS149 (536.1) o DDC14
o TS150 (635.9) o DDC15
o UDC20 o
o UDC21 o
o UDC22 o
Cs ENERGY= 205.1 kJ/mol ( -170.7534378 Hartree)
Energy+ZPE= 202.7 kJ/mol ZPE= 0.0500700
CONNECTIONS:
o TS12 (476.8) o EQ0
o TS68 (512.9) o EQ2
o TS69 (518.7) o EQ2
o TS105 (462.4) o EQ4
o TS106 (683.7) o EQ4
o TS107 (695.8) o EQ4
o TS108 (709.7) o EQ4
o TS151 (312.6) o EQ7
o TS152 (548.8) o EQ10
o TS153 (606.6) o EQ13
o TS154 (350.4) o EQ17
o TS155 (354.7) o EQ17
o TS156 (472.5) o EQ17
o TS157 (473.9) o EQ17
o TS158 (344.4) o EQ20
o TS159 (352.8) o EQ20
o TS160 (546.4) o EQ27
o TS161 (685.2) o EQ30
o UDC23 o
o UDC24 o
o UDC25 o
Cs ENERGY= 261.5 kJ/mol ( -170.7319417 Hartree)
Energy+ZPE= 256.4 kJ/mol ZPE= 0.0490389
CONNECTIONS:
o TS36 (478.2) o EQ1
o TS37 (519.3) o EQ1
o TS162 (262.6) o EQ8
o TS163 (552.7) o EQ8
o TS164 (770.0) o EQ8
o TS165 (487.5) o EQ11
o TS166 (518.9) o EQ11
o TS167 (637.7) o EQ11
o TS168 (447.9) o EQ15
o TS169 (448.9) o EQ15
o TS170 (476.0) o EQ15
o TS171 (672.1) o EQ43
o TS172 (599.2) o DDC16
o TS173 (607.1) o DDC17
o UDC26 o
Cs ENERGY= 262.0 kJ/mol ( -170.7317425 Hartree)
Energy+ZPE= 252.4 kJ/mol ZPE= 0.0473316
CONNECTIONS:
o TS38 (441.4) o EQ1
o TS39 (465.6) o EQ1
o TS40 (574.0) o EQ1
o TS142 (421.9) o EQ6
o TS174 (307.0) o EQ9
o TS175 (425.5) o EQ9
o TS176 (820.3) o EQ30
o TS177 (572.9) o EQ41
o TS178 (579.7) o EQ59
o TS179 (580.2) o EQ61
o TS180 (388.5) o DDC18
o TS181 (545.0) o DDC19
o TS182 (557.6) o DDC20
o UDC27 o
Cs ENERGY= 269.7 kJ/mol ( -170.7288469 Hartree)
Energy+ZPE= 268.0 kJ/mol ZPE= 0.0503390
CONNECTIONS:
o TS88 (617.5) o EQ3
o TS109 (639.2) o EQ4
o TS152 (548.8) o EQ7
o TS183 (346.9) o EQ10
o TS184 (355.7) o EQ10
o TS185 (458.3) o EQ10
o TS186 (485.1) o EQ12
o TS187 (487.8) o EQ12
o TS188 (495.4) o EQ12
o TS189 (496.7) o EQ12
o TS190 (527.5) o EQ12
o TS191 (657.1) o EQ12
o TS192 (535.8) o EQ14
o TS193 (631.7) o EQ17
o TS194 (923.6) o EQ30
o TS195 (547.1) o EQ51
o TS196 (738.5) o EQ64
o TS197 (643.1) o EQ65
o TS198 (646.9) o EQ65
o TS199 (635.8) o DDC21
o TS200 (656.0) o DDC22
o TS201 (787.0) o DDC23
o UDC28 o
o UDC29 o
[ EQ11 ] C1 ENERGY= 271.9 kJ/mol ( -170.7279845 Hartree)
Energy+ZPE= 262.8 kJ/mol ZPE= 0.0475159
CONNECTIONS:
o TS13 (312.6) o EQ0
o TS14 (400.9) o EQ0
o TS165 (487.5) o EQ8
o TS166 (518.9) o EQ8
o TS167 (637.7) o EQ8
o TS202 (273.7) o EQ11
o TS203 (274.3) o EQ11
o TS204 (323.4) o EQ11
o TS205 (695.7) o EQ37
o TS206 (449.3) o DDC24
o TS207 (465.8) o DDC25
[ EQ12 ] Cs ENERGY= 278.1 kJ/mol ( -170.7256161 Hartree)
Energy+ZPE= 273.9 kJ/mol ZPE= 0.0493878
CONNECTIONS:
o TS70 (520.5) o EQ2
o TS89 (499.4) o EQ3
o TS110 (533.4) o EQ4
o TS186 (485.1) o EQ10
o TS187 (487.8) o EQ10
o TS188 (495.4) o EQ10
o TS189 (496.7) o EQ10
o TS190 (527.5) o EQ10
o TS191 (657.1) o EQ10
o TS208 (339.6) o EQ12
o TS209 (466.1) o EQ12
o TS210 (480.2) o EQ12
o TS211 (608.7) o EQ14
o TS212 (700.1) o EQ14
o TS213 (693.4) o EQ21
o TS214 (708.4) o EQ63
o TS215 (616.7) o EQ65
o TS216 (700.7) o EQ68
o TS217 (597.2) o DDC26
o UDC30 o
o UDC31 o
[ EQ13 ] Cs ENERGY= 288.2 kJ/mol ( -170.7217933 Hartree)
Energy+ZPE= 285.5 kJ/mol ZPE= 0.0499512
CONNECTIONS:
o TS15 (770.4) o EQ0
o TS41 (548.3) o EQ1
o TS153 (606.6) o EQ7
o TS218 (333.9) o EQ16
o TS219 (504.4) o EQ16
o TS220 (511.0) o EQ23
o TS221 (563.3) o EQ32
o TS222 (584.8) o EQ38
o TS223 (491.7) o EQ41
o TS224 (433.2) o EQ42
o TS225 (773.8) o EQ57
o TS226 (522.1) o DDC27
o TS227 (655.1) o DDC28
o UDC32 o
o UDC33 o
o UDC34 o
[ EQ14 ] Cs ENERGY= 293.9 kJ/mol ( -170.7196132 Hartree)
Energy+ZPE= 293.5 kJ/mol ZPE= 0.0508095
CONNECTIONS:
o TS90 (612.2) o EQ3
o TS111 (497.8) o EQ4
o TS192 (535.8) o EQ10
o TS211 (608.7) o EQ12
o TS212 (700.1) o EQ12
o TS228 (398.7) o EQ14
o TS229 (749.2) o EQ44
o TS230 (683.0) o EQ47
o TS231 (826.7) o EQ51
o TS232 (703.7) o EQ63
o TS233 (681.5) o EQ68
o TS234 (713.0) o EQ68
o TS235 (716.8) o EQ68
o TS236 (707.9) o DDC29
o TS237 (719.6) o DDC30
o TS238 (739.8) o DDC31
o UDC35 o
o UDC36 o
o UDC37 o
[ EQ15 ] C1 ENERGY= 325.0 kJ/mol ( -170.7077705 Hartree)
Energy+ZPE= 315.1 kJ/mol ZPE= 0.0472072
CONNECTIONS:
o TS42 (394.2) o EQ1
o TS43 (540.6) o EQ1
o TS168 (447.9) o EQ8
o TS169 (448.9) o EQ8
o TS170 (476.0) o EQ8
o TS239 (325.1) o EQ15
o TS240 (328.2) o EQ15
o TS241 (449.6) o EQ15
o TS242 (806.6) o EQ43
o TS243 (834.7) o EQ43
o TS244 (795.0) o EQ69
o TS245 (546.1) o DDC32
o TS246 (580.8) o DDC33
o UDC38 o
[ EQ16 ] Cs ENERGY= 325.7 kJ/mol ( -170.7074829 Hartree)
Energy+ZPE= 321.4 kJ/mol ZPE= 0.0493375
CONNECTIONS:
o TS44 (559.8) o EQ1
o TS45 (577.1) o EQ1
o TS218 (333.9) o EQ13
o TS219 (504.4) o EQ13
o TS247 (549.9) o EQ27
o TS248 (574.6) o EQ29
o TS249 (589.1) o EQ29
o TS250 (466.2) o EQ48
o TS251 (480.2) o DDC34
o TS252 (550.7) o DDC35
o UDC39 o
[ EQ17 ] C1 ENERGY= 338.7 kJ/mol ( -170.7025307 Hartree)
Energy+ZPE= 327.7 kJ/mol ZPE= 0.0467981
CONNECTIONS:
o TS16 (571.3) o EQ0
o TS71 (494.9) o EQ2
o TS91 (476.1) o EQ3
o TS154 (350.4) o EQ7
o TS155 (354.7) o EQ7
o TS156 (472.5) o EQ7
o TS157 (473.9) o EQ7
o TS193 (631.7) o EQ10
o TS253 (340.4) o EQ17
o TS254 (346.3) o EQ17
o TS255 (416.0) o EQ18
o TS256 (505.8) o EQ27
o TS257 (525.1) o EQ35
o TS258 (388.4) o DDC36
o TS259 (536.3) o DDC37
o UDC40 o
[ EQ18 ] Cs ENERGY= 341.3 kJ/mol ( -170.7015685 Hartree)
Energy+ZPE= 333.7 kJ/mol ZPE= 0.0480647
CONNECTIONS:
o TS112 (353.3) o EQ4
o TS113 (395.9) o EQ4
o TS255 (416.0) o EQ17
o TS260 (733.5) o EQ18
o TS261 (457.6) o EQ21
o TS262 (367.4) o EQ25
o TS263 (690.5) o EQ47
o UDC41 o
o UDC42 o
[ EQ19 ] Cs ENERGY= 341.8 kJ/mol ( -170.7013803 Hartree)
Energy+ZPE= 335.5 kJ/mol ZPE= 0.0485619
CONNECTIONS:
o TS17 (496.2) o EQ0
o TS72 (471.6) o EQ2
o TS73 (473.6) o EQ2
o TS74 (475.7) o EQ2
o TS75 (528.6) o EQ2
o TS76 (532.0) o EQ2
o TS77 (866.7) o EQ2
o TS143 (508.2) o EQ6
o TS264 (627.9) o EQ19
o TS265 (537.3) o EQ52
o TS266 (500.8) o DDC38
o TS267 (671.1) o DDC39
o TS268 (773.5) o DDC40
o UDC43 o
o UDC44 o
o UDC45 o
[ EQ20 ] C1 ENERGY= 344.4 kJ/mol ( -170.7003914 Hartree)
Energy+ZPE= 332.8 kJ/mol ZPE= 0.0465579
CONNECTIONS:
o TS78 (490.7) o EQ2
o TS79 (496.7) o EQ2
o TS80 (523.8) o EQ2
o TS92 (461.7) o EQ3
o TS158 (344.4) o EQ7
o TS159 (352.8) o EQ7
o TS269 (570.6) o DDC41
[ EQ21 ] Cs ENERGY= 344.4 kJ/mol ( -170.7003656 Hartree)
Energy+ZPE= 337.1 kJ/mol ZPE= 0.0481843
CONNECTIONS:
o TS93 (359.0) o EQ3
o TS213 (693.4) o EQ12
o TS261 (457.6) o EQ18
o TS270 (359.6) o EQ23
o TS271 (716.4) o DDC42
o UDC46 o
o UDC47 o
o UDC48 o
[ EQ22 ] C1 ENERGY= 346.9 kJ/mol ( -170.6994240 Hartree)
Energy+ZPE= 335.5 kJ/mol ZPE= 0.0466191
CONNECTIONS:
o TS18 (358.6) o EQ0
o TS19 (446.1) o EQ0
o TS272 (348.5) o EQ22
o TS273 (366.4) o EQ28
o TS274 (519.4) o DDC43
o TS275 (529.5) o DDC44
o TS276 (540.5) o DDC45
o UDC49 o
[ EQ23 ] Cs ENERGY= 352.5 kJ/mol ( -170.6973021 Hartree)
Energy+ZPE= 342.8 kJ/mol ZPE= 0.0472824
CONNECTIONS:
o TS94 (357.6) o EQ3
o TS95 (385.2) o EQ3
o TS220 (511.0) o EQ13
o TS270 (359.6) o EQ21
o TS277 (416.7) o EQ35
o TS278 (552.6) o DDC46
o UDC50 o
o UDC51 o
[ EQ24 ] C1 ENERGY= 352.5 kJ/mol ( -170.6972977 Hartree)
Energy+ZPE= 340.6 kJ/mol ZPE= 0.0464548
CONNECTIONS:
o TS20 (368.5) o EQ0
o TS21 (437.8) o EQ0
o TS279 (353.7) o EQ24
o TS280 (371.9) o EQ28
o TS281 (600.7) o EQ46
o TS282 (514.5) o DDC47
o TS283 (544.3) o DDC48
o UDC52 o
[ EQ25 ] Cs ENERGY= 353.3 kJ/mol ( -170.6969876 Hartree)
Energy+ZPE= 345.0 kJ/mol ZPE= 0.0478286
CONNECTIONS:
o TS114 (363.0) o EQ4
o TS262 (367.4) o EQ18
o TS284 (393.4) o EQ27
o TS285 (574.4) o EQ33
o TS286 (788.6) o DDC49
o UDC53 o
o UDC54 o
[ EQ26 ] Cs ENERGY= 359.6 kJ/mol ( -170.6945798 Hartree)
Energy+ZPE= 353.9 kJ/mol ZPE= 0.0487971
CONNECTIONS:
o TS22 (764.2) o EQ0
o TS125 (393.7) o EQ5
o TS126 (415.3) o EQ5
o TS127 (482.4) o EQ5
o TS287 (591.1) o EQ26
o TS288 (773.9) o EQ43
o TS289 (711.1) o EQ59
o TS290 (668.1) o EQ61
o UDC55 o
o UDC56 o
[ EQ27 ] C1 ENERGY= 360.6 kJ/mol ( -170.6942123 Hartree)
Energy+ZPE= 358.3 kJ/mol ZPE= 0.0500910
CONNECTIONS:
o TS96 (687.5) o EQ3
o TS160 (546.4) o EQ7
o TS247 (549.9) o EQ16
o TS256 (505.8) o EQ17
o TS284 (393.4) o EQ25
o TS291 (418.3) o EQ27
o TS292 (565.4) o EQ33
o TS293 (424.9) o EQ35
o TS294 (628.4) o EQ39
o TS295 (607.4) o EQ44
o TS296 (643.8) o EQ47
o TS297 (648.4) o EQ50
o TS298 (622.5) o EQ57
o TS299 (638.5) o EQ66
o TS300 (651.4) o EQ66
o TS301 (664.8) o EQ66
o TS302 (571.3) o DDC50
o TS303 (579.5) o DDC51
o TS304 (681.3) o DDC52
o TS305 (688.4) o DDC53
o UDC57 o
o UDC58 o
o UDC59 o
[ EQ28 ] C1 ENERGY= 366.3 kJ/mol ( -170.6920470 Hartree)
Energy+ZPE= 356.3 kJ/mol ZPE= 0.0471804
CONNECTIONS:
o TS23 (375.1) o EQ0
o TS46 (395.3) o EQ1
o TS273 (366.4) o EQ22
o TS280 (371.9) o EQ24
o UDC60 o
[ EQ29 ] C3v ENERGY= 372.8 kJ/mol ( -170.6895734 Hartree)
Energy+ZPE= 367.7 kJ/mol ZPE= 0.0490314
CONNECTIONS:
o TS248 (574.6) o EQ16
o TS249 (589.1) o EQ16
o TS306 (540.2) o EQ31
o TS307 (522.8) o EQ44
o TS308 (535.6) o DDC54
o TS309 (542.2) o DDC55
o UDC61 o
[ EQ30 ] Cs ENERGY= 372.8 kJ/mol ( -170.6895517 Hartree)
Energy+ZPE= 367.4 kJ/mol ZPE= 0.0489060
CONNECTIONS:
o TS47 (652.8) o EQ1
o TS97 (573.1) o EQ3
o TS128 (563.3) o EQ5
o TS161 (685.2) o EQ7
o TS176 (820.3) o EQ9
o TS194 (923.6) o EQ10
o TS310 (949.3) o EQ30
o TS311 (557.4) o EQ33
o TS312 (590.8) o EQ33
o TS313 (544.7) o EQ35
o TS314 (891.5) o EQ36
o TS315 (665.2) o EQ41
o TS316 (578.6) o EQ57
o TS317 (605.5) o EQ57
o TS318 (601.8) o DDC56
o TS319 (602.8) o DDC57
o TS320 (670.0) o DDC58
o TS321 (689.3) o DDC59
o UDC62 o
o UDC63 o
o UDC64 o
[ EQ31 ] C1 ENERGY= 376.7 kJ/mol ( -170.6880820 Hartree)
Energy+ZPE= 373.3 kJ/mol ZPE= 0.0496789
CONNECTIONS:
o TS24 (380.3) o EQ0
o TS48 (504.9) o EQ1
o TS49 (630.3) o EQ1
o TS129 (497.5) o EQ5
o TS306 (540.2) o EQ29
o TS322 (529.6) o EQ32
o TS323 (654.4) o EQ32
o TS324 (696.3) o EQ47
o TS325 (468.9) o EQ49
o TS326 (660.3) o EQ67
o TS327 (768.6) o DDC60
o UDC65 o
o UDC66 o
o UDC67 o
[ EQ32 ] C1 ENERGY= 379.7 kJ/mol ( -170.6869181 Hartree)
Energy+ZPE= 378.3 kJ/mol ZPE= 0.0504358
CONNECTIONS:
o TS25 (536.3) o EQ0
o TS26 (541.2) o EQ0
o TS27 (549.6) o EQ0
o TS144 (449.6) o EQ6
o TS145 (596.6) o EQ6
o TS221 (563.3) o EQ13
o TS322 (529.6) o EQ31
o TS323 (654.4) o EQ31
o TS328 (452.4) o EQ32
o TS329 (684.9) o EQ32
o TS330 (421.8) o EQ34
o TS331 (625.0) o EQ54
o TS332 (645.4) o EQ59
o UDC68 o
o UDC69 o
[ EQ33 ] Cs ENERGY= 381.2 kJ/mol ( -170.6863509 Hartree)
Energy+ZPE= 374.7 kJ/mol ZPE= 0.0484913
CONNECTIONS:
o TS115 (535.1) o EQ4
o TS116 (653.0) o EQ4
o TS130 (609.1) o EQ5
o TS285 (574.4) o EQ25
o TS292 (565.4) o EQ27
o TS311 (557.4) o EQ30
o TS312 (590.8) o EQ30
o TS333 (635.5) o EQ41
o TS334 (583.3) o EQ58
o UDC70 o
o UDC71 o
o UDC72 o
[ EQ34 ] C1 ENERGY= 386.5 kJ/mol ( -170.6843554 Hartree)
Energy+ZPE= 377.8 kJ/mol ZPE= 0.0476686
CONNECTIONS:
o TS131 (388.6) o EQ5
o TS132 (395.8) o EQ5
o TS133 (482.7) o EQ5
o TS330 (421.8) o EQ32
o TS335 (573.1) o DDC61
o UDC73 o
[ EQ35 ] C1 ENERGY= 403.0 kJ/mol ( -170.6780573 Hartree)
Energy+ZPE= 399.9 kJ/mol ZPE= 0.0498038
CONNECTIONS:
o TS28 (536.5) o EQ0
o TS117 (669.2) o EQ4
o TS257 (525.1) o EQ17
o TS277 (416.7) o EQ23
o TS293 (424.9) o EQ27
o TS313 (544.7) o EQ30
o TS336 (661.6) o EQ44
o TS337 (642.1) o EQ50
o TS338 (735.0) o EQ51
o TS339 (584.5) o EQ60
o UDC74 o
o UDC75 o
o UDC76 o
[ EQ36 ] Cs ENERGY= 408.4 kJ/mol ( -170.6760063 Hartree)
Energy+ZPE= 407.2 kJ/mol ZPE= 0.0505127
CONNECTIONS:
o TS134 (618.6) o EQ5
o TS314 (891.5) o EQ30
o TS340 (618.8) o EQ36
o TS341 (635.7) o EQ37
o TS342 (557.9) o EQ47
o TS343 (584.6) o EQ47
o TS344 (661.9) o EQ58
o TS345 (856.1) o EQ68
o TS346 (883.8) o EQ68
o TS347 (891.1) o DDC62
o UDC77 o
o UDC78 o
o UDC79 o
o UDC80 o
[ EQ37 ] Cs ENERGY= 415.9 kJ/mol ( -170.6731563 Hartree)
Energy+ZPE= 409.6 kJ/mol ZPE= 0.0485820
CONNECTIONS:
o TS135 (666.8) o EQ5
o TS205 (695.7) o EQ11
o TS341 (635.7) o EQ36
o TS348 (422.7) o EQ37
o TS349 (493.7) o EQ37
o TS350 (600.6) o EQ43
o TS351 (645.6) o EQ43
o TS352 (849.4) o EQ43
o TS353 (705.0) o DDC63
o UDC81 o
[ EQ38 ] Cs ENERGY= 417.1 kJ/mol ( -170.6726701 Hartree)
Energy+ZPE= 403.1 kJ/mol ZPE= 0.0456457
CONNECTIONS:
o TS222 (584.8) o EQ13
o TS354 (577.2) o EQ41
o TS355 (695.3) o EQ56
o TS356 (645.3) o EQ58
o TS357 (418.8) o DDC64
o UDC82 o
o UDC83 o
[ EQ39 ] Cs ENERGY= 420.2 kJ/mol ( -170.6715098 Hartree)
Energy+ZPE= 417.5 kJ/mol ZPE= 0.0499274
CONNECTIONS:
o TS118 (449.5) o EQ4
o TS294 (628.4) o EQ27
o TS358 (516.2) o EQ44
o TS359 (525.2) o EQ44
o TS360 (582.2) o EQ60
o UDC84 o
o UDC85 o
[ EQ40 ] C2v ENERGY= 420.8 kJ/mol ( -170.6712754 Hartree)
Energy+ZPE= 397.9 kJ/mol ZPE= 0.0422519
CONNECTIONS:
o TS361 (447.2) o DDC65
o UDC86 o
[ EQ41 ] Cs ENERGY= 421.4 kJ/mol ( -170.6710393 Hartree)
Energy+ZPE= 407.6 kJ/mol ZPE= 0.0457312
CONNECTIONS:
o TS136 (609.0) o EQ5
o TS177 (572.9) o EQ9
o TS223 (491.7) o EQ13
o TS315 (665.2) o EQ30
o TS333 (635.5) o EQ33
o TS354 (577.2) o EQ38
o TS362 (541.0) o EQ41
o TS363 (855.2) o EQ41
o TS364 (740.4) o EQ59
o TS365 (757.6) o EQ61
o TS366 (438.8) o DDC66
o TS367 (659.1) o DDC67
o UDC87 o
o UDC88 o
[ EQ42 ] Cs ENERGY= 428.2 kJ/mol ( -170.6684450 Hartree)
Energy+ZPE= 421.2 kJ/mol ZPE= 0.0483134
CONNECTIONS:
o TS50 (636.5) o EQ1
o TS224 (433.2) o EQ13
o TS368 (735.0) o EQ66
o TS369 (605.6) o DDC68
[ EQ43 ] C1 ENERGY= 429.2 kJ/mol ( -170.6680875 Hartree)
Energy+ZPE= 423.9 kJ/mol ZPE= 0.0489391
CONNECTIONS:
o TS171 (672.1) o EQ8
o TS242 (806.6) o EQ15
o TS243 (834.7) o EQ15
o TS288 (773.9) o EQ26
o TS350 (600.6) o EQ37
o TS351 (645.6) o EQ37
o TS352 (849.4) o EQ37
o TS370 (429.2) o EQ43
o TS371 (875.3) o EQ49
o TS372 (795.5) o EQ69
o TS373 (828.9) o DDC69
o UDC89 o
o UDC90 o
[ EQ44 ] Cs ENERGY= 432.0 kJ/mol ( -170.6670202 Hartree)
Energy+ZPE= 430.8 kJ/mol ZPE= 0.0505122
CONNECTIONS:
o TS98 (461.0) o EQ3
o TS229 (749.2) o EQ14
o TS295 (607.4) o EQ27
o TS307 (522.8) o EQ29
o TS336 (661.6) o EQ35
o TS358 (516.2) o EQ39
o TS359 (525.2) o EQ39
o TS374 (697.9) o EQ58
o TS375 (734.6) o EQ58
o TS376 (582.1) o EQ62
o TS377 (660.8) o EQ67
o UDC91 o
o UDC92 o
[ EQ45 ] C1 ENERGY= 432.9 kJ/mol ( -170.6666605 Hartree)
Energy+ZPE= 419.7 kJ/mol ZPE= 0.0459534
CONNECTIONS:
o TS29 (565.1) o EQ0
o TS51 (436.2) o EQ1
o TS378 (433.5) o EQ45
o TS379 (468.0) o EQ49
o TS380 (576.4) o DDC70
o TS381 (617.1) o DDC71
o UDC93 o
[ EQ46 ] C1 ENERGY= 438.8 kJ/mol ( -170.6644160 Hartree)
Energy+ZPE= 425.2 kJ/mol ZPE= 0.0458066
CONNECTIONS:
o TS52 (447.3) o EQ1
o TS53 (502.9) o EQ1
o TS281 (600.7) o EQ24
o TS382 (476.0) o EQ49
o TS383 (611.5) o DDC72
o UDC94 o
[ EQ47 ] C1 ENERGY= 444.3 kJ/mol ( -170.6623333 Hartree)
Energy+ZPE= 440.9 kJ/mol ZPE= 0.0496942
CONNECTIONS:
o TS30 (692.1) o EQ0
o TS81 (485.8) o EQ2
o TS230 (683.0) o EQ14
o TS263 (690.5) o EQ18
o TS296 (643.8) o EQ27
o TS324 (696.3) o EQ31
o TS342 (557.9) o EQ36
o TS343 (584.6) o EQ36
o TS384 (510.6) o EQ47
o TS385 (586.6) o EQ47
o TS386 (609.1) o EQ47
o TS387 (760.6) o EQ60
o TS388 (750.2) o EQ68
o TS389 (786.6) o EQ68
o TS390 (862.9) o DDC73
o UDC95 o
o UDC96 o
[ EQ48 ] C1 ENERGY= 465.9 kJ/mol ( -170.6540998 Hartree)
Energy+ZPE= 452.8 kJ/mol ZPE= 0.0459912
CONNECTIONS:
o TS146 (539.5) o EQ6
o TS250 (466.2) o EQ16
o TS391 (466.8) o DDC74
o TS392 (544.5) o DDC75
[ EQ49 ] C1 ENERGY= 467.0 kJ/mol ( -170.6536837 Hartree)
Energy+ZPE= 457.6 kJ/mol ZPE= 0.0473881
CONNECTIONS:
o TS54 (490.4) o EQ1
o TS325 (468.9) o EQ31
o TS371 (875.3) o EQ43
o TS379 (468.0) o EQ45
o TS382 (476.0) o EQ46
o UDC97 o
[ EQ50 ] Cs ENERGY= 472.2 kJ/mol ( -170.6516854 Hartree)
Energy+ZPE= 469.9 kJ/mol ZPE= 0.0500906
CONNECTIONS:
o TS55 (675.6) o EQ1
o TS297 (648.4) o EQ27
o TS337 (642.1) o EQ35
o TS393 (512.1) o EQ50
o TS394 (643.2) o EQ52
o TS395 (526.7) o DDC76
o TS396 (842.3) o DDC77
o UDC98 o
[ EQ51 ] Cs ENERGY= 535.2 kJ/mol ( -170.6276893 Hartree)
Energy+ZPE= 534.9 kJ/mol ZPE= 0.0508689
CONNECTIONS:
o TS195 (547.1) o EQ10
o TS231 (826.7) o EQ14
o TS338 (735.0) o EQ35
o TS397 (578.8) o EQ51
o TS398 (871.0) o DDC78
o UDC99 o
[ EQ52 ] Cs ENERGY= 535.4 kJ/mol ( -170.6276360 Hartree)
Energy+ZPE= 530.6 kJ/mol ZPE= 0.0491535
CONNECTIONS:
o TS265 (537.3) o EQ19
o TS394 (643.2) o EQ50
o TS399 (641.4) o EQ55
o UDC100 o
[ EQ53 ] Cs ENERGY= 543.6 kJ/mol ( -170.6245027 Hartree)
Energy+ZPE= 535.7 kJ/mol ZPE= 0.0479669
CONNECTIONS:
o TS119 (561.6) o EQ4
o TS120 (590.8) o EQ4
o TS400 (547.3) o EQ54
o TS401 (743.8) o EQ66
[ EQ54 ] C1 ENERGY= 547.0 kJ/mol ( -170.6232255 Hartree)
Energy+ZPE= 539.1 kJ/mol ZPE= 0.0479699
CONNECTIONS:
o TS99 (575.1) o EQ3
o TS100 (578.1) o EQ3
o TS121 (579.6) o EQ4
o TS331 (625.0) o EQ32
o TS400 (547.3) o EQ53
o TS402 (575.2) o EQ54
o TS403 (627.6) o EQ57
o TS404 (755.5) o DDC79
[ EQ55 ] Cs ENERGY= 548.7 kJ/mol ( -170.6225734 Hartree)
Energy+ZPE= 545.1 kJ/mol ZPE= 0.0496106
CONNECTIONS:
o TS82 (549.0) o EQ2
o TS399 (641.4) o EQ52
o UDC101 o
[ EQ56 ] Cs ENERGY= 560.8 kJ/mol ( -170.6179376 Hartree)
Energy+ZPE= 551.0 kJ/mol ZPE= 0.0472371
CONNECTIONS:
o TS355 (695.3) o EQ38
o TS405 (563.2) o EQ57
o TS406 (625.2) o DDC80
o TS407 (814.5) o DDC81
o UDC102 o
[ EQ57 ] C1 ENERGY= 562.1 kJ/mol ( -170.6174514 Hartree)
Energy+ZPE= 551.5 kJ/mol ZPE= 0.0469208
CONNECTIONS:
o TS225 (773.8) o EQ13
o TS298 (622.5) o EQ27
o TS316 (578.6) o EQ30
o TS317 (605.5) o EQ30
o TS403 (627.6) o EQ54
o TS405 (563.2) o EQ56
o TS408 (573.9) o EQ57
o TS409 (687.0) o EQ60
[ EQ58 ] Cs ENERGY= 563.3 kJ/mol ( -170.6169970 Hartree)
Energy+ZPE= 553.1 kJ/mol ZPE= 0.0470989
CONNECTIONS:
o TS122 (584.6) o EQ4
o TS137 (796.4) o EQ5
o TS334 (583.3) o EQ33
o TS344 (661.9) o EQ36
o TS356 (645.3) o EQ38
o TS374 (697.9) o EQ44
o TS375 (734.6) o EQ44
o TS410 (682.3) o EQ66
o TS411 (872.1) o DDC82
o UDC103 o
o UDC104 o
[ EQ59 ] C1 ENERGY= 575.2 kJ/mol ( -170.6124571 Hartree)
Energy+ZPE= 563.9 kJ/mol ZPE= 0.0466637
CONNECTIONS:
o TS56 (681.5) o EQ1
o TS178 (579.7) o EQ9
o TS289 (711.1) o EQ26
o TS332 (645.4) o EQ32
o TS364 (740.4) o EQ41
o TS412 (577.3) o EQ59
o TS413 (718.9) o DDC83
[ EQ60 ] C1 ENERGY= 577.3 kJ/mol ( -170.6116727 Hartree)
Energy+ZPE= 567.0 kJ/mol ZPE= 0.0470526
CONNECTIONS:
o TS339 (584.5) o EQ35
o TS360 (582.2) o EQ39
o TS387 (760.6) o EQ47
o TS409 (687.0) o EQ57
o TS414 (637.4) o EQ60
o TS415 (580.7) o EQ62
o TS416 (656.4) o EQ67
o TS417 (668.2) o DDC84
o TS418 (765.6) o DDC85
[ EQ61 ] Cs ENERGY= 577.9 kJ/mol ( -170.6114522 Hartree)
Energy+ZPE= 564.9 kJ/mol ZPE= 0.0460218
CONNECTIONS:
o TS31 (636.1) o EQ0
o TS147 (640.9) o EQ6
o TS179 (580.2) o EQ9
o TS290 (668.1) o EQ26
o TS365 (757.6) o EQ41
o TS419 (746.7) o DDC86
[ EQ62 ] Cs ENERGY= 579.2 kJ/mol ( -170.6109503 Hartree)
Energy+ZPE= 568.5 kJ/mol ZPE= 0.0468995
CONNECTIONS:
o TS376 (582.1) o EQ44
o TS415 (580.7) o EQ60
[ EQ63 ] Cs ENERGY= 580.5 kJ/mol ( -170.6104413 Hartree)
Energy+ZPE= 575.0 kJ/mol ZPE= 0.0488843
CONNECTIONS:
o TS214 (708.4) o EQ12
o TS232 (703.7) o EQ14
o TS420 (584.0) o EQ63
o TS421 (780.9) o DDC87
o UDC105 o
[ EQ64 ] Cs ENERGY= 611.9 kJ/mol ( -170.5984733 Hartree)
Energy+ZPE= 608.5 kJ/mol ZPE= 0.0496783
CONNECTIONS:
o TS196 (738.5) o EQ10
o TS422 (612.0) o EQ64
o TS423 (630.2) o DDC88
o TS424 (700.2) o DDC89
o TS425 (742.4) o DDC90
o TS426 (814.8) o DDC91
[ EQ65 ] C1 ENERGY= 615.3 kJ/mol ( -170.5972124 Hartree)
Energy+ZPE= 603.3 kJ/mol ZPE= 0.0463895
CONNECTIONS:
o TS197 (643.1) o EQ10
o TS198 (646.9) o EQ10
o TS215 (616.7) o EQ12
o UDC106 o
[ EQ66 ] C1 ENERGY= 638.1 kJ/mol ( -170.5885293 Hartree)
Energy+ZPE= 628.2 kJ/mol ZPE= 0.0472161
CONNECTIONS:
o TS299 (638.5) o EQ27
o TS300 (651.4) o EQ27
o TS301 (664.8) o EQ27
o TS368 (735.0) o EQ42
o TS401 (743.8) o EQ53
o TS410 (682.3) o EQ58
o UDC107 o
[ EQ67 ] C1 ENERGY= 653.6 kJ/mol ( -170.5826087 Hartree)
Energy+ZPE= 639.8 kJ/mol ZPE= 0.0457054
CONNECTIONS:
o TS326 (660.3) o EQ31
o TS377 (660.8) o EQ44
o TS416 (656.4) o EQ60
o TS427 (654.7) o DDC92
[ EQ68 ] C1 ENERGY= 659.8 kJ/mol ( -170.5802428 Hartree)
Energy+ZPE= 654.3 kJ/mol ZPE= 0.0488771
CONNECTIONS:
o TS101 (754.5) o EQ3
o TS216 (700.7) o EQ12
o TS233 (681.5) o EQ14
o TS234 (713.0) o EQ14
o TS235 (716.8) o EQ14
o TS345 (856.1) o EQ36
o TS346 (883.8) o EQ36
o TS388 (750.2) o EQ47
o TS389 (786.6) o EQ47
o TS428 (718.7) o EQ68
o UDC108 o
o UDC109 o
[ EQ69 ] Cs ENERGY= 784.3 kJ/mol ( -170.5328122 Hartree)
Energy+ZPE= 773.3 kJ/mol ZPE= 0.0467802
CONNECTIONS:
o TS57 (807.2) o EQ1
o TS244 (795.0) o EQ15
o TS372 (795.5) o EQ43
o TS429 (785.4) o EQ69
[ TS0 ] Animation Cs ENERGY= 377.5 kJ/mol
Energy+ZPE= 369.9 kJ/mol ZPE= 0.0480611
CONNECTIONS:
o EQ0 o EQ0
[ TS1 ] Animation Cs ENERGY= 516.0 kJ/mol
Energy+ZPE= 504.0 kJ/mol ZPE= 0.0464159
CONNECTIONS:
o EQ0 o EQ0
[ TS2 ] Animation C1 ENERGY= 250.9 kJ/mol
Energy+ZPE= 242.9 kJ/mol ZPE= 0.0479245
CONNECTIONS:
o EQ0 o EQ1
[ TS3 ] Animation Cs ENERGY= 433.4 kJ/mol
Energy+ZPE= 413.6 kJ/mol ZPE= 0.0434351
CONNECTIONS:
o EQ0 o EQ2
[ TS4 ] Animation Cs ENERGY= 466.1 kJ/mol
Energy+ZPE= 445.5 kJ/mol ZPE= 0.0431303
CONNECTIONS:
o EQ0 o EQ2
[ TS5 ] Animation C1 ENERGY= 660.3 kJ/mol
Energy+ZPE= 640.7 kJ/mol ZPE= 0.0434964
CONNECTIONS:
o EQ0 o EQ2
[ TS6 ] Animation C1 ENERGY= 652.2 kJ/mol
Energy+ZPE= 633.4 kJ/mol ZPE= 0.0437991
CONNECTIONS:
o EQ0 o EQ3
[ TS7 ] Animation C1 ENERGY= 578.1 kJ/mol
Energy+ZPE= 562.7 kJ/mol ZPE= 0.0450958
CONNECTIONS:
o EQ0 o EQ4
[ TS8 ] Animation C1 ENERGY= 400.9 kJ/mol
Energy+ZPE= 389.1 kJ/mol ZPE= 0.0464904
CONNECTIONS:
o EQ0 o EQ5
[ TS9 ] Animation C1 ENERGY= 405.7 kJ/mol
Energy+ZPE= 393.2 kJ/mol ZPE= 0.0461966
CONNECTIONS:
o EQ0 o EQ5
[ TS10 ] Animation C1 ENERGY= 419.2 kJ/mol
Energy+ZPE= 402.4 kJ/mol ZPE= 0.0445731
CONNECTIONS:
o EQ0 o EQ6
[ TS11 ] Animation C1 ENERGY= 579.7 kJ/mol
Energy+ZPE= 566.3 kJ/mol ZPE= 0.0458775
CONNECTIONS:
o EQ0 o EQ6
[ TS12 ] Animation Cs ENERGY= 476.8 kJ/mol
Energy+ZPE= 453.4 kJ/mol ZPE= 0.0420522
CONNECTIONS:
o EQ0 o EQ7
[ TS13 ] Animation C1 ENERGY= 312.6 kJ/mol
Energy+ZPE= 298.3 kJ/mol ZPE= 0.0455185
CONNECTIONS:
o EQ0 o EQ11
[ TS14 ] Animation C1 ENERGY= 400.9 kJ/mol
Energy+ZPE= 383.8 kJ/mol ZPE= 0.0444707
CONNECTIONS:
o EQ0 o EQ11
[ TS15 ] Animation C1 ENERGY= 770.4 kJ/mol
Energy+ZPE= 752.3 kJ/mol ZPE= 0.0440810
CONNECTIONS:
o EQ0 o EQ13
[ TS16 ] Animation Cs ENERGY= 571.3 kJ/mol
Energy+ZPE= 542.8 kJ/mol ZPE= 0.0401353
CONNECTIONS:
o EQ0 o EQ17
[ TS17 ] Animation Cs ENERGY= 496.2 kJ/mol
Energy+ZPE= 477.3 kJ/mol ZPE= 0.0437660
CONNECTIONS:
o EQ0 o EQ19
[ TS18 ] Animation C1 ENERGY= 358.6 kJ/mol
Energy+ZPE= 343.6 kJ/mol ZPE= 0.0452740
CONNECTIONS:
o EQ0 o EQ22
[ TS19 ] Animation C1 ENERGY= 446.1 kJ/mol
Energy+ZPE= 426.9 kJ/mol ZPE= 0.0436763
CONNECTIONS:
o EQ0 o EQ22
[ TS20 ] Animation C1 ENERGY= 368.5 kJ/mol
Energy+ZPE= 352.9 kJ/mol ZPE= 0.0450371
CONNECTIONS:
o EQ0 o EQ24
[ TS21 ] Animation C1 ENERGY= 437.8 kJ/mol
Energy+ZPE= 419.3 kJ/mol ZPE= 0.0439240
CONNECTIONS:
o EQ0 o EQ24
[ TS22 ] Animation C1 ENERGY= 764.2 kJ/mol
Energy+ZPE= 740.6 kJ/mol ZPE= 0.0419895
CONNECTIONS:
o EQ0 o EQ26
[ TS23 ] Animation C1 ENERGY= 375.1 kJ/mol
Energy+ZPE= 364.9 kJ/mol ZPE= 0.0470886
CONNECTIONS:
o EQ0 o EQ28
[ TS24 ] Animation C1 ENERGY= 380.3 kJ/mol
Energy+ZPE= 374.2 kJ/mol ZPE= 0.0486617
CONNECTIONS:
o EQ0 o EQ31
[ TS25 ] Animation Cs ENERGY= 536.3 kJ/mol
Energy+ZPE= 523.7 kJ/mol ZPE= 0.0461598
CONNECTIONS:
o EQ0 o EQ32
[ TS26 ] Animation C1 ENERGY= 541.2 kJ/mol
Energy+ZPE= 528.7 kJ/mol ZPE= 0.0461966
CONNECTIONS:
o EQ0 o EQ32
[ TS27 ] Animation C1 ENERGY= 549.6 kJ/mol
Energy+ZPE= 537.9 kJ/mol ZPE= 0.0465370
CONNECTIONS:
o EQ0 o EQ32
[ TS28 ] Animation C1 ENERGY= 536.5 kJ/mol
Energy+ZPE= 519.1 kJ/mol ZPE= 0.0443595
CONNECTIONS:
o EQ0 o EQ35
[ TS29 ] Animation C1 ENERGY= 565.1 kJ/mol
Energy+ZPE= 544.7 kJ/mol ZPE= 0.0432137
CONNECTIONS:
o EQ0 o EQ45
[ TS30 ] Animation C1 ENERGY= 692.1 kJ/mol
Energy+ZPE= 673.4 kJ/mol ZPE= 0.0438527
CONNECTIONS:
o EQ0 o EQ47
[ TS31 ] Animation C1 ENERGY= 636.1 kJ/mol
Energy+ZPE= 623.5 kJ/mol ZPE= 0.0461789
CONNECTIONS:
o EQ0 o EQ61
[ TS32 ] Animation Cs ENERGY= 449.8 kJ/mol
Energy+ZPE= 421.1 kJ/mol ZPE= 0.0400429
CONNECTIONS:
o EQ0 o DDC0
[ TS33 ] Animation C1 ENERGY= 512.7 kJ/mol
Energy+ZPE= 491.3 kJ/mol ZPE= 0.0428219
CONNECTIONS:
o EQ1 o EQ1
[ TS34 ] Animation C1 ENERGY= 523.1 kJ/mol
Energy+ZPE= 510.9 kJ/mol ZPE= 0.0463325
CONNECTIONS:
o EQ1 o EQ1
[ TS35 ] Animation Cs ENERGY= 415.1 kJ/mol
Energy+ZPE= 398.7 kJ/mol ZPE= 0.0447423
CONNECTIONS:
o EQ1 o EQ6
[ TS36 ] Animation C1 ENERGY= 478.2 kJ/mol
Energy+ZPE= 461.6 kJ/mol ZPE= 0.0446438
CONNECTIONS:
o EQ1 o EQ8
[ TS37 ] Animation C1 ENERGY= 519.3 kJ/mol
Energy+ZPE= 502.4 kJ/mol ZPE= 0.0445482
CONNECTIONS:
o EQ1 o EQ8
[ TS38 ] Animation C1 ENERGY= 441.4 kJ/mol
Energy+ZPE= 425.6 kJ/mol ZPE= 0.0449691
CONNECTIONS:
o EQ1 o EQ9
[ TS39 ] Animation C1 ENERGY= 465.6 kJ/mol
Energy+ZPE= 452.3 kJ/mol ZPE= 0.0459177
CONNECTIONS:
o EQ1 o EQ9
[ TS40 ] Animation C1 ENERGY= 574.0 kJ/mol
Energy+ZPE= 559.6 kJ/mol ZPE= 0.0455035
CONNECTIONS:
o EQ1 o EQ9
[ TS41 ] Animation Cs ENERGY= 548.3 kJ/mol
Energy+ZPE= 531.3 kJ/mol ZPE= 0.0445144
CONNECTIONS:
o EQ1 o EQ13
[ TS42 ] Animation C1 ENERGY= 394.2 kJ/mol
Energy+ZPE= 378.3 kJ/mol ZPE= 0.0449023
CONNECTIONS:
o EQ1 o EQ15
[ TS43 ] Animation C1 ENERGY= 540.6 kJ/mol
Energy+ZPE= 522.7 kJ/mol ZPE= 0.0441621
CONNECTIONS:
o EQ1 o EQ15
[ TS44 ] Animation C1 ENERGY= 559.8 kJ/mol
Energy+ZPE= 541.5 kJ/mol ZPE= 0.0439929
CONNECTIONS:
o EQ1 o EQ16
[ TS45 ] Animation C1 ENERGY= 577.1 kJ/mol
Energy+ZPE= 558.1 kJ/mol ZPE= 0.0437536
CONNECTIONS:
o EQ1 o EQ16
[ TS46 ] Animation C1 ENERGY= 395.3 kJ/mol
Energy+ZPE= 388.5 kJ/mol ZPE= 0.0483750
CONNECTIONS:
o EQ1 o EQ28
[ TS47 ] Animation Cs ENERGY= 652.8 kJ/mol
Energy+ZPE= 632.9 kJ/mol ZPE= 0.0433986
CONNECTIONS:
o EQ1 o EQ30
[ TS48 ] Animation C1 ENERGY= 504.9 kJ/mol
Energy+ZPE= 495.5 kJ/mol ZPE= 0.0473885
CONNECTIONS:
o EQ1 o EQ31
[ TS49 ] Animation C1 ENERGY= 630.3 kJ/mol
Energy+ZPE= 612.0 kJ/mol ZPE= 0.0439959
CONNECTIONS:
o EQ1 o EQ31
[ TS50 ] Animation C1 ENERGY= 636.5 kJ/mol
Energy+ZPE= 615.1 kJ/mol ZPE= 0.0428274
CONNECTIONS:
o EQ1 o EQ42
[ TS51 ] Animation C1 ENERGY= 436.2 kJ/mol
Energy+ZPE= 420.1 kJ/mol ZPE= 0.0448363
CONNECTIONS:
o EQ1 o EQ45
[ TS52 ] Animation C1 ENERGY= 447.3 kJ/mol
Energy+ZPE= 430.6 kJ/mol ZPE= 0.0446206
CONNECTIONS:
o EQ1 o EQ46
[ TS53 ] Animation C1 ENERGY= 502.9 kJ/mol
Energy+ZPE= 482.3 kJ/mol ZPE= 0.0431432
CONNECTIONS:
o EQ1 o EQ46
[ TS54 ] Animation C1 ENERGY= 490.4 kJ/mol
Energy+ZPE= 479.7 kJ/mol ZPE= 0.0468830
CONNECTIONS:
o EQ1 o EQ49
[ TS55 ] Animation C1 ENERGY= 675.6 kJ/mol
Energy+ZPE= 656.4 kJ/mol ZPE= 0.0436624
CONNECTIONS:
o EQ1 o EQ50
[ TS56 ] Animation C1 ENERGY= 681.5 kJ/mol
Energy+ZPE= 662.1 kJ/mol ZPE= 0.0435708
CONNECTIONS:
o EQ1 o EQ59
[ TS57 ] Animation C1 ENERGY= 807.2 kJ/mol
Energy+ZPE= 787.5 kJ/mol ZPE= 0.0434796
CONNECTIONS:
o EQ1 o EQ69
[ TS58 ] Animation Cs ENERGY= 493.5 kJ/mol
Energy+ZPE= 464.4 kJ/mol ZPE= 0.0398861
CONNECTIONS:
o EQ1 o DDC1
[ TS59 ] Animation Cs ENERGY= 525.7 kJ/mol
Energy+ZPE= 496.1 kJ/mol ZPE= 0.0396874
CONNECTIONS:
o EQ1 o DDC2
[ TS60 ] Animation Cs ENERGY= 542.5 kJ/mol
Energy+ZPE= 510.7 kJ/mol ZPE= 0.0388636
CONNECTIONS:
o EQ1 o DDC3
[ TS61 ] Animation Cs ENERGY= 552.5 kJ/mol
Energy+ZPE= 520.7 kJ/mol ZPE= 0.0388793
CONNECTIONS:
o EQ1 o DDC4
[ TS62 ] Animation C1 ENERGY= 654.8 kJ/mol
Energy+ZPE= 632.4 kJ/mol ZPE= 0.0424275
CONNECTIONS:
o EQ1 o DDC5
[ TS63 ] Animation Cs ENERGY= 225.3 kJ/mol
Energy+ZPE= 214.7 kJ/mol ZPE= 0.0469533
CONNECTIONS:
o EQ2 o EQ2
[ TS64 ] Animation Cs ENERGY= 469.8 kJ/mol
Energy+ZPE= 455.6 kJ/mol ZPE= 0.0455716
CONNECTIONS:
o EQ2 o EQ2
[ TS65 ] Animation Cs ENERGY= 473.0 kJ/mol
Energy+ZPE= 459.1 kJ/mol ZPE= 0.0456648
CONNECTIONS:
o EQ2 o EQ2
[ TS66 ] Animation Cs ENERGY= 524.0 kJ/mol
Energy+ZPE= 507.1 kJ/mol ZPE= 0.0445309
CONNECTIONS:
o EQ2 o EQ3
[ TS67 ] Animation Cs ENERGY= 529.8 kJ/mol
Energy+ZPE= 511.2 kJ/mol ZPE= 0.0438938
CONNECTIONS:
o EQ2 o EQ4
[ TS68 ] Animation C1 ENERGY= 512.9 kJ/mol
Energy+ZPE= 497.3 kJ/mol ZPE= 0.0450490
CONNECTIONS:
o EQ2 o EQ7
[ TS69 ] Animation C1 ENERGY= 518.7 kJ/mol
Energy+ZPE= 503.0 kJ/mol ZPE= 0.0450058
CONNECTIONS:
o EQ2 o EQ7
[ TS70 ] Animation Cs ENERGY= 520.5 kJ/mol
Energy+ZPE= 502.0 kJ/mol ZPE= 0.0439209
CONNECTIONS:
o EQ2 o EQ12
[ TS71 ] Animation C1 ENERGY= 494.9 kJ/mol
Energy+ZPE= 471.9 kJ/mol ZPE= 0.0422202
CONNECTIONS:
o EQ2 o EQ17
[ TS72 ] Animation C1 ENERGY= 471.6 kJ/mol
Energy+ZPE= 458.1 kJ/mol ZPE= 0.0458169
CONNECTIONS:
o EQ2 o EQ19
[ TS73 ] Animation C1 ENERGY= 473.6 kJ/mol
Energy+ZPE= 458.8 kJ/mol ZPE= 0.0453318
CONNECTIONS:
o EQ2 o EQ19
[ TS74 ] Animation Cs ENERGY= 475.7 kJ/mol
Energy+ZPE= 459.7 kJ/mol ZPE= 0.0448689
CONNECTIONS:
o EQ2 o EQ19
[ TS75 ] Animation C1 ENERGY= 528.6 kJ/mol
Energy+ZPE= 519.7 kJ/mol ZPE= 0.0476021
CONNECTIONS:
o EQ2 o EQ19
[ TS76 ] Animation C1 ENERGY= 532.0 kJ/mol
Energy+ZPE= 523.6 kJ/mol ZPE= 0.0477682
CONNECTIONS:
o EQ2 o EQ19
[ TS77 ] Animation Cs ENERGY= 866.7 kJ/mol
Energy+ZPE= 848.7 kJ/mol ZPE= 0.0441265
CONNECTIONS:
o EQ2 o EQ19
[ TS78 ] Animation C1 ENERGY= 490.7 kJ/mol
Energy+ZPE= 470.3 kJ/mol ZPE= 0.0432152
CONNECTIONS:
o EQ2 o EQ20
[ TS79 ] Animation C1 ENERGY= 496.7 kJ/mol
Energy+ZPE= 474.3 kJ/mol ZPE= 0.0424396
CONNECTIONS:
o EQ2 o EQ20
[ TS80 ] Animation C1 ENERGY= 523.8 kJ/mol
Energy+ZPE= 500.1 kJ/mol ZPE= 0.0419548
CONNECTIONS:
o EQ2 o EQ20
[ TS81 ] Animation C1 ENERGY= 485.8 kJ/mol
Energy+ZPE= 480.2 kJ/mol ZPE= 0.0488360
CONNECTIONS:
o EQ2 o EQ47
[ TS82 ] Animation C1 ENERGY= 549.0 kJ/mol
Energy+ZPE= 544.2 kJ/mol ZPE= 0.0491584
CONNECTIONS:
o EQ2 o EQ55
[ TS83 ] Animation Cs ENERGY= 539.1 kJ/mol
Energy+ZPE= 506.7 kJ/mol ZPE= 0.0386266
CONNECTIONS:
o EQ2 o DDC6
[ TS84 ] Animation Cs ENERGY= 540.6 kJ/mol
Energy+ZPE= 508.3 kJ/mol ZPE= 0.0386723
CONNECTIONS:
o EQ2 o DDC7
[ TS85 ] Animation C1 ENERGY= 627.9 kJ/mol
Energy+ZPE= 611.1 kJ/mol ZPE= 0.0445860
CONNECTIONS:
o EQ2 o DDC8
[ TS86 ] Animation Cs ENERGY= 282.7 kJ/mol
Energy+ZPE= 272.5 kJ/mol ZPE= 0.0470943
CONNECTIONS:
o EQ3 o EQ4
[ TS87 ] Animation Cs ENERGY= 536.6 kJ/mol
Energy+ZPE= 511.0 kJ/mol ZPE= 0.0412122
CONNECTIONS:
o EQ3 o EQ6
[ TS88 ] Animation C1 ENERGY= 617.5 kJ/mol
Energy+ZPE= 597.4 kJ/mol ZPE= 0.0433133
CONNECTIONS:
o EQ3 o EQ10
[ TS89 ] Animation C1 ENERGY= 499.4 kJ/mol
Energy+ZPE= 477.5 kJ/mol ZPE= 0.0426469
CONNECTIONS:
o EQ3 o EQ12
[ TS90 ] Animation C1 ENERGY= 612.2 kJ/mol
Energy+ZPE= 595.9 kJ/mol ZPE= 0.0447503
CONNECTIONS:
o EQ3 o EQ14
[ TS91 ] Animation Cs ENERGY= 476.1 kJ/mol
Energy+ZPE= 454.7 kJ/mol ZPE= 0.0428410
CONNECTIONS:
o EQ3 o EQ17
[ TS92 ] Animation Cs ENERGY= 461.7 kJ/mol
Energy+ZPE= 439.7 kJ/mol ZPE= 0.0426103
CONNECTIONS:
o EQ3 o EQ20
[ TS93 ] Animation Cs ENERGY= 359.0 kJ/mol
Energy+ZPE= 342.3 kJ/mol ZPE= 0.0446221
CONNECTIONS:
o EQ3 o EQ21
[ TS94 ] Animation Cs ENERGY= 357.6 kJ/mol
Energy+ZPE= 341.1 kJ/mol ZPE= 0.0446727
CONNECTIONS:
o EQ3 o EQ23
[ TS95 ] Animation C1 ENERGY= 385.2 kJ/mol
Energy+ZPE= 375.7 kJ/mol ZPE= 0.0473708
CONNECTIONS:
o EQ3 o EQ23
[ TS96 ] Animation C1 ENERGY= 687.5 kJ/mol
Energy+ZPE= 674.0 kJ/mol ZPE= 0.0458295
CONNECTIONS:
o EQ3 o EQ27
[ TS97 ] Animation C1 ENERGY= 573.1 kJ/mol
Energy+ZPE= 559.1 kJ/mol ZPE= 0.0456400
CONNECTIONS:
o EQ3 o EQ30
[ TS98 ] Animation C1 ENERGY= 461.0 kJ/mol
Energy+ZPE= 455.5 kJ/mol ZPE= 0.0488882
CONNECTIONS:
o EQ3 o EQ44
[ TS99 ] Animation C1 ENERGY= 575.1 kJ/mol
Energy+ZPE= 564.1 kJ/mol ZPE= 0.0468009
CONNECTIONS:
o EQ3 o EQ54
[ TS100 ] Animation C1 ENERGY= 578.1 kJ/mol
Energy+ZPE= 566.0 kJ/mol ZPE= 0.0463581
CONNECTIONS:
o EQ3 o EQ54
[ TS101 ] Animation C1 ENERGY= 754.5 kJ/mol
Energy+ZPE= 735.7 kJ/mol ZPE= 0.0438264
CONNECTIONS:
o EQ3 o EQ68
[ TS102 ] Animation Cs ENERGY= 536.9 kJ/mol
Energy+ZPE= 515.1 kJ/mol ZPE= 0.0426600
CONNECTIONS:
o EQ3 o DDC9
[ TS103 ] Animation Cs ENERGY= 554.8 kJ/mol
Energy+ZPE= 536.5 kJ/mol ZPE= 0.0440161
CONNECTIONS:
o EQ4 o EQ4
[ TS104 ] Animation C1 ENERGY= 655.1 kJ/mol
Energy+ZPE= 630.0 kJ/mol ZPE= 0.0414329
CONNECTIONS:
o EQ4 o EQ6
[ TS105 ] Animation Cs ENERGY= 462.4 kJ/mol
Energy+ZPE= 439.7 kJ/mol ZPE= 0.0423371
CONNECTIONS:
o EQ4 o EQ7
[ TS106 ] Animation C1 ENERGY= 683.7 kJ/mol
Energy+ZPE= 667.6 kJ/mol ZPE= 0.0448529
CONNECTIONS:
o EQ4 o EQ7
[ TS107 ] Animation C1 ENERGY= 695.8 kJ/mol
Energy+ZPE= 677.3 kJ/mol ZPE= 0.0439435
CONNECTIONS:
o EQ4 o EQ7
[ TS108 ] Animation C1 ENERGY= 709.7 kJ/mol
Energy+ZPE= 690.9 kJ/mol ZPE= 0.0438054
CONNECTIONS:
o EQ4 o EQ7
[ TS109 ] Animation C1 ENERGY= 639.2 kJ/mol
Energy+ZPE= 620.8 kJ/mol ZPE= 0.0439844
CONNECTIONS:
o EQ4 o EQ10
[ TS110 ] Animation C1 ENERGY= 533.4 kJ/mol
Energy+ZPE= 515.0 kJ/mol ZPE= 0.0439586
CONNECTIONS:
o EQ4 o EQ12
[ TS111 ] Animation Cs ENERGY= 497.8 kJ/mol
Energy+ZPE= 479.3 kJ/mol ZPE= 0.0439356
CONNECTIONS:
o EQ4 o EQ14
[ TS112 ] Animation Cs ENERGY= 353.3 kJ/mol
Energy+ZPE= 337.3 kJ/mol ZPE= 0.0448832
CONNECTIONS:
o EQ4 o EQ18
[ TS113 ] Animation C1 ENERGY= 395.9 kJ/mol
Energy+ZPE= 386.1 kJ/mol ZPE= 0.0472349
CONNECTIONS:
o EQ4 o EQ18
[ TS114 ] Animation Cs ENERGY= 363.0 kJ/mol
Energy+ZPE= 346.4 kJ/mol ZPE= 0.0446463
CONNECTIONS:
o EQ4 o EQ25
[ TS115 ] Animation C1 ENERGY= 535.1 kJ/mol
Energy+ZPE= 520.5 kJ/mol ZPE= 0.0454030
CONNECTIONS:
o EQ4 o EQ33
[ TS116 ] Animation C1 ENERGY= 653.0 kJ/mol
Energy+ZPE= 637.0 kJ/mol ZPE= 0.0448940
CONNECTIONS:
o EQ4 o EQ33
[ TS117 ] Animation C1 ENERGY= 669.2 kJ/mol
Energy+ZPE= 655.8 kJ/mol ZPE= 0.0458711
CONNECTIONS:
o EQ4 o EQ35
[ TS118 ] Animation C1 ENERGY= 449.5 kJ/mol
Energy+ZPE= 442.3 kJ/mol ZPE= 0.0482223
CONNECTIONS:
o EQ4 o EQ39
[ TS119 ] Animation C1 ENERGY= 561.6 kJ/mol
Energy+ZPE= 551.0 kJ/mol ZPE= 0.0469339
CONNECTIONS:
o EQ4 o EQ53
[ TS120 ] Animation C1 ENERGY= 590.8 kJ/mol
Energy+ZPE= 576.5 kJ/mol ZPE= 0.0455147
CONNECTIONS:
o EQ4 o EQ53
[ TS121 ] Animation C1 ENERGY= 579.6 kJ/mol
Energy+ZPE= 566.4 kJ/mol ZPE= 0.0459364
CONNECTIONS:
o EQ4 o EQ54
[ TS122 ] Animation C1 ENERGY= 584.6 kJ/mol
Energy+ZPE= 571.6 kJ/mol ZPE= 0.0460296
CONNECTIONS:
o EQ4 o EQ58
[ TS123 ] Animation Cs ENERGY= 554.7 kJ/mol
Energy+ZPE= 532.4 kJ/mol ZPE= 0.0424829
CONNECTIONS:
o EQ4 o DDC10
[ TS124 ] Animation Cs ENERGY= 237.9 kJ/mol
Energy+ZPE= 227.4 kJ/mol ZPE= 0.0469620
CONNECTIONS:
o EQ5 o EQ5
[ TS125 ] Animation Cs ENERGY= 393.7 kJ/mol
Energy+ZPE= 384.9 kJ/mol ZPE= 0.0476342
CONNECTIONS:
o EQ5 o EQ26
[ TS126 ] Animation Cs ENERGY= 415.3 kJ/mol
Energy+ZPE= 405.7 kJ/mol ZPE= 0.0473143
CONNECTIONS:
o EQ5 o EQ26
[ TS127 ] Animation C1 ENERGY= 482.4 kJ/mol
Energy+ZPE= 468.4 kJ/mol ZPE= 0.0456557
CONNECTIONS:
o EQ5 o EQ26
[ TS128 ] Animation C1 ENERGY= 563.3 kJ/mol
Energy+ZPE= 539.2 kJ/mol ZPE= 0.0418064
CONNECTIONS:
o EQ5 o EQ30
[ TS129 ] Animation C1 ENERGY= 497.5 kJ/mol
Energy+ZPE= 486.3 kJ/mol ZPE= 0.0467086
CONNECTIONS:
o EQ5 o EQ31
[ TS130 ] Animation C1 ENERGY= 609.1 kJ/mol
Energy+ZPE= 587.1 kJ/mol ZPE= 0.0426035
CONNECTIONS:
o EQ5 o EQ33
[ TS131 ] Animation C1 ENERGY= 388.6 kJ/mol
Energy+ZPE= 376.1 kJ/mol ZPE= 0.0462102
CONNECTIONS:
o EQ5 o EQ34
[ TS132 ] Animation C1 ENERGY= 395.8 kJ/mol
Energy+ZPE= 383.9 kJ/mol ZPE= 0.0464333
CONNECTIONS:
o EQ5 o EQ34
[ TS133 ] Animation C1 ENERGY= 482.7 kJ/mol
Energy+ZPE= 468.6 kJ/mol ZPE= 0.0456208
CONNECTIONS:
o EQ5 o EQ34
[ TS134 ] Animation C1 ENERGY= 618.6 kJ/mol
Energy+ZPE= 596.1 kJ/mol ZPE= 0.0424178
CONNECTIONS:
o EQ5 o EQ36
[ TS135 ] Animation C1 ENERGY= 666.8 kJ/mol
Energy+ZPE= 645.7 kJ/mol ZPE= 0.0429216
CONNECTIONS:
o EQ5 o EQ37
[ TS136 ] Animation Cs ENERGY= 609.0 kJ/mol
Energy+ZPE= 585.3 kJ/mol ZPE= 0.0419385
CONNECTIONS:
o EQ5 o EQ41
[ TS137 ] Animation C1 ENERGY= 796.4 kJ/mol
Energy+ZPE= 769.7 kJ/mol ZPE= 0.0408189
CONNECTIONS:
o EQ5 o EQ58
[ TS138 ] Animation Cs ENERGY= 586.6 kJ/mol
Energy+ZPE= 555.5 kJ/mol ZPE= 0.0391239
CONNECTIONS:
o EQ5 o DDC11
[ TS139 ] Animation Cs ENERGY= 639.2 kJ/mol
Energy+ZPE= 607.6 kJ/mol ZPE= 0.0389335
CONNECTIONS:
o EQ5 o DDC12
[ TS140 ] Animation C1 ENERGY= 484.2 kJ/mol
Energy+ZPE= 465.8 kJ/mol ZPE= 0.0439751
CONNECTIONS:
o EQ6 o EQ6
[ TS141 ] Animation C1 ENERGY= 532.4 kJ/mol
Energy+ZPE= 519.6 kJ/mol ZPE= 0.0460858
CONNECTIONS:
o EQ6 o EQ6
[ TS142 ] Animation C1 ENERGY= 421.9 kJ/mol
Energy+ZPE= 407.2 kJ/mol ZPE= 0.0453592
CONNECTIONS:
o EQ6 o EQ9
[ TS143 ] Animation C1 ENERGY= 508.2 kJ/mol
Energy+ZPE= 489.7 kJ/mol ZPE= 0.0439279
CONNECTIONS:
o EQ6 o EQ19
[ TS144 ] Animation C1 ENERGY= 449.6 kJ/mol
Energy+ZPE= 442.5 kJ/mol ZPE= 0.0482802
CONNECTIONS:
o EQ6 o EQ32
[ TS145 ] Animation C1 ENERGY= 596.6 kJ/mol
Energy+ZPE= 583.9 kJ/mol ZPE= 0.0461252
CONNECTIONS:
o EQ6 o EQ32
[ TS146 ] Animation C1 ENERGY= 539.5 kJ/mol
Energy+ZPE= 521.8 kJ/mol ZPE= 0.0442359
CONNECTIONS:
o EQ6 o EQ48
[ TS147 ] Animation C1 ENERGY= 640.9 kJ/mol
Energy+ZPE= 625.7 kJ/mol ZPE= 0.0452039
CONNECTIONS:
o EQ6 o EQ61
[ TS148 ] Animation Cs ENERGY= 388.3 kJ/mol
Energy+ZPE= 369.5 kJ/mol ZPE= 0.0438172
CONNECTIONS:
o EQ6 o DDC13
[ TS149 ] Animation C1 ENERGY= 536.1 kJ/mol
Energy+ZPE= 518.1 kJ/mol ZPE= 0.0441021
CONNECTIONS:
o EQ6 o DDC14
[ TS150 ] Animation Cs ENERGY= 635.9 kJ/mol
Energy+ZPE= 603.3 kJ/mol ZPE= 0.0385584
CONNECTIONS:
o EQ6 o DDC15
[ TS151 ] Animation Cs ENERGY= 312.6 kJ/mol
Energy+ZPE= 301.6 kJ/mol ZPE= 0.0467911
CONNECTIONS:
o EQ7 o EQ7
[ TS152 ] Animation Cs ENERGY= 548.8 kJ/mol
Energy+ZPE= 528.0 kJ/mol ZPE= 0.0430372
CONNECTIONS:
o EQ7 o EQ10
[ TS153 ] Animation Cs ENERGY= 606.6 kJ/mol
Energy+ZPE= 582.8 kJ/mol ZPE= 0.0419107
CONNECTIONS:
o EQ7 o EQ13
[ TS154 ] Animation Cs ENERGY= 350.4 kJ/mol
Energy+ZPE= 338.9 kJ/mol ZPE= 0.0465969
CONNECTIONS:
o EQ7 o EQ17
[ TS155 ] Animation Cs ENERGY= 354.7 kJ/mol
Energy+ZPE= 342.8 kJ/mol ZPE= 0.0464479
CONNECTIONS:
o EQ7 o EQ17
[ TS156 ] Animation C1 ENERGY= 472.5 kJ/mol
Energy+ZPE= 454.8 kJ/mol ZPE= 0.0442403
CONNECTIONS:
o EQ7 o EQ17
[ TS157 ] Animation C1 ENERGY= 473.9 kJ/mol
Energy+ZPE= 456.1 kJ/mol ZPE= 0.0441957
CONNECTIONS:
o EQ7 o EQ17
[ TS158 ] Animation C1 ENERGY= 344.4 kJ/mol
Energy+ZPE= 331.8 kJ/mol ZPE= 0.0461874
CONNECTIONS:
o EQ7 o EQ20
[ TS159 ] Animation C1 ENERGY= 352.8 kJ/mol
Energy+ZPE= 339.6 kJ/mol ZPE= 0.0459353
CONNECTIONS:
o EQ7 o EQ20
[ TS160 ] Animation C1 ENERGY= 546.4 kJ/mol
Energy+ZPE= 533.5 kJ/mol ZPE= 0.0460793
CONNECTIONS:
o EQ7 o EQ27
[ TS161 ] Animation C1 ENERGY= 685.2 kJ/mol
Energy+ZPE= 666.4 kJ/mol ZPE= 0.0438307
CONNECTIONS:
o EQ7 o EQ30
[ TS162 ] Animation Cs ENERGY= 262.6 kJ/mol
Energy+ZPE= 257.3 kJ/mol ZPE= 0.0489563
CONNECTIONS:
o EQ8 o EQ8
[ TS163 ] Animation Cs ENERGY= 552.7 kJ/mol
Energy+ZPE= 538.9 kJ/mol ZPE= 0.0457367
CONNECTIONS:
o EQ8 o EQ8
[ TS164 ] Animation Cs ENERGY= 770.0 kJ/mol
Energy+ZPE= 749.2 kJ/mol ZPE= 0.0430695
CONNECTIONS:
o EQ8 o EQ8
[ TS165 ] Animation C1 ENERGY= 487.5 kJ/mol
Energy+ZPE= 473.4 kJ/mol ZPE= 0.0456053
CONNECTIONS:
o EQ8 o EQ11
[ TS166 ] Animation C1 ENERGY= 518.9 kJ/mol
Energy+ZPE= 504.1 kJ/mol ZPE= 0.0453430
CONNECTIONS:
o EQ8 o EQ11
[ TS167 ] Animation C1 ENERGY= 637.7 kJ/mol
Energy+ZPE= 623.0 kJ/mol ZPE= 0.0453672
CONNECTIONS:
o EQ8 o EQ11
[ TS168 ] Animation C1 ENERGY= 447.9 kJ/mol
Energy+ZPE= 433.2 kJ/mol ZPE= 0.0453931
CONNECTIONS:
o EQ8 o EQ15
[ TS169 ] Animation C1 ENERGY= 448.9 kJ/mol
Energy+ZPE= 434.0 kJ/mol ZPE= 0.0453025
CONNECTIONS:
o EQ8 o EQ15
[ TS170 ] Animation C1 ENERGY= 476.0 kJ/mol
Energy+ZPE= 461.8 kJ/mol ZPE= 0.0455766
CONNECTIONS:
o EQ8 o EQ15
[ TS171 ] Animation C1 ENERGY= 672.1 kJ/mol
Energy+ZPE= 656.5 kJ/mol ZPE= 0.0450282
CONNECTIONS:
o EQ8 o EQ43
[ TS172 ] Animation Cs ENERGY= 599.2 kJ/mol
Energy+ZPE= 566.0 kJ/mol ZPE= 0.0383106
CONNECTIONS:
o EQ8 o DDC16
[ TS173 ] Animation Cs ENERGY= 607.1 kJ/mol
Energy+ZPE= 574.4 kJ/mol ZPE= 0.0385359
CONNECTIONS:
o EQ8 o DDC17
[ TS174 ] Animation Cs ENERGY= 307.0 kJ/mol
Energy+ZPE= 296.3 kJ/mol ZPE= 0.0469113
CONNECTIONS:
o EQ9 o EQ9
[ TS175 ] Animation Cs ENERGY= 425.5 kJ/mol
Energy+ZPE= 408.9 kJ/mol ZPE= 0.0446359
CONNECTIONS:
o EQ9 o EQ9
[ TS176 ] Animation C1 ENERGY= 820.3 kJ/mol
Energy+ZPE= 790.9 kJ/mol ZPE= 0.0397890
CONNECTIONS:
o EQ9 o EQ30
[ TS177 ] Animation C1 ENERGY= 572.9 kJ/mol
Energy+ZPE= 548.9 kJ/mol ZPE= 0.0418445
CONNECTIONS:
o EQ9 o EQ41
[ TS178 ] Animation C1 ENERGY= 579.7 kJ/mol
Energy+ZPE= 565.4 kJ/mol ZPE= 0.0455238
CONNECTIONS:
o EQ9 o EQ59
[ TS179 ] Animation C1 ENERGY= 580.2 kJ/mol
Energy+ZPE= 565.3 kJ/mol ZPE= 0.0453016
CONNECTIONS:
o EQ9 o EQ61
[ TS180 ] Animation Cs ENERGY= 388.5 kJ/mol
Energy+ZPE= 369.7 kJ/mol ZPE= 0.0437995
CONNECTIONS:
o EQ9 o DDC18
[ TS181 ] Animation Cs ENERGY= 545.0 kJ/mol
Energy+ZPE= 524.9 kJ/mol ZPE= 0.0433230
CONNECTIONS:
o EQ9 o DDC19
[ TS182 ] Animation Cs ENERGY= 557.6 kJ/mol
Energy+ZPE= 526.8 kJ/mol ZPE= 0.0392492
CONNECTIONS:
o EQ9 o DDC20
[ TS183 ] Animation Cs ENERGY= 346.9 kJ/mol
Energy+ZPE= 342.9 kJ/mol ZPE= 0.0494491
CONNECTIONS:
o EQ10 o EQ10
[ TS184 ] Animation Cs ENERGY= 355.7 kJ/mol
Energy+ZPE= 351.5 kJ/mol ZPE= 0.0493660
CONNECTIONS:
o EQ10 o EQ10
[ TS185 ] Animation Cs ENERGY= 458.3 kJ/mol
Energy+ZPE= 445.4 kJ/mol ZPE= 0.0460648
CONNECTIONS:
o EQ10 o EQ10
[ TS186 ] Animation Cs ENERGY= 485.1 kJ/mol
Energy+ZPE= 474.8 kJ/mol ZPE= 0.0470367
CONNECTIONS:
o EQ10 o EQ12
[ TS187 ] Animation C1 ENERGY= 487.8 kJ/mol
Energy+ZPE= 475.6 kJ/mol ZPE= 0.0463462
CONNECTIONS:
o EQ10 o EQ12
[ TS188 ] Animation C1 ENERGY= 495.4 kJ/mol
Energy+ZPE= 484.4 kJ/mol ZPE= 0.0467839
CONNECTIONS:
o EQ10 o EQ12
[ TS189 ] Animation C1 ENERGY= 496.7 kJ/mol
Energy+ZPE= 486.9 kJ/mol ZPE= 0.0472393
CONNECTIONS:
o EQ10 o EQ12
[ TS190 ] Animation C1 ENERGY= 527.5 kJ/mol
Energy+ZPE= 516.4 kJ/mol ZPE= 0.0467333
CONNECTIONS:
o EQ10 o EQ12
[ TS191 ] Animation C1 ENERGY= 657.1 kJ/mol
Energy+ZPE= 642.6 kJ/mol ZPE= 0.0454328
CONNECTIONS:
o EQ10 o EQ12
[ TS192 ] Animation Cs ENERGY= 535.8 kJ/mol
Energy+ZPE= 520.6 kJ/mol ZPE= 0.0452028
CONNECTIONS:
o EQ10 o EQ14
[ TS193 ] Animation C1 ENERGY= 631.7 kJ/mol
Energy+ZPE= 611.4 kJ/mol ZPE= 0.0432615
CONNECTIONS:
o EQ10 o EQ17
[ TS194 ] Animation C1 ENERGY= 923.6 kJ/mol
Energy+ZPE= 903.0 kJ/mol ZPE= 0.0431326
CONNECTIONS:
o EQ10 o EQ30
[ TS195 ] Animation C1 ENERGY= 547.1 kJ/mol
Energy+ZPE= 542.9 kJ/mol ZPE= 0.0493668
CONNECTIONS:
o EQ10 o EQ51
[ TS196 ] Animation Cs ENERGY= 738.5 kJ/mol
Energy+ZPE= 717.9 kJ/mol ZPE= 0.0431114
CONNECTIONS:
o EQ10 o EQ64
[ TS197 ] Animation C1 ENERGY= 643.1 kJ/mol
Energy+ZPE= 630.6 kJ/mol ZPE= 0.0462022
CONNECTIONS:
o EQ10 o EQ65
[ TS198 ] Animation C1 ENERGY= 646.9 kJ/mol
Energy+ZPE= 632.6 kJ/mol ZPE= 0.0455340
CONNECTIONS:
o EQ10 o EQ65
[ TS199 ] Animation C1 ENERGY= 635.8 kJ/mol
Energy+ZPE= 601.7 kJ/mol ZPE= 0.0380029
CONNECTIONS:
o EQ10 o DDC21
[ TS200 ] Animation C1 ENERGY= 656.0 kJ/mol
Energy+ZPE= 620.8 kJ/mol ZPE= 0.0375582
CONNECTIONS:
o EQ10 o DDC22
[ TS201 ] Animation Cs ENERGY= 787.0 kJ/mol
Energy+ZPE= 763.0 kJ/mol ZPE= 0.0418464
CONNECTIONS:
o EQ10 o DDC23
[ TS202 ] Animation Cs ENERGY= 273.7 kJ/mol
Energy+ZPE= 264.1 kJ/mol ZPE= 0.0473000
CONNECTIONS:
o EQ11 o EQ11
[ TS203 ] Animation Cs ENERGY= 274.3 kJ/mol
Energy+ZPE= 263.7 kJ/mol ZPE= 0.0469522
CONNECTIONS:
o EQ11 o EQ11
[ TS204 ] Animation Cs ENERGY= 323.4 kJ/mol
Energy+ZPE= 313.5 kJ/mol ZPE= 0.0471921
CONNECTIONS:
o EQ11 o EQ11
[ TS205 ] Animation C1 ENERGY= 695.7 kJ/mol
Energy+ZPE= 681.3 kJ/mol ZPE= 0.0454865
CONNECTIONS:
o EQ11 o EQ37
[ TS206 ] Animation Cs ENERGY= 449.3 kJ/mol
Energy+ZPE= 421.8 kJ/mol ZPE= 0.0404985
CONNECTIONS:
o EQ11 o DDC24
[ TS207 ] Animation Cs ENERGY= 465.8 kJ/mol
Energy+ZPE= 439.7 kJ/mol ZPE= 0.0410496
CONNECTIONS:
o EQ11 o DDC25
[ TS208 ] Animation Cs ENERGY= 339.6 kJ/mol
Energy+ZPE= 331.1 kJ/mol ZPE= 0.0477205
CONNECTIONS:
o EQ12 o EQ12
[ TS209 ] Animation Cs ENERGY= 466.1 kJ/mol
Energy+ZPE= 452.2 kJ/mol ZPE= 0.0456641
CONNECTIONS:
o EQ12 o EQ12
[ TS210 ] Animation Cs ENERGY= 480.2 kJ/mol
Energy+ZPE= 464.8 kJ/mol ZPE= 0.0451165
CONNECTIONS:
o EQ12 o EQ12
[ TS211 ] Animation C1 ENERGY= 608.7 kJ/mol
Energy+ZPE= 588.8 kJ/mol ZPE= 0.0433796
CONNECTIONS:
o EQ12 o EQ14
[ TS212 ] Animation Cs ENERGY= 700.1 kJ/mol
Energy+ZPE= 680.5 kJ/mol ZPE= 0.0434931
CONNECTIONS:
o EQ12 o EQ14
[ TS213 ] Animation C1 ENERGY= 693.4 kJ/mol
Energy+ZPE= 664.9 kJ/mol ZPE= 0.0401321
CONNECTIONS:
o EQ12 o EQ21
[ TS214 ] Animation C1 ENERGY= 708.4 kJ/mol
Energy+ZPE= 686.3 kJ/mol ZPE= 0.0425554
CONNECTIONS:
o EQ12 o EQ63
[ TS215 ] Animation C1 ENERGY= 616.7 kJ/mol
Energy+ZPE= 601.1 kJ/mol ZPE= 0.0450186
CONNECTIONS:
o EQ12 o EQ65
[ TS216 ] Animation C1 ENERGY= 700.7 kJ/mol
Energy+ZPE= 689.2 kJ/mol ZPE= 0.0465764
CONNECTIONS:
o EQ12 o EQ68
[ TS217 ] Animation Cs ENERGY= 597.2 kJ/mol
Energy+ZPE= 569.9 kJ/mol ZPE= 0.0405667
CONNECTIONS:
o EQ12 o DDC26
[ TS218 ] Animation C1 ENERGY= 333.9 kJ/mol
Energy+ZPE= 327.1 kJ/mol ZPE= 0.0483978
CONNECTIONS:
o EQ13 o EQ16
[ TS219 ] Animation C1 ENERGY= 504.4 kJ/mol
Energy+ZPE= 493.0 kJ/mol ZPE= 0.0466435
CONNECTIONS:
o EQ13 o EQ16
[ TS220 ] Animation Cs ENERGY= 511.0 kJ/mol
Energy+ZPE= 496.3 kJ/mol ZPE= 0.0453680
CONNECTIONS:
o EQ13 o EQ23
[ TS221 ] Animation C1 ENERGY= 563.3 kJ/mol
Energy+ZPE= 549.0 kJ/mol ZPE= 0.0455387
CONNECTIONS:
o EQ13 o EQ32
[ TS222 ] Animation C1 ENERGY= 584.8 kJ/mol
Energy+ZPE= 568.9 kJ/mol ZPE= 0.0449270
CONNECTIONS:
o EQ13 o EQ38
[ TS223 ] Animation Cs ENERGY= 491.7 kJ/mol
Energy+ZPE= 476.9 kJ/mol ZPE= 0.0453412
CONNECTIONS:
o EQ13 o EQ41
[ TS224 ] Animation C1 ENERGY= 433.2 kJ/mol
Energy+ZPE= 423.4 kJ/mol ZPE= 0.0472285
CONNECTIONS:
o EQ13 o EQ42
[ TS225 ] Animation C1 ENERGY= 773.8 kJ/mol
Energy+ZPE= 756.3 kJ/mol ZPE= 0.0443246
CONNECTIONS:
o EQ13 o EQ57
[ TS226 ] Animation C1 ENERGY= 522.1 kJ/mol
Energy+ZPE= 510.9 kJ/mol ZPE= 0.0466953
CONNECTIONS:
o EQ13 o DDC27
[ TS227 ] Animation Cs ENERGY= 655.1 kJ/mol
Energy+ZPE= 618.7 kJ/mol ZPE= 0.0371232
CONNECTIONS:
o EQ13 o DDC28
[ TS228 ] Animation Cs ENERGY= 398.7 kJ/mol
Energy+ZPE= 393.1 kJ/mol ZPE= 0.0488502
CONNECTIONS:
o EQ14 o EQ14
[ TS229 ] Animation C1 ENERGY= 749.2 kJ/mol
Energy+ZPE= 730.7 kJ/mol ZPE= 0.0439103
CONNECTIONS:
o EQ14 o EQ44
[ TS230 ] Animation C1 ENERGY= 683.0 kJ/mol
Energy+ZPE= 666.8 kJ/mol ZPE= 0.0447964
CONNECTIONS:
o EQ14 o EQ47
[ TS231 ] Animation C1 ENERGY= 826.7 kJ/mol
Energy+ZPE= 813.3 kJ/mol ZPE= 0.0458674
CONNECTIONS:
o EQ14 o EQ51
[ TS232 ] Animation C1 ENERGY= 703.7 kJ/mol
Energy+ZPE= 685.4 kJ/mol ZPE= 0.0440180
CONNECTIONS:
o EQ14 o EQ63
[ TS233 ] Animation C1 ENERGY= 681.5 kJ/mol
Energy+ZPE= 673.0 kJ/mol ZPE= 0.0477256
CONNECTIONS:
o EQ14 o EQ68
[ TS234 ] Animation C1 ENERGY= 713.0 kJ/mol
Energy+ZPE= 706.7 kJ/mol ZPE= 0.0485577
CONNECTIONS:
o EQ14 o EQ68
[ TS235 ] Animation C1 ENERGY= 716.8 kJ/mol
Energy+ZPE= 706.2 kJ/mol ZPE= 0.0469468
CONNECTIONS:
o EQ14 o EQ68
[ TS236 ] Animation Cs ENERGY= 707.9 kJ/mol
Energy+ZPE= 675.6 kJ/mol ZPE= 0.0386720
CONNECTIONS:
o EQ14 o DDC29
[ TS237 ] Animation Cs ENERGY= 719.6 kJ/mol
Energy+ZPE= 696.7 kJ/mol ZPE= 0.0422478
CONNECTIONS:
o EQ14 o DDC30
[ TS238 ] Animation C1 ENERGY= 739.8 kJ/mol
Energy+ZPE= 704.8 kJ/mol ZPE= 0.0376524
CONNECTIONS:
o EQ14 o DDC31
[ TS239 ] Animation Cs ENERGY= 325.1 kJ/mol
Energy+ZPE= 314.8 kJ/mol ZPE= 0.0470328
CONNECTIONS:
o EQ15 o EQ15
[ TS240 ] Animation Cs ENERGY= 328.2 kJ/mol
Energy+ZPE= 317.3 kJ/mol ZPE= 0.0468209
CONNECTIONS:
o EQ15 o EQ15
[ TS241 ] Animation Cs ENERGY= 449.6 kJ/mol
Energy+ZPE= 438.3 kJ/mol ZPE= 0.0466515
CONNECTIONS:
o EQ15 o EQ15
[ TS242 ] Animation C1 ENERGY= 806.6 kJ/mol
Energy+ZPE= 782.2 kJ/mol ZPE= 0.0416700
CONNECTIONS:
o EQ15 o EQ43
[ TS243 ] Animation Cs ENERGY= 834.7 kJ/mol
Energy+ZPE= 812.7 kJ/mol ZPE= 0.0425902
CONNECTIONS:
o EQ15 o EQ43
[ TS244 ] Animation C1 ENERGY= 795.0 kJ/mol
Energy+ZPE= 779.2 kJ/mol ZPE= 0.0449413
CONNECTIONS:
o EQ15 o EQ69
[ TS245 ] Animation Cs ENERGY= 546.1 kJ/mol
Energy+ZPE= 515.2 kJ/mol ZPE= 0.0392194
CONNECTIONS:
o EQ15 o DDC32
[ TS246 ] Animation Cs ENERGY= 580.8 kJ/mol
Energy+ZPE= 552.3 kJ/mol ZPE= 0.0401165
CONNECTIONS:
o EQ15 o DDC33
[ TS247 ] Animation C1 ENERGY= 549.9 kJ/mol
Energy+ZPE= 533.7 kJ/mol ZPE= 0.0448034
CONNECTIONS:
o EQ16 o EQ27
[ TS248 ] Animation Cs ENERGY= 574.6 kJ/mol
Energy+ZPE= 560.2 kJ/mol ZPE= 0.0455042
CONNECTIONS:
o EQ16 o EQ29
[ TS249 ] Animation C1 ENERGY= 589.1 kJ/mol
Energy+ZPE= 573.8 kJ/mol ZPE= 0.0451592
CONNECTIONS:
o EQ16 o EQ29
[ TS250 ] Animation C1 ENERGY= 466.2 kJ/mol
Energy+ZPE= 453.1 kJ/mol ZPE= 0.0459715
CONNECTIONS:
o EQ16 o EQ48
[ TS251 ] Animation C1 ENERGY= 480.2 kJ/mol
Energy+ZPE= 468.8 kJ/mol ZPE= 0.0466352
CONNECTIONS:
o EQ16 o DDC34
[ TS252 ] Animation C1 ENERGY= 550.7 kJ/mol
Energy+ZPE= 533.7 kJ/mol ZPE= 0.0445072
CONNECTIONS:
o EQ16 o DDC35
[ TS253 ] Animation Cs ENERGY= 340.4 kJ/mol
Energy+ZPE= 327.7 kJ/mol ZPE= 0.0461332
CONNECTIONS:
o EQ17 o EQ17
[ TS254 ] Animation Cs ENERGY= 346.3 kJ/mol
Energy+ZPE= 333.6 kJ/mol ZPE= 0.0461536
CONNECTIONS:
o EQ17 o EQ17
[ TS255 ] Animation Cs ENERGY= 416.0 kJ/mol
Energy+ZPE= 402.8 kJ/mol ZPE= 0.0459553
CONNECTIONS:
o EQ17 o EQ18
[ TS256 ] Animation C1 ENERGY= 505.8 kJ/mol
Energy+ZPE= 494.8 kJ/mol ZPE= 0.0467915
CONNECTIONS:
o EQ17 o EQ27
[ TS257 ] Animation C1 ENERGY= 525.1 kJ/mol
Energy+ZPE= 512.9 kJ/mol ZPE= 0.0463143
CONNECTIONS:
o EQ17 o EQ35
[ TS258 ] Animation Cs ENERGY= 388.4 kJ/mol
Energy+ZPE= 371.8 kJ/mol ZPE= 0.0446547
CONNECTIONS:
o EQ17 o DDC36
[ TS259 ] Animation C1 ENERGY= 536.3 kJ/mol
Energy+ZPE= 511.6 kJ/mol ZPE= 0.0415542
CONNECTIONS:
o EQ17 o DDC37
[ TS260 ] Animation C1 ENERGY= 733.5 kJ/mol
Energy+ZPE= 710.0 kJ/mol ZPE= 0.0420218
CONNECTIONS:
o EQ18 o EQ18
[ TS261 ] Animation Cs ENERGY= 457.6 kJ/mol
Energy+ZPE= 442.9 kJ/mol ZPE= 0.0453739
CONNECTIONS:
o EQ18 o EQ21
[ TS262 ] Animation C1 ENERGY= 367.4 kJ/mol
Energy+ZPE= 357.2 kJ/mol ZPE= 0.0470965
CONNECTIONS:
o EQ18 o EQ25
[ TS263 ] Animation C1 ENERGY= 690.5 kJ/mol
Energy+ZPE= 674.1 kJ/mol ZPE= 0.0447246
CONNECTIONS:
o EQ18 o EQ47
[ TS264 ] Animation Cs ENERGY= 627.9 kJ/mol
Energy+ZPE= 607.4 kJ/mol ZPE= 0.0431711
CONNECTIONS:
o EQ19 o EQ19
[ TS265 ] Animation C1 ENERGY= 537.3 kJ/mol
Energy+ZPE= 530.3 kJ/mol ZPE= 0.0483054
CONNECTIONS:
o EQ19 o EQ52
[ TS266 ] Animation C1 ENERGY= 500.8 kJ/mol
Energy+ZPE= 487.6 kJ/mol ZPE= 0.0459645
CONNECTIONS:
o EQ19 o DDC38
[ TS267 ] Animation C1 ENERGY= 671.1 kJ/mol
Energy+ZPE= 650.1 kJ/mol ZPE= 0.0429653
CONNECTIONS:
o EQ19 o DDC39
[ TS268 ] Animation Cs ENERGY= 773.5 kJ/mol
Energy+ZPE= 737.8 kJ/mol ZPE= 0.0373770
CONNECTIONS:
o EQ19 o DDC40
[ TS269 ] Animation C1 ENERGY= 570.6 kJ/mol
Energy+ZPE= 544.9 kJ/mol ZPE= 0.0411992
CONNECTIONS:
o EQ20 o DDC41
[ TS270 ] Animation C1 ENERGY= 359.6 kJ/mol
Energy+ZPE= 350.1 kJ/mol ZPE= 0.0473625
CONNECTIONS:
o EQ21 o EQ23
[ TS271 ] Animation Cs ENERGY= 716.4 kJ/mol
Energy+ZPE= 680.0 kJ/mol ZPE= 0.0371009
CONNECTIONS:
o EQ21 o DDC42
[ TS272 ] Animation Cs ENERGY= 348.5 kJ/mol
Energy+ZPE= 335.6 kJ/mol ZPE= 0.0460557
CONNECTIONS:
o EQ22 o EQ22
[ TS273 ] Animation C1 ENERGY= 366.4 kJ/mol
Energy+ZPE= 355.3 kJ/mol ZPE= 0.0467464
CONNECTIONS:
o EQ22 o EQ28
[ TS274 ] Animation Cs ENERGY= 519.4 kJ/mol
Energy+ZPE= 493.0 kJ/mol ZPE= 0.0409065
CONNECTIONS:
o EQ22 o DDC43
[ TS275 ] Animation C1 ENERGY= 529.5 kJ/mol
Energy+ZPE= 507.4 kJ/mol ZPE= 0.0425622
CONNECTIONS:
o EQ22 o DDC44
[ TS276 ] Animation C1 ENERGY= 540.5 kJ/mol
Energy+ZPE= 516.2 kJ/mol ZPE= 0.0417330
CONNECTIONS:
o EQ22 o DDC45
[ TS277 ] Animation C1 ENERGY= 416.7 kJ/mol
Energy+ZPE= 412.0 kJ/mol ZPE= 0.0491991
CONNECTIONS:
o EQ23 o EQ35
[ TS278 ] Animation Cs ENERGY= 552.6 kJ/mol
Energy+ZPE= 527.2 kJ/mol ZPE= 0.0413063
CONNECTIONS:
o EQ23 o DDC46
[ TS279 ] Animation Cs ENERGY= 353.7 kJ/mol
Energy+ZPE= 340.1 kJ/mol ZPE= 0.0457755
CONNECTIONS:
o EQ24 o EQ24
[ TS280 ] Animation C1 ENERGY= 371.9 kJ/mol
Energy+ZPE= 360.3 kJ/mol ZPE= 0.0465492
CONNECTIONS:
o EQ24 o EQ28
[ TS281 ] Animation C1 ENERGY= 600.7 kJ/mol
Energy+ZPE= 579.7 kJ/mol ZPE= 0.0429840
CONNECTIONS:
o EQ24 o EQ46
[ TS282 ] Animation Cs ENERGY= 514.5 kJ/mol
Energy+ZPE= 485.5 kJ/mol ZPE= 0.0399412
CONNECTIONS:
o EQ24 o DDC47
[ TS283 ] Animation C1 ENERGY= 544.3 kJ/mol
Energy+ZPE= 521.9 kJ/mol ZPE= 0.0424319
CONNECTIONS:
o EQ24 o DDC48
[ TS284 ] Animation C1 ENERGY= 393.4 kJ/mol
Energy+ZPE= 387.1 kJ/mol ZPE= 0.0485611
CONNECTIONS:
o EQ25 o EQ27
[ TS285 ] Animation Cs ENERGY= 574.4 kJ/mol
Energy+ZPE= 563.8 kJ/mol ZPE= 0.0469218
CONNECTIONS:
o EQ25 o EQ33
[ TS286 ] Animation Cs ENERGY= 788.6 kJ/mol
Energy+ZPE= 753.4 kJ/mol ZPE= 0.0375714
CONNECTIONS:
o EQ25 o DDC49
[ TS287 ] Animation Cs ENERGY= 591.1 kJ/mol
Energy+ZPE= 572.6 kJ/mol ZPE= 0.0439392
CONNECTIONS:
o EQ26 o EQ26
[ TS288 ] Animation C1 ENERGY= 773.9 kJ/mol
Energy+ZPE= 749.2 kJ/mol ZPE= 0.0415591
CONNECTIONS:
o EQ26 o EQ43
[ TS289 ] Animation C1 ENERGY= 711.1 kJ/mol
Energy+ZPE= 697.1 kJ/mol ZPE= 0.0456351
CONNECTIONS:
o EQ26 o EQ59
[ TS290 ] Animation C1 ENERGY= 668.1 kJ/mol
Energy+ZPE= 654.6 kJ/mol ZPE= 0.0458392
CONNECTIONS:
o EQ26 o EQ61
[ TS291 ] Animation Cs ENERGY= 418.3 kJ/mol
Energy+ZPE= 411.4 kJ/mol ZPE= 0.0483283
CONNECTIONS:
o EQ27 o EQ27
[ TS292 ] Animation C1 ENERGY= 565.4 kJ/mol
Energy+ZPE= 552.7 kJ/mol ZPE= 0.0461400
CONNECTIONS:
o EQ27 o EQ33
[ TS293 ] Animation C1 ENERGY= 424.9 kJ/mol
Energy+ZPE= 417.8 kJ/mol ZPE= 0.0482692
CONNECTIONS:
o EQ27 o EQ35
[ TS294 ] Animation C1 ENERGY= 628.4 kJ/mol
Energy+ZPE= 611.5 kJ/mol ZPE= 0.0445194
CONNECTIONS:
o EQ27 o EQ39
[ TS295 ] Animation C1 ENERGY= 607.4 kJ/mol
Energy+ZPE= 597.0 kJ/mol ZPE= 0.0470109
CONNECTIONS:
o EQ27 o EQ44
[ TS296 ] Animation C1 ENERGY= 643.8 kJ/mol
Energy+ZPE= 627.2 kJ/mol ZPE= 0.0446510
CONNECTIONS:
o EQ27 o EQ47
[ TS297 ] Animation C1 ENERGY= 648.4 kJ/mol
Energy+ZPE= 633.4 kJ/mol ZPE= 0.0452694
CONNECTIONS:
o EQ27 o EQ50
[ TS298 ] Animation Cs ENERGY= 622.5 kJ/mol
Energy+ZPE= 606.0 kJ/mol ZPE= 0.0446924
CONNECTIONS:
o EQ27 o EQ57
[ TS299 ] Animation C1 ENERGY= 638.5 kJ/mol
Energy+ZPE= 626.6 kJ/mol ZPE= 0.0464377
CONNECTIONS:
o EQ27 o EQ66
[ TS300 ] Animation C1 ENERGY= 651.4 kJ/mol
Energy+ZPE= 638.2 kJ/mol ZPE= 0.0459486
CONNECTIONS:
o EQ27 o EQ66
[ TS301 ] Animation C1 ENERGY= 664.8 kJ/mol
Energy+ZPE= 652.9 kJ/mol ZPE= 0.0464553
CONNECTIONS:
o EQ27 o EQ66
[ TS302 ] Animation C1 ENERGY= 571.3 kJ/mol
Energy+ZPE= 554.3 kJ/mol ZPE= 0.0445167
CONNECTIONS:
o EQ27 o DDC50
[ TS303 ] Animation C1 ENERGY= 579.5 kJ/mol
Energy+ZPE= 565.7 kJ/mol ZPE= 0.0457211
CONNECTIONS:
o EQ27 o DDC51
[ TS304 ] Animation C1 ENERGY= 681.3 kJ/mol
Energy+ZPE= 662.7 kJ/mol ZPE= 0.0438730
CONNECTIONS:
o EQ27 o DDC52
[ TS305 ] Animation C1 ENERGY= 688.4 kJ/mol
Energy+ZPE= 668.7 kJ/mol ZPE= 0.0434796
CONNECTIONS:
o EQ27 o DDC53
[ TS306 ] Animation C1 ENERGY= 540.2 kJ/mol
Energy+ZPE= 524.0 kJ/mol ZPE= 0.0448124
CONNECTIONS:
o EQ29 o EQ31
[ TS307 ] Animation Cs ENERGY= 522.8 kJ/mol
Energy+ZPE= 508.1 kJ/mol ZPE= 0.0453885
CONNECTIONS:
o EQ29 o EQ44
[ TS308 ] Animation C1 ENERGY= 535.6 kJ/mol
Energy+ZPE= 524.1 kJ/mol ZPE= 0.0465776
CONNECTIONS:
o EQ29 o DDC54
[ TS309 ] Animation C1 ENERGY= 542.2 kJ/mol
Energy+ZPE= 529.1 kJ/mol ZPE= 0.0459824
CONNECTIONS:
o EQ29 o DDC55
[ TS310 ] Animation C2v ENERGY= 949.3 kJ/mol
Energy+ZPE= 903.7 kJ/mol ZPE= 0.0336032
CONNECTIONS:
o EQ30 o EQ30
[ TS311 ] Animation Cs ENERGY= 557.4 kJ/mol
Energy+ZPE= 544.5 kJ/mol ZPE= 0.0460565
CONNECTIONS:
o EQ30 o EQ33
[ TS312 ] Animation C1 ENERGY= 590.8 kJ/mol
Energy+ZPE= 572.9 kJ/mol ZPE= 0.0441470
CONNECTIONS:
o EQ30 o EQ33
[ TS313 ] Animation C1 ENERGY= 544.7 kJ/mol
Energy+ZPE= 535.3 kJ/mol ZPE= 0.0473832
CONNECTIONS:
o EQ30 o EQ35
[ TS314 ] Animation C1 ENERGY= 891.5 kJ/mol
Energy+ZPE= 872.2 kJ/mol ZPE= 0.0436159
CONNECTIONS:
o EQ30 o EQ36
[ TS315 ] Animation Cs ENERGY= 665.2 kJ/mol
Energy+ZPE= 637.0 kJ/mol ZPE= 0.0402162
CONNECTIONS:
o EQ30 o EQ41
[ TS316 ] Animation C1 ENERGY= 578.6 kJ/mol
Energy+ZPE= 561.6 kJ/mol ZPE= 0.0444916
CONNECTIONS:
o EQ30 o EQ57
[ TS317 ] Animation C1 ENERGY= 605.5 kJ/mol
Energy+ZPE= 589.4 kJ/mol ZPE= 0.0448541
CONNECTIONS:
o EQ30 o EQ57
[ TS318 ] Animation Cs ENERGY= 601.8 kJ/mol
Energy+ZPE= 579.3 kJ/mol ZPE= 0.0424236
CONNECTIONS:
o EQ30 o DDC56
[ TS319 ] Animation Cs ENERGY= 602.8 kJ/mol
Energy+ZPE= 581.7 kJ/mol ZPE= 0.0429377
CONNECTIONS:
o EQ30 o DDC57
[ TS320 ] Animation Cs ENERGY= 670.0 kJ/mol
Energy+ZPE= 647.0 kJ/mol ZPE= 0.0422329
CONNECTIONS:
o EQ30 o DDC58
[ TS321 ] Animation Cs ENERGY= 689.3 kJ/mol
Energy+ZPE= 660.4 kJ/mol ZPE= 0.0399758
CONNECTIONS:
o EQ30 o DDC59
[ TS322 ] Animation C1 ENERGY= 529.6 kJ/mol
Energy+ZPE= 519.4 kJ/mol ZPE= 0.0470758
CONNECTIONS:
o EQ31 o EQ32
[ TS323 ] Animation C1 ENERGY= 654.4 kJ/mol
Energy+ZPE= 635.8 kJ/mol ZPE= 0.0439044
CONNECTIONS:
o EQ31 o EQ32
[ TS324 ] Animation C1 ENERGY= 696.3 kJ/mol
Energy+ZPE= 676.6 kJ/mol ZPE= 0.0434776
CONNECTIONS:
o EQ31 o EQ47
[ TS325 ] Animation C1 ENERGY= 468.9 kJ/mol
Energy+ZPE= 460.4 kJ/mol ZPE= 0.0477320
CONNECTIONS:
o EQ31 o EQ49
[ TS326 ] Animation C1 ENERGY= 660.3 kJ/mol
Energy+ZPE= 640.9 kJ/mol ZPE= 0.0436005
CONNECTIONS:
o EQ31 o EQ67
[ TS327 ] Animation C1 ENERGY= 768.6 kJ/mol
Energy+ZPE= 736.2 kJ/mol ZPE= 0.0386256
CONNECTIONS:
o EQ31 o DDC60
[ TS328 ] Animation Cs ENERGY= 452.4 kJ/mol
Energy+ZPE= 447.4 kJ/mol ZPE= 0.0490815
CONNECTIONS:
o EQ32 o EQ32
[ TS329 ] Animation Cs ENERGY= 684.9 kJ/mol
Energy+ZPE= 664.3 kJ/mol ZPE= 0.0431106
CONNECTIONS:
o EQ32 o EQ32
[ TS330 ] Animation C1 ENERGY= 421.8 kJ/mol
Energy+ZPE= 415.8 kJ/mol ZPE= 0.0486891
CONNECTIONS:
o EQ32 o EQ34
[ TS331 ] Animation C1 ENERGY= 625.0 kJ/mol
Energy+ZPE= 606.4 kJ/mol ZPE= 0.0438939
CONNECTIONS:
o EQ32 o EQ54
[ TS332 ] Animation C1 ENERGY= 645.4 kJ/mol
Energy+ZPE= 635.3 kJ/mol ZPE= 0.0471228
CONNECTIONS:
o EQ32 o EQ59
[ TS333 ] Animation Cs ENERGY= 635.5 kJ/mol
Energy+ZPE= 607.0 kJ/mol ZPE= 0.0401082
CONNECTIONS:
o EQ33 o EQ41
[ TS334 ] Animation C1 ENERGY= 583.3 kJ/mol
Energy+ZPE= 564.1 kJ/mol ZPE= 0.0436534
CONNECTIONS:
o EQ33 o EQ58
[ TS335 ] Animation C1 ENERGY= 573.1 kJ/mol
Energy+ZPE= 554.1 kJ/mol ZPE= 0.0437441
CONNECTIONS:
o EQ34 o DDC61
[ TS336 ] Animation C1 ENERGY= 661.6 kJ/mol
Energy+ZPE= 644.3 kJ/mol ZPE= 0.0443747
CONNECTIONS:
o EQ35 o EQ44
[ TS337 ] Animation C1 ENERGY= 642.1 kJ/mol
Energy+ZPE= 625.6 kJ/mol ZPE= 0.0447063
CONNECTIONS:
o EQ35 o EQ50
[ TS338 ] Animation C1 ENERGY= 735.0 kJ/mol
Energy+ZPE= 716.3 kJ/mol ZPE= 0.0438635
CONNECTIONS:
o EQ35 o EQ51
[ TS339 ] Animation C1 ENERGY= 584.5 kJ/mol
Energy+ZPE= 573.6 kJ/mol ZPE= 0.0468082
CONNECTIONS:
o EQ35 o EQ60
[ TS340 ] Animation Cs ENERGY= 618.8 kJ/mol
Energy+ZPE= 610.6 kJ/mol ZPE= 0.0478574
CONNECTIONS:
o EQ36 o EQ36
[ TS341 ] Animation C1 ENERGY= 635.7 kJ/mol
Energy+ZPE= 617.6 kJ/mol ZPE= 0.0440704
CONNECTIONS:
o EQ36 o EQ37
[ TS342 ] Animation C1 ENERGY= 557.9 kJ/mol
Energy+ZPE= 550.6 kJ/mol ZPE= 0.0482094
CONNECTIONS:
o EQ36 o EQ47
[ TS343 ] Animation C1 ENERGY= 584.6 kJ/mol
Energy+ZPE= 578.7 kJ/mol ZPE= 0.0487156
CONNECTIONS:
o EQ36 o EQ47
[ TS344 ] Animation Cs ENERGY= 661.9 kJ/mol
Energy+ZPE= 643.1 kJ/mol ZPE= 0.0438225
CONNECTIONS:
o EQ36 o EQ58
[ TS345 ] Animation C1 ENERGY= 856.1 kJ/mol
Energy+ZPE= 840.9 kJ/mol ZPE= 0.0451794
CONNECTIONS:
o EQ36 o EQ68
[ TS346 ] Animation C1 ENERGY= 883.8 kJ/mol
Energy+ZPE= 866.9 kJ/mol ZPE= 0.0445408
CONNECTIONS:
o EQ36 o EQ68
[ TS347 ] Animation C1 ENERGY= 891.1 kJ/mol
Energy+ZPE= 857.4 kJ/mol ZPE= 0.0381504
CONNECTIONS:
o EQ36 o DDC62
[ TS348 ] Animation Cs ENERGY= 422.7 kJ/mol
Energy+ZPE= 415.2 kJ/mol ZPE= 0.0481263
CONNECTIONS:
o EQ37 o EQ37
[ TS349 ] Animation Cs ENERGY= 493.7 kJ/mol
Energy+ZPE= 482.6 kJ/mol ZPE= 0.0467578
CONNECTIONS:
o EQ37 o EQ37
[ TS350 ] Animation C1 ENERGY= 600.6 kJ/mol
Energy+ZPE= 589.4 kJ/mol ZPE= 0.0467053
CONNECTIONS:
o EQ37 o EQ43
[ TS351 ] Animation C1 ENERGY= 645.6 kJ/mol
Energy+ZPE= 633.4 kJ/mol ZPE= 0.0463312
CONNECTIONS:
o EQ37 o EQ43
[ TS352 ] Animation C1 ENERGY= 849.4 kJ/mol
Energy+ZPE= 835.4 kJ/mol ZPE= 0.0456327
CONNECTIONS:
o EQ37 o EQ43
[ TS353 ] Animation C1 ENERGY= 705.0 kJ/mol
Energy+ZPE= 672.0 kJ/mol ZPE= 0.0384002
CONNECTIONS:
o EQ37 o DDC63
[ TS354 ] Animation C1 ENERGY= 577.2 kJ/mol
Energy+ZPE= 556.0 kJ/mol ZPE= 0.0429072
CONNECTIONS:
o EQ38 o EQ41
[ TS355 ] Animation Cs ENERGY= 695.3 kJ/mol
Energy+ZPE= 673.5 kJ/mol ZPE= 0.0426651
CONNECTIONS:
o EQ38 o EQ56
[ TS356 ] Animation Cs ENERGY= 645.3 kJ/mol
Energy+ZPE= 625.3 kJ/mol ZPE= 0.0433730
CONNECTIONS:
o EQ38 o EQ58
[ TS357 ] Animation Cs ENERGY= 418.8 kJ/mol
Energy+ZPE= 402.1 kJ/mol ZPE= 0.0446153
CONNECTIONS:
o EQ38 o DDC64
[ TS358 ] Animation Cs ENERGY= 516.2 kJ/mol
Energy+ZPE= 508.6 kJ/mol ZPE= 0.0480686
CONNECTIONS:
o EQ39 o EQ44
[ TS359 ] Animation C1 ENERGY= 525.2 kJ/mol
Energy+ZPE= 516.5 kJ/mol ZPE= 0.0476596
CONNECTIONS:
o EQ39 o EQ44
[ TS360 ] Animation C1 ENERGY= 582.2 kJ/mol
Energy+ZPE= 569.6 kJ/mol ZPE= 0.0461870
CONNECTIONS:
o EQ39 o EQ60
[ TS361 ] Animation Cs ENERGY= 447.2 kJ/mol
Energy+ZPE= 417.1 kJ/mol ZPE= 0.0395060
CONNECTIONS:
o EQ40 o DDC65
[ TS362 ] Animation Cs ENERGY= 541.0 kJ/mol
Energy+ZPE= 524.2 kJ/mol ZPE= 0.0445892
CONNECTIONS:
o EQ41 o EQ41
[ TS363 ] Animation C1 ENERGY= 855.2 kJ/mol
Energy+ZPE= 832.6 kJ/mol ZPE= 0.0423641
CONNECTIONS:
o EQ41 o EQ41
[ TS364 ] Animation C1 ENERGY= 740.4 kJ/mol
Energy+ZPE= 716.5 kJ/mol ZPE= 0.0418659
CONNECTIONS:
o EQ41 o EQ59
[ TS365 ] Animation C1 ENERGY= 757.6 kJ/mol
Energy+ZPE= 733.7 kJ/mol ZPE= 0.0418653
CONNECTIONS:
o EQ41 o EQ61
[ TS366 ] Animation Cs ENERGY= 438.8 kJ/mol
Energy+ZPE= 421.4 kJ/mol ZPE= 0.0443590
CONNECTIONS:
o EQ41 o DDC66
[ TS367 ] Animation C1 ENERGY= 659.1 kJ/mol
Energy+ZPE= 630.7 kJ/mol ZPE= 0.0401457
CONNECTIONS:
o EQ41 o DDC67
[ TS368 ] Animation C1 ENERGY= 735.0 kJ/mol
Energy+ZPE= 712.8 kJ/mol ZPE= 0.0425119
CONNECTIONS:
o EQ42 o EQ66
[ TS369 ] Animation C1 ENERGY= 605.6 kJ/mol
Energy+ZPE= 588.5 kJ/mol ZPE= 0.0444524
CONNECTIONS:
o EQ42 o DDC68
[ TS370 ] Animation Cs ENERGY= 429.2 kJ/mol
Energy+ZPE= 423.6 kJ/mol ZPE= 0.0488577
CONNECTIONS:
o EQ43 o EQ43
[ TS371 ] Animation C1 ENERGY= 875.3 kJ/mol
Energy+ZPE= 858.5 kJ/mol ZPE= 0.0445751
CONNECTIONS:
o EQ43 o EQ49
[ TS372 ] Animation C1 ENERGY= 795.5 kJ/mol
Energy+ZPE= 780.5 kJ/mol ZPE= 0.0452619
CONNECTIONS:
o EQ43 o EQ69
[ TS373 ] Animation C1 ENERGY= 828.9 kJ/mol
Energy+ZPE= 793.9 kJ/mol ZPE= 0.0376510
CONNECTIONS:
o EQ43 o DDC69
[ TS374 ] Animation C1 ENERGY= 697.9 kJ/mol
Energy+ZPE= 683.2 kJ/mol ZPE= 0.0453920
CONNECTIONS:
o EQ44 o EQ58
[ TS375 ] Animation C1 ENERGY= 734.6 kJ/mol
Energy+ZPE= 719.1 kJ/mol ZPE= 0.0450895
CONNECTIONS:
o EQ44 o EQ58
[ TS376 ] Animation Cs ENERGY= 582.1 kJ/mol
Energy+ZPE= 571.1 kJ/mol ZPE= 0.0467877
CONNECTIONS:
o EQ44 o EQ62
[ TS377 ] Animation C1 ENERGY= 660.8 kJ/mol
Energy+ZPE= 641.8 kJ/mol ZPE= 0.0437531
CONNECTIONS:
o EQ44 o EQ67
[ TS378 ] Animation Cs ENERGY= 433.5 kJ/mol
Energy+ZPE= 419.3 kJ/mol ZPE= 0.0455648
CONNECTIONS:
o EQ45 o EQ45
[ TS379 ] Animation C1 ENERGY= 468.0 kJ/mol
Energy+ZPE= 456.4 kJ/mol ZPE= 0.0465690
CONNECTIONS:
o EQ45 o EQ49
[ TS380 ] Animation C1 ENERGY= 576.4 kJ/mol
Energy+ZPE= 551.0 kJ/mol ZPE= 0.0413007
CONNECTIONS:
o EQ45 o DDC70
[ TS381 ] Animation Cs ENERGY= 617.1 kJ/mol
Energy+ZPE= 589.0 kJ/mol ZPE= 0.0402887
CONNECTIONS:
o EQ45 o DDC71
[ TS382 ] Animation C1 ENERGY= 476.0 kJ/mol
Energy+ZPE= 463.7 kJ/mol ZPE= 0.0462807
CONNECTIONS:
o EQ46 o EQ49
[ TS383 ] Animation Cs ENERGY= 611.5 kJ/mol
Energy+ZPE= 580.7 kJ/mol ZPE= 0.0392284
CONNECTIONS:
o EQ46 o DDC72
[ TS384 ] Animation Cs ENERGY= 510.6 kJ/mol
Energy+ZPE= 503.3 kJ/mol ZPE= 0.0481938
CONNECTIONS:
o EQ47 o EQ47
[ TS385 ] Animation C1 ENERGY= 586.6 kJ/mol
Energy+ZPE= 580.2 kJ/mol ZPE= 0.0485519
CONNECTIONS:
o EQ47 o EQ47
[ TS386 ] Animation C1 ENERGY= 609.1 kJ/mol
Energy+ZPE= 600.5 kJ/mol ZPE= 0.0477124
CONNECTIONS:
o EQ47 o EQ47
[ TS387 ] Animation C1 ENERGY= 760.6 kJ/mol
Energy+ZPE= 741.1 kJ/mol ZPE= 0.0435501
CONNECTIONS:
o EQ47 o EQ60
[ TS388 ] Animation C1 ENERGY= 750.2 kJ/mol
Energy+ZPE= 730.5 kJ/mol ZPE= 0.0434700
CONNECTIONS:
o EQ47 o EQ68
[ TS389 ] Animation C1 ENERGY= 786.6 kJ/mol
Energy+ZPE= 766.5 kJ/mol ZPE= 0.0433205
CONNECTIONS:
o EQ47 o EQ68
[ TS390 ] Animation C1 ENERGY= 862.9 kJ/mol
Energy+ZPE= 831.3 kJ/mol ZPE= 0.0389558
CONNECTIONS:
o EQ47 o DDC73
[ TS391 ] Animation C1 ENERGY= 466.8 kJ/mol
Energy+ZPE= 451.3 kJ/mol ZPE= 0.0450840
CONNECTIONS:
o EQ48 o DDC74
[ TS392 ] Animation C1 ENERGY= 544.5 kJ/mol
Energy+ZPE= 527.1 kJ/mol ZPE= 0.0443547
CONNECTIONS:
o EQ48 o DDC75
[ TS393 ] Animation C2v ENERGY= 512.1 kJ/mol
Energy+ZPE= 506.8 kJ/mol ZPE= 0.0489746
CONNECTIONS:
o EQ50 o EQ50
[ TS394 ] Animation C1 ENERGY= 643.2 kJ/mol
Energy+ZPE= 629.3 kJ/mol ZPE= 0.0456935
CONNECTIONS:
o EQ50 o EQ52
[ TS395 ] Animation C1 ENERGY= 526.7 kJ/mol
Energy+ZPE= 518.2 kJ/mol ZPE= 0.0477467
CONNECTIONS:
o EQ50 o DDC76
[ TS396 ] Animation Cs ENERGY= 842.3 kJ/mol
Energy+ZPE= 810.1 kJ/mol ZPE= 0.0387092
CONNECTIONS:
o EQ50 o DDC77
[ TS397 ] Animation C2v ENERGY= 578.8 kJ/mol
Energy+ZPE= 575.3 kJ/mol ZPE= 0.0496346
CONNECTIONS:
o EQ51 o EQ51
[ TS398 ] Animation Cs ENERGY= 871.0 kJ/mol
Energy+ZPE= 838.2 kJ/mol ZPE= 0.0384812
CONNECTIONS:
o EQ51 o DDC78
[ TS399 ] Animation Cs ENERGY= 641.4 kJ/mol
Energy+ZPE= 634.0 kJ/mol ZPE= 0.0481676
CONNECTIONS:
o EQ52 o EQ55
[ TS400 ] Animation C1 ENERGY= 547.3 kJ/mol
Energy+ZPE= 538.1 kJ/mol ZPE= 0.0474527
CONNECTIONS:
o EQ53 o EQ54
[ TS401 ] Animation C1 ENERGY= 743.8 kJ/mol
Energy+ZPE= 724.7 kJ/mol ZPE= 0.0437052
CONNECTIONS:
o EQ53 o EQ66
[ TS402 ] Animation Cs ENERGY= 575.2 kJ/mol
Energy+ZPE= 564.1 kJ/mol ZPE= 0.0467371
CONNECTIONS:
o EQ54 o EQ54
[ TS403 ] Animation C1 ENERGY= 627.6 kJ/mol
Energy+ZPE= 618.9 kJ/mol ZPE= 0.0476554
CONNECTIONS:
o EQ54 o EQ57
[ TS404 ] Animation C1 ENERGY= 755.5 kJ/mol
Energy+ZPE= 736.1 kJ/mol ZPE= 0.0435900
CONNECTIONS:
o EQ54 o DDC79
[ TS405 ] Animation C1 ENERGY= 563.2 kJ/mol
Energy+ZPE= 552.3 kJ/mol ZPE= 0.0468177
CONNECTIONS:
o EQ56 o EQ57
[ TS406 ] Animation Cs ENERGY= 625.2 kJ/mol
Energy+ZPE= 603.6 kJ/mol ZPE= 0.0427370
CONNECTIONS:
o EQ56 o DDC80
[ TS407 ] Animation Cs ENERGY= 814.5 kJ/mol
Energy+ZPE= 781.3 kJ/mol ZPE= 0.0383349
CONNECTIONS:
o EQ56 o DDC81
[ TS408 ] Animation Cs ENERGY= 573.9 kJ/mol
Energy+ZPE= 561.6 kJ/mol ZPE= 0.0462823
CONNECTIONS:
o EQ57 o EQ57
[ TS409 ] Animation C1 ENERGY= 687.0 kJ/mol
Energy+ZPE= 674.8 kJ/mol ZPE= 0.0463129
CONNECTIONS:
o EQ57 o EQ60
[ TS410 ] Animation C1 ENERGY= 682.3 kJ/mol
Energy+ZPE= 669.1 kJ/mol ZPE= 0.0459586
CONNECTIONS:
o EQ58 o EQ66
[ TS411 ] Animation C1 ENERGY= 872.1 kJ/mol
Energy+ZPE= 833.2 kJ/mol ZPE= 0.0361505
CONNECTIONS:
o EQ58 o DDC82
[ TS412 ] Animation Cs ENERGY= 577.3 kJ/mol
Energy+ZPE= 564.6 kJ/mol ZPE= 0.0461385
CONNECTIONS:
o EQ59 o EQ59
[ TS413 ] Animation C1 ENERGY= 718.9 kJ/mol
Energy+ZPE= 699.9 kJ/mol ZPE= 0.0437387
CONNECTIONS:
o EQ59 o DDC83
[ TS414 ] Animation Cs ENERGY= 637.4 kJ/mol
Energy+ZPE= 621.4 kJ/mol ZPE= 0.0448693
CONNECTIONS:
o EQ60 o EQ60
[ TS415 ] Animation C1 ENERGY= 580.7 kJ/mol
Energy+ZPE= 568.2 kJ/mol ZPE= 0.0462033
CONNECTIONS:
o EQ60 o EQ62
[ TS416 ] Animation C1 ENERGY= 656.4 kJ/mol
Energy+ZPE= 641.4 kJ/mol ZPE= 0.0452494
CONNECTIONS:
o EQ60 o EQ67
[ TS417 ] Animation C1 ENERGY= 668.2 kJ/mol
Energy+ZPE= 655.2 kJ/mol ZPE= 0.0460118
CONNECTIONS:
o EQ60 o DDC84
[ TS418 ] Animation C1 ENERGY= 765.6 kJ/mol
Energy+ZPE= 734.1 kJ/mol ZPE= 0.0389947
CONNECTIONS:
o EQ60 o DDC85
[ TS419 ] Animation C1 ENERGY= 746.7 kJ/mol
Energy+ZPE= 727.7 kJ/mol ZPE= 0.0437456
CONNECTIONS:
o EQ61 o DDC86
[ TS420 ] Animation Cs ENERGY= 584.0 kJ/mol
Energy+ZPE= 576.9 kJ/mol ZPE= 0.0482786
CONNECTIONS:
o EQ63 o EQ63
[ TS421 ] Animation C1 ENERGY= 780.9 kJ/mol
Energy+ZPE= 753.0 kJ/mol ZPE= 0.0403559
CONNECTIONS:
o EQ63 o DDC87
[ TS422 ] Animation C1 ENERGY= 612.0 kJ/mol
Energy+ZPE= 608.4 kJ/mol ZPE= 0.0495879
CONNECTIONS:
o EQ64 o EQ64
[ TS423 ] Animation C1 ENERGY= 630.2 kJ/mol
Energy+ZPE= 614.5 kJ/mol ZPE= 0.0449907
CONNECTIONS:
o EQ64 o DDC88
[ TS424 ] Animation C1 ENERGY= 700.2 kJ/mol
Energy+ZPE= 686.5 kJ/mol ZPE= 0.0457384
CONNECTIONS:
o EQ64 o DDC89
[ TS425 ] Animation Cs ENERGY= 742.4 kJ/mol
Energy+ZPE= 730.4 kJ/mol ZPE= 0.0464033
CONNECTIONS:
o EQ64 o DDC90
[ TS426 ] Animation C1 ENERGY= 814.8 kJ/mol
Energy+ZPE= 786.0 kJ/mol ZPE= 0.0399949
CONNECTIONS:
o EQ64 o DDC91
[ TS427 ] Animation C1 ENERGY= 654.7 kJ/mol
Energy+ZPE= 640.9 kJ/mol ZPE= 0.0457245
CONNECTIONS:
o EQ67 o DDC92
[ TS428 ] Animation Cs ENERGY= 718.7 kJ/mol
Energy+ZPE= 710.2 kJ/mol ZPE= 0.0477520
CONNECTIONS:
o EQ68 o EQ68
[ TS429 ] Animation Cs ENERGY= 785.4 kJ/mol
Energy+ZPE= 773.4 kJ/mol ZPE= 0.0464039
CONNECTIONS:
o EQ69 o EQ69
[ TS430 ] Animation Cs ENERGY= 744.2 kJ/mol
Energy+ZPE= 725.0 kJ/mol ZPE= 0.0436747
CONNECTIONS:
o DDC94 o DDC93
[ DDC0 ]
Cs ENERGY= 430.1 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS32 o EQ0
[ DDC1 ]
Cs ENERGY= 444.6 kJ/mol
FRAGMENTS:
HCN H2C2
CONNECTIONS:
o TS58 o EQ1
[ DDC2 ]
Cs ENERGY= 291.4 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS59 o EQ1
[ DDC3 ]
Cs ENERGY= 540.2 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS60 o EQ1
[ DDC4 ]
Cs ENERGY= 541.3 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS61 o EQ1
[ DDC5 ]
C1 ENERGY= 277.7 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS62 o EQ1
[ DDC6 ]
Cs ENERGY= 423.4 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS83 o EQ2
[ DDC7 ]
Cs ENERGY= 421.9 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS84 o EQ2
[ DDC8 ]
C1 ENERGY= 467.7 kJ/mol
FRAGMENTS:
HCN H2C2
CONNECTIONS:
o TS85 o EQ2
[ DDC9 ]
Cs ENERGY= 292.4 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS102 o EQ3
[ DDC10 ]
Cs ENERGY= 305.9 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS123 o EQ4
[ DDC11 ]
Cs ENERGY= 337.1 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS138 o EQ5
[ DDC12 ]
Cs ENERGY= 548.3 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS139 o EQ5
[ DDC13 ]
Cs ENERGY= 378.5 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS148 o EQ6
[ DDC14 ]
C1 ENERGY= 274.4 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS149 o EQ6
[ DDC15 ]
Cs ENERGY= 611.4 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS150 o EQ6
[ DDC16 ]
Cs ENERGY= 475.3 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS172 o EQ8
[ DDC17 ]
Cs ENERGY= 485.4 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS173 o EQ8
[ DDC18 ]
Cs ENERGY= 384.1 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS180 o EQ9
[ DDC19 ]
C1 ENERGY= 480.5 kJ/mol
FRAGMENTS:
HCN H2C2
CONNECTIONS:
o TS181 o EQ9
[ DDC20 ]
Cs ENERGY= 362.5 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS182 o EQ9
[ DDC21 ]
C1 ENERGY= 460.6 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS199 o EQ10
[ DDC22 ]
C1 ENERGY= 465.2 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS200 o EQ10
[ DDC23 ]
Cs ENERGY= 636.5 kJ/mol
FRAGMENTS:
C3 H3N
CONNECTIONS:
o TS201 o EQ10
[ DDC24 ]
Cs ENERGY= 236.1 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS206 o EQ11
[ DDC25 ]
Cs ENERGY= 266.9 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS207 o EQ11
[ DDC26 ]
Cs ENERGY= 351.3 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS217 o EQ12
[ DDC27 ]
C1 ENERGY= 269.9 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS226 o EQ13
[ DDC28 ]
Cs ENERGY= 253.4 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS227 o EQ13
[ DDC29 ]
Cs ENERGY= 433.3 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS236 o EQ14
[ DDC30 ]
Cs ENERGY= 592.6 kJ/mol
FRAGMENTS:
C3 H3N
CONNECTIONS:
o TS237 o EQ14
[ DDC31 ]
C1 ENERGY= 614.1 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS238 o EQ14
[ DDC32 ]
Cs ENERGY= 344.8 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS245 o EQ15
[ DDC33 ]
Cs ENERGY= 373.2 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS246 o EQ15
[ DDC34 ]
C1 ENERGY= 274.2 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS251 o EQ16
[ DDC35 ]
C1 ENERGY= 271.6 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS252 o EQ16
[ DDC36 ]
Cs ENERGY= 293.4 kJ/mol
FRAGMENTS:
HCN H2C2
CONNECTIONS:
o TS258 o EQ17
[ DDC37 ]
C1 ENERGY= 274.0 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS259 o EQ17
[ DDC38 ]
C1 ENERGY= 451.2 kJ/mol
FRAGMENTS:
HCN H2C2
CONNECTIONS:
o TS266 o EQ19
[ DDC39 ]
C1 ENERGY= 429.6 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS267 o EQ19
[ DDC40 ]
Cs ENERGY= 732.3 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS268 o EQ19
[ DDC41 ]
C1 ENERGY= 275.9 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS269 o EQ20
[ DDC42 ]
Cs ENERGY= 440.8 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS271 o EQ21
[ DDC43 ]
Cs ENERGY= 258.7 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS274 o EQ22
[ DDC44 ]
C1 ENERGY= 254.5 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS275 o EQ22
[ DDC45 ]
C1 ENERGY= 229.6 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS276 o EQ22
[ DDC46 ]
Cs ENERGY= 242.8 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS278 o EQ23
[ DDC47 ]
Cs ENERGY= 241.0 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS282 o EQ24
[ DDC48 ]
C1 ENERGY= 266.9 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS283 o EQ24
[ DDC49 ]
Cs ENERGY= 443.8 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS286 o EQ25
[ DDC50 ]
C1 ENERGY= 333.6 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS302 o EQ27
[ DDC51 ]
C1 ENERGY= 414.8 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS303 o EQ27
[ DDC52 ]
C1 ENERGY= 417.7 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS304 o EQ27
[ DDC53 ]
C1 ENERGY= 423.3 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS305 o EQ27
[ DDC54 ]
C1 ENERGY= 270.3 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS308 o EQ29
[ DDC55 ]
C1 ENERGY= 272.4 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS309 o EQ29
[ DDC56 ]
Cs ENERGY= 269.5 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS318 o EQ30
[ DDC57 ]
Cs ENERGY= 228.9 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS319 o EQ30
[ DDC58 ]
Cs ENERGY= 324.9 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS320 o EQ30
[ DDC59 ]
Cs ENERGY= 312.2 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS321 o EQ30
[ DDC60 ]
C1 ENERGY= 673.7 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS327 o EQ31
[ DDC61 ]
C1 ENERGY= 296.0 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS335 o EQ34
[ DDC62 ]
C1 ENERGY= 746.2 kJ/mol
FRAGMENTS:
HC2N H2C
CONNECTIONS:
o TS347 o EQ36
[ DDC63 ]
C1 ENERGY= 539.1 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS353 o EQ37
[ DDC64 ]
Cs ENERGY= 233.6 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS357 o EQ38
[ DDC65 ]
Cs ENERGY= 295.7 kJ/mol
FRAGMENTS:
HCN H2C2
CONNECTIONS:
o TS361 o EQ40
[ DDC66 ]
Cs ENERGY= 242.6 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS366 o EQ41
[ DDC67 ]
C1 ENERGY= 359.0 kJ/mol
FRAGMENTS:
HCN H2C2
CONNECTIONS:
o TS367 o EQ41
[ DDC68 ]
C1 ENERGY= 293.4 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS369 o EQ42
[ DDC69 ]
C1 ENERGY= 680.3 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS373 o EQ43
[ DDC70 ]
C1 ENERGY= 303.3 kJ/mol
FRAGMENTS:
HCN H2C2
CONNECTIONS:
o TS380 o EQ45
[ DDC71 ]
Cs ENERGY= 363.4 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS381 o EQ45
[ DDC72 ]
Cs ENERGY= 346.4 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS383 o EQ46
[ DDC73 ]
C1 ENERGY= 744.9 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS390 o EQ47
[ DDC74 ]
C1 ENERGY= 273.5 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS391 o EQ48
[ DDC75 ]
C1 ENERGY= 270.8 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS392 o EQ48
[ DDC76 ]
C1 ENERGY= 475.2 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS395 o EQ50
[ DDC77 ]
Cs ENERGY= 807.6 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS396 o EQ50
[ DDC78 ]
Cs ENERGY= 678.9 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS398 o EQ51
[ DDC79 ]
C1 ENERGY= 412.7 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS404 o EQ54
[ DDC80 ]
Cs ENERGY= 280.4 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS406 o EQ56
[ DDC81 ]
Cs ENERGY= 712.8 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS407 o EQ56
[ DDC82 ]
C1 ENERGY= 626.5 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS411 o EQ58
[ DDC83 ]
C1 ENERGY= 401.9 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS413 o EQ59
[ DDC84 ]
C1 ENERGY= 407.9 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS417 o EQ60
[ DDC85 ]
C1 ENERGY= 645.6 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS418 o EQ60
[ DDC86 ]
C1 ENERGY= 452.9 kJ/mol
FRAGMENTS:
H2C2 HCN
CONNECTIONS:
o TS419 o EQ61
[ DDC87 ]
C1 ENERGY= 435.3 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS421 o EQ63
[ DDC88 ]
C1 ENERGY= 620.4 kJ/mol
FRAGMENTS:
C3 H3N
CONNECTIONS:
o TS423 o EQ64
[ DDC89 ]
C1 ENERGY= 602.1 kJ/mol
FRAGMENTS:
C3 H3N
CONNECTIONS:
o TS424 o EQ64
[ DDC90 ]
C1 ENERGY= 624.9 kJ/mol
FRAGMENTS:
C3 H3N
CONNECTIONS:
o TS425 o EQ64
[ DDC91 ]
C1 ENERGY= 534.4 kJ/mol
FRAGMENTS:
HC3N H H
CONNECTIONS:
o TS426 o EQ64
[ DDC92 ]
C1 ENERGY= 422.5 kJ/mol
FRAGMENTS:
H3C3N
CONNECTIONS:
o TS427 o EQ67
[ DDC93 ]
C1 ENERGY= 623.3 kJ/mol
FRAGMENTS:
C3 H3N
CONNECTIONS:
o TS430 o DDC94
[ DDC94 ]
C1 ENERGY= 609.5 kJ/mol
FRAGMENTS:
C3 H3N
CONNECTIONS:
o TS430 o DDC93
[ UDC0 ]
Cs ENERGY= 515.0 kJ/mol
FRAGMENTS:
H3C2 CN
CONNECTIONS:
o EQ0 o
[ UDC1 ]
Cs ENERGY= 518.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ0 o
[ UDC2 ]
Cs ENERGY= 554.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ0 o
[ UDC3 ]
Cs ENERGY= 556.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ0 o
[ UDC4 ]
Cs ENERGY= 595.4 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ1 o
[ UDC5 ]
Cs ENERGY= 632.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ1 o
[ UDC6 ]
Cs ENERGY= 679.4 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ1 o
[ UDC7 ]
Cs ENERGY= 540.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ2 o
[ UDC8 ]
Cs ENERGY= 615.4 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ2 o
[ UDC9 ]
Cs ENERGY= 618.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ2 o
[ UDC10 ]
C1 ENERGY= 891.2 kJ/mol
FRAGMENTS:
HC2N H2C
CONNECTIONS:
o EQ2 o
[ UDC11 ]
Cs ENERGY= 894.3 kJ/mol
FRAGMENTS:
H2C3 HN
CONNECTIONS:
o EQ2 o
[ UDC12 ]
Cs ENERGY= 620.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ3 o
[ UDC13 ]
Cs ENERGY= 639.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ3 o
[ UDC14 ]
Cs ENERGY= 795.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ3 o
[ UDC15 ]
Cs ENERGY= 601.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ4 o
[ UDC16 ]
Cs ENERGY= 643.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ4 o
[ UDC17 ]
C1 ENERGY= 809.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ4 o
[ UDC18 ]
Cs ENERGY= 657.9 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ5 o
[ UDC19 ]
Cs ENERGY= 803.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ5 o
[ UDC20 ]
Cs ENERGY= 707.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ6 o
[ UDC21 ]
Cs ENERGY= 723.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ6 o
[ UDC22 ]
Cs ENERGY= 729.2 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ6 o
[ UDC23 ]
Cs ENERGY= 662.2 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ7 o
[ UDC24 ]
Cs ENERGY= 698.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ7 o
[ UDC25 ]
Cs ENERGY= 698.2 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ7 o
[ UDC26 ]
C1 ENERGY= 734.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ8 o
[ UDC27 ]
Cs ENERGY= 646.9 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ9 o
[ UDC28 ]
Cs ENERGY= 718.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ10 o
[ UDC29 ]
Cs ENERGY= 771.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ10 o
[ UDC30 ]
Cs ENERGY= 634.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ12 o
[ UDC31 ]
Cs ENERGY= 834.2 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ12 o
[ UDC32 ]
Cs ENERGY= 781.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ13 o
[ UDC33 ]
Cs ENERGY= 794.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ13 o
[ UDC34 ]
Cs ENERGY= 809.6 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ13 o
[ UDC35 ]
Cs ENERGY= 753.4 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ14 o
[ UDC36 ]
Cs ENERGY= 808.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ14 o
[ UDC37 ]
C1 ENERGY= 1159.5 kJ/mol
FRAGMENTS:
C H3C2N
CONNECTIONS:
o EQ14 o
[ UDC38 ]
C1 ENERGY= 769.8 kJ/mol
FRAGMENTS:
C H3C2N
CONNECTIONS:
o EQ15 o
[ UDC39 ]
Cs ENERGY= 795.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ16 o
[ UDC40 ]
C1 ENERGY= 696.4 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ17 o
[ UDC41 ]
Cs ENERGY= 817.4 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ18 o
[ UDC42 ]
C1 ENERGY= 1164.4 kJ/mol
FRAGMENTS:
C H3C2N
CONNECTIONS:
o EQ18 o
[ UDC43 ]
C1 ENERGY= 755.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ19 o
[ UDC44 ]
Cs ENERGY= 851.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ19 o
[ UDC45 ]
Cs ENERGY= 863.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ19 o
[ UDC46 ]
Cs ENERGY= 795.6 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ21 o
[ UDC47 ]
Cs ENERGY= 838.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ21 o
[ UDC48 ]
C1 ENERGY= 1162.5 kJ/mol
FRAGMENTS:
H3C2N C
CONNECTIONS:
o EQ21 o
[ UDC49 ]
C1 ENERGY= 823.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ22 o
[ UDC50 ]
Cs ENERGY= 824.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ23 o
[ UDC51 ]
C1 ENERGY= 1166.5 kJ/mol
FRAGMENTS:
H3C2N C
CONNECTIONS:
o EQ23 o
[ UDC52 ]
C1 ENERGY= 775.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ24 o
[ UDC53 ]
Cs ENERGY= 792.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ25 o
[ UDC54 ]
Cs ENERGY= 830.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ25 o
[ UDC55 ]
Cs ENERGY= 848.4 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ26 o
[ UDC56 ]
Cs ENERGY= 871.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ26 o
[ UDC57 ]
C1 ENERGY= 789.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ27 o
[ UDC58 ]
C1 ENERGY= 796.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ27 o
[ UDC59 ]
C1 ENERGY= 922.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ27 o
[ UDC60 ]
C1 ENERGY= 833.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ28 o
[ UDC61 ]
Cs ENERGY= 949.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ29 o
[ UDC62 ]
Cs ENERGY= 733.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ30 o
[ UDC63 ]
Cs ENERGY= 802.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ30 o
[ UDC64 ]
Cs ENERGY= 995.2 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ30 o
[ UDC65 ]
C1 ENERGY= 861.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ31 o
[ UDC66 ]
C1 ENERGY= 863.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ31 o
[ UDC67 ]
C1 ENERGY= 863.9 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ31 o
[ UDC68 ]
C1 ENERGY= 853.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ32 o
[ UDC69 ]
C1 ENERGY= 908.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ32 o
[ UDC70 ]
Cs ENERGY= 689.9 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ33 o
[ UDC71 ]
Cs ENERGY= 802.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ33 o
[ UDC72 ]
C1 ENERGY= 1023.9 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ33 o
[ UDC73 ]
C1 ENERGY= 848.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ34 o
[ UDC74 ]
C1 ENERGY= 836.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ35 o
[ UDC75 ]
C1 ENERGY= 847.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ35 o
[ UDC76 ]
C1 ENERGY= 935.4 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ35 o
[ UDC77 ]
Cs ENERGY= 781.2 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ36 o
[ UDC78 ]
Cs ENERGY= 785.6 kJ/mol
FRAGMENTS:
C2 H3CN
CONNECTIONS:
o EQ36 o
[ UDC79 ]
Cs ENERGY= 956.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ36 o
[ UDC80 ]
Cs ENERGY= 978.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ36 o
[ UDC81 ]
C1 ENERGY= 867.4 kJ/mol
FRAGMENTS:
H3C2N C
CONNECTIONS:
o EQ37 o
[ UDC82 ]
Cs ENERGY= 792.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ38 o
[ UDC83 ]
Cs ENERGY= 838.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ38 o
[ UDC84 ]
Cs ENERGY= 790.2 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ39 o
[ UDC85 ]
C1 ENERGY= 909.9 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ39 o
[ UDC86 ]
C2v ENERGY= 437.9 kJ/mol
FRAGMENTS:
HCN H2C2
CONNECTIONS:
o EQ40 o
[ UDC87 ]
Cs ENERGY= 805.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ41 o
[ UDC88 ]
Cs ENERGY= 857.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ41 o
[ UDC89 ]
C1 ENERGY= 911.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ43 o
[ UDC90 ]
C1 ENERGY= 928.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ43 o
[ UDC91 ]
Cs ENERGY= 837.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ44 o
[ UDC92 ]
C1 ENERGY= 925.9 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ44 o
[ UDC93 ]
C1 ENERGY= 897.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ45 o
[ UDC94 ]
C1 ENERGY= 895.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ46 o
[ UDC95 ]
C1 ENERGY= 863.0 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ47 o
[ UDC96 ]
C1 ENERGY= 931.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ47 o
[ UDC97 ]
C1 ENERGY= 912.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ49 o
[ UDC98 ]
C1 ENERGY= 894.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ50 o
[ UDC99 ]
Cs ENERGY= 1081.9 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ51 o
[ UDC100 ]
Cs ENERGY= 976.1 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ52 o
[ UDC101 ]
Cs ENERGY= 985.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ55 o
[ UDC102 ]
Cs ENERGY= 1297.2 kJ/mol
FRAGMENTS:
C H3C2N
CONNECTIONS:
o EQ56 o
[ UDC103 ]
Cs ENERGY= 980.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ58 o
[ UDC104 ]
Cs ENERGY= 1295.5 kJ/mol
FRAGMENTS:
C H3C2N
CONNECTIONS:
o EQ58 o
[ UDC105 ]
Cs ENERGY= 1260.2 kJ/mol
FRAGMENTS:
C H3C2N
CONNECTIONS:
o EQ63 o
[ UDC106 ]
C1 ENERGY= 1056.8 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ65 o
[ UDC107 ]
C1 ENERGY= 1023.5 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ66 o
[ UDC108 ]
C1 ENERGY= 995.3 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ68 o
[ UDC109 ]
C1 ENERGY= 1074.7 kJ/mol
FRAGMENTS:
H2C3N H
CONNECTIONS:
o EQ68 o
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