Reaction Routes of
H3C3N
Explored by
_
G_ R_ R_ M

at the Level of B3LYP/6-31G*

© 2009 Koichi OHNO


Explored: EQ70 TS431
[ EQ0 ]
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
[ EQ1 ]
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
[ EQ2 ]
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
[ EQ3 ]
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
[ EQ4 ]
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
[ EQ5 ]
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
[ EQ6 ]
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
[ EQ7 ]
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
[ EQ8 ]
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
[ EQ9 ]
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
[ EQ10 ]
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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