Reaction Routes of
H4CN2O
Explored by
_
G_ R_ R_ M

at the Level of B3LYP/6-31G*

© 2009 Koichi OHNO


Explored: EQ303 TS2158
[ EQ0 ]
C2 ENERGY= 0.0 kJ/mol ( -225.2604580 Hartree) Energy+ZPE= 0.0 kJ/mol ZPE= 0.0641310 CONNECTIONS: o TS0 ( 34.2) o EQ0 o TS1 ( 5.8) o EQ1 o TS2 ( 61.2) o EQ1 o TS3 (203.4) o EQ3 o TS4 (555.4) o EQ64 o TS5 (553.1) o EQ67 o TS6 (568.8) o EQ106 o TS7 (650.5) o EQ106 o TS8 (210.6) o DDC0
[ EQ1 ]
Cs ENERGY= 5.7 kJ/mol ( -225.2582714 Hartree) Energy+ZPE= 3.1 kJ/mol ZPE= 0.0631514 CONNECTIONS: o TS1 ( 5.8) o EQ0 o TS2 ( 61.2) o EQ0 o TS9 (546.3) o EQ64 o TS10 (561.8) o EQ67 o TS11 (546.4) o EQ68 o UDC0 o
[ EQ2 ]
C1 ENERGY= 43.9 kJ/mol ( -225.2437231 Hartree) Energy+ZPE= 31.2 kJ/mol ZPE= 0.0593017 CONNECTIONS: o TS12 (528.8) o EQ9
[ EQ3 ]
C1 ENERGY= 75.1 kJ/mol ( -225.2318437 Hartree) Energy+ZPE= 73.7 kJ/mol ZPE= 0.0635856 CONNECTIONS: o TS3 (203.4) o EQ0 o TS13 ( 77.9) o EQ3 o TS14 (104.6) o EQ3 o TS15 (121.3) o EQ3 o TS16 (162.6) o EQ4 o TS17 (116.8) o EQ6 o TS18 (629.8) o EQ19 o TS19 (568.9) o EQ21 o TS20 (575.3) o EQ21 o TS21 (562.0) o EQ78 o TS22 (614.7) o EQ85 o TS23 (581.5) o EQ89 o TS24 (602.4) o EQ105 o TS25 (340.5) o DDC1 o TS26 (371.8) o DDC2 o TS27 (535.1) o DDC3 o UDC1 o
[ EQ4 ]
C1 ENERGY= 85.1 kJ/mol ( -225.2280561 Hartree) Energy+ZPE= 82.9 kJ/mol ZPE= 0.0632759 CONNECTIONS: o TS16 (162.6) o EQ3 o TS28 ( 88.2) o EQ4 o TS29 (129.9) o EQ4 o TS30 (132.3) o EQ4 o TS31 (104.3) o EQ5 o TS32 (288.1) o EQ5 o TS33 (723.8) o EQ26 o TS34 (604.4) o EQ88 o TS35 (571.4) o EQ98 o TS36 (539.7) o EQ109 o TS37 (557.1) o EQ109 o TS38 (697.3) o EQ120 o TS39 (330.9) o DDC4 o TS40 (561.1) o DDC5 o UDC2 o
[ EQ5 ]
C1 ENERGY= 88.8 kJ/mol ( -225.2266354 Hartree) Energy+ZPE= 87.5 kJ/mol ZPE= 0.0636324 CONNECTIONS: o TS31 (104.3) o EQ4 o TS32 (288.1) o EQ4 o TS41 (102.9) o EQ5 o TS42 (109.8) o EQ5 o TS43 (138.8) o EQ5 o TS44 (197.2) o EQ6 o TS45 (198.1) o EQ6 o TS46 (555.8) o EQ63 o TS47 (589.9) o EQ77 o TS48 (549.8) o EQ85 o TS49 (544.1) o EQ124 o TS50 (237.9) o DDC6 o TS51 (372.2) o DDC7 o TS52 (587.7) o DDC8 o TS53 (604.5) o DDC9 o UDC3 o o UDC4 o
[ EQ6 ]
C1 ENERGY= 108.4 kJ/mol ( -225.2191676 Hartree) Energy+ZPE= 106.3 kJ/mol ZPE= 0.0633493 CONNECTIONS: o TS17 (116.8) o EQ3 o TS44 (197.2) o EQ5 o TS45 (198.1) o EQ5 o TS54 (119.1) o EQ6 o TS55 (127.8) o EQ6 o TS56 (138.1) o EQ6 o TS57 (580.1) o EQ21 o TS58 (584.2) o EQ73 o TS59 (559.7) o EQ87 o TS60 (260.3) o DDC10
[ EQ7 ]
C1 ENERGY= 128.0 kJ/mol ( -225.2117130 Hartree) Energy+ZPE= 116.3 kJ/mol ZPE= 0.0596697 CONNECTIONS: o TS61 (128.1) o EQ7 o TS62 (163.4) o DDC11 o UDC5 o
[ EQ8 ]
C1 ENERGY= 142.6 kJ/mol ( -225.2061313 Hartree) Energy+ZPE= 140.7 kJ/mol ZPE= 0.0634176 CONNECTIONS: o TS63 (142.7) o EQ8 o TS64 (246.4) o EQ9 o TS65 (429.9) o EQ9 o TS66 (232.1) o EQ10 o TS67 (236.6) o EQ10 o TS68 (178.2) o EQ11 o TS69 (178.3) o EQ11 o TS70 (179.8) o EQ11 o TS71 (513.8) o EQ11 o TS72 (378.1) o EQ16 o TS73 (373.2) o EQ20 o TS74 (570.5) o EQ25 o TS75 (473.9) o EQ26 o TS76 (558.9) o EQ26 o TS77 (567.0) o EQ26 o TS78 (484.0) o EQ41 o TS79 (592.0) o EQ43 o TS80 (471.4) o EQ56 o TS81 (310.3) o EQ61 o TS82 (525.6) o EQ67 o TS83 (476.8) o EQ73 o TS84 (340.0) o EQ81 o TS85 (453.3) o EQ143 o TS86 (492.7) o EQ143 o TS87 (522.2) o EQ164 o TS88 (551.7) o EQ183 o TS89 (563.9) o EQ183 o TS90 (734.3) o EQ232 o TS91 (744.8) o EQ254 o TS92 (746.6) o EQ257 o TS93 (838.4) o EQ273 o TS94 (843.1) o EQ274 o TS95 (502.1) o DDC12 o TS96 (507.9) o DDC13 o TS97 (513.7) o DDC14 o TS98 (539.8) o DDC15 o UDC6 o o UDC7 o
[ EQ9 ]
Cs ENERGY= 151.7 kJ/mol ( -225.2026938 Hartree) Energy+ZPE= 149.5 kJ/mol ZPE= 0.0632764 CONNECTIONS: o TS12 (528.8) o EQ2 o TS64 (246.4) o EQ8 o TS65 (429.9) o EQ8 o TS99 (492.6) o EQ9 o TS100 (170.8) o EQ10 o TS101 (181.1) o EQ10 o TS102 (239.1) o EQ11 o TS103 (245.2) o EQ11 o TS104 (516.7) o EQ13 o TS105 (342.2) o EQ15 o TS106 (571.7) o EQ25 o TS107 (509.9) o EQ68 o TS108 (497.3) o EQ85 o TS109 (455.7) o EQ107 o TS110 (451.8) o EQ143 o TS111 (546.9) o EQ172 o TS112 (721.1) o EQ238 o TS113 (736.7) o EQ244 o TS114 (420.4) o DDC16 o TS115 (449.4) o DDC17 o TS116 (552.1) o DDC18 o TS117 (639.9) o DDC19 o UDC8 o o UDC9 o
[ EQ10 ]
Cs ENERGY= 154.3 kJ/mol ( -225.2017018 Hartree) Energy+ZPE= 151.7 kJ/mol ZPE= 0.0631293 CONNECTIONS: o TS66 (232.1) o EQ8 o TS67 (236.6) o EQ8 o TS100 (170.8) o EQ9 o TS101 (181.1) o EQ9 o TS118 (362.1) o EQ13 o TS119 (519.5) o EQ13 o TS120 (426.6) o EQ50 o TS121 (487.1) o EQ77 o TS122 (606.6) o EQ199 o TS123 (675.1) o EQ232 o TS124 (715.3) o EQ238 o TS125 (735.6) o EQ238 o TS126 (504.7) o DDC20 o TS127 (519.0) o DDC21 o TS128 (567.4) o DDC22
[ EQ11 ]
Cs ENERGY= 168.3 kJ/mol ( -225.1963641 Hartree) Energy+ZPE= 165.1 kJ/mol ZPE= 0.0629186 CONNECTIONS: o TS68 (178.2) o EQ8 o TS69 (178.3) o EQ8 o TS70 (179.8) o EQ8 o TS71 (513.8) o EQ8 o TS102 (239.1) o EQ9 o TS103 (245.2) o EQ9 o TS129 (502.6) o EQ87 o TS130 (781.0) o EQ272 o TS131 (837.7) o EQ273 o TS132 (830.5) o EQ274 o TS133 (797.0) o EQ278 o UDC10 o
[ EQ12 ]
Cs ENERGY= 187.3 kJ/mol ( -225.1891297 Hartree) Energy+ZPE= 186.3 kJ/mol ZPE= 0.0637343 CONNECTIONS: o TS134 (230.6) o EQ12 o TS135 (243.4) o EQ12 o TS136 (322.8) o EQ13 o TS137 (215.9) o EQ14 o TS138 (226.1) o EQ14 o TS139 (225.6) o EQ16 o TS140 (509.7) o EQ78 o TS141 (441.5) o EQ109 o TS142 (467.9) o DDC23 o TS143 (479.2) o DDC24 o TS144 (513.1) o DDC25 o TS145 (585.2) o DDC26 o TS146 (613.0) o DDC27 o UDC11 o
[ EQ13 ]
C1 ENERGY= 202.9 kJ/mol ( -225.1831730 Hartree) Energy+ZPE= 199.2 kJ/mol ZPE= 0.0627291 CONNECTIONS: o TS104 (516.7) o EQ9 o TS118 (362.1) o EQ10 o TS119 (519.5) o EQ10 o TS136 (322.8) o EQ12 o TS147 (222.4) o EQ13 o TS148 (234.8) o EQ13 o TS149 (205.9) o EQ15 o TS150 (235.2) o EQ17 o TS151 (237.1) o EQ17 o TS152 (509.2) o EQ24 o TS153 (512.0) o EQ84 o TS154 (532.6) o EQ88 o TS155 (539.8) o EQ88 o TS156 (734.9) o EQ188 o TS157 (530.8) o DDC28 o TS158 (543.4) o DDC29 o TS159 (555.7) o DDC30
[ EQ14 ]
C1 ENERGY= 205.4 kJ/mol ( -225.1822185 Hartree) Energy+ZPE= 202.3 kJ/mol ZPE= 0.0629505 CONNECTIONS: o TS137 (215.9) o EQ12 o TS138 (226.1) o EQ12 o TS160 (219.3) o EQ14 o TS161 (236.5) o EQ14 o TS162 (246.4) o EQ14 o TS163 (746.7) o EQ14 o TS164 (332.5) o EQ17 o TS165 (588.3) o EQ17 o TS166 (671.3) o EQ17 o TS167 (573.6) o EQ23 o TS168 (637.0) o EQ63 o TS169 (487.8) o EQ73 o TS170 (488.3) o EQ73 o TS171 (510.1) o EQ82 o TS172 (694.0) o EQ107 o TS173 (458.1) o EQ124 o TS174 (475.5) o EQ124 o TS175 (727.3) o EQ170 o TS176 (732.0) o EQ170 o TS177 (691.4) o EQ171 o TS178 (449.4) o DDC31 o TS179 (461.3) o DDC32 o UDC12 o
[ EQ15 ]
C1 ENERGY= 205.8 kJ/mol ( -225.1820854 Hartree) Energy+ZPE= 202.2 kJ/mol ZPE= 0.0627646 CONNECTIONS: o TS105 (342.2) o EQ9 o TS149 (205.9) o EQ13 o TS180 (654.1) o EQ21 o TS181 (513.6) o EQ91 o TS182 (403.0) o EQ109 o TS183 (439.2) o EQ130 o TS184 (588.8) o DDC33 o UDC13 o
[ EQ16 ]
Cs ENERGY= 218.2 kJ/mol ( -225.1773375 Hartree) Energy+ZPE= 217.3 kJ/mol ZPE= 0.0637994 CONNECTIONS: o TS72 (378.1) o EQ8 o TS139 (225.6) o EQ12 o TS185 (231.7) o EQ16 o TS186 (392.2) o EQ50 o TS187 (338.2) o DDC34 o TS188 (509.7) o DDC35 o TS189 (510.4) o DDC36
[ EQ17 ]
C1 ENERGY= 226.5 kJ/mol ( -225.1741888 Hartree) Energy+ZPE= 221.0 kJ/mol ZPE= 0.0620299 CONNECTIONS: o TS150 (235.2) o EQ13 o TS151 (237.1) o EQ13 o TS164 (332.5) o EQ14 o TS165 (588.3) o EQ14 o TS166 (671.3) o EQ14 o TS190 (244.6) o EQ17 o TS191 (263.1) o EQ17 o TS192 (728.4) o EQ17 o TS193 (229.2) o EQ18 o TS194 (520.2) o EQ23 o TS195 (535.8) o EQ77 o TS196 (542.2) o EQ77 o TS197 (524.8) o EQ84 o TS198 (697.8) o EQ170 o TS199 (717.1) o EQ174 o TS200 (726.2) o EQ177 o TS201 (521.5) o DDC37 o TS202 (577.0) o DDC38 o UDC14 o
[ EQ18 ]
C1 ENERGY= 229.0 kJ/mol ( -225.1732300 Hartree) Energy+ZPE= 224.2 kJ/mol ZPE= 0.0623215 CONNECTIONS: o TS193 (229.2) o EQ17 o TS203 (523.7) o EQ91 o TS204 (423.8) o EQ124 o TS205 (444.7) o EQ134 o TS206 (601.7) o DDC39 o UDC15 o
[ EQ19 ]
C1 ENERGY= 229.4 kJ/mol ( -225.1730952 Hartree) Energy+ZPE= 225.5 kJ/mol ZPE= 0.0626336 CONNECTIONS: o TS18 (629.8) o EQ3 o TS207 (232.0) o EQ19 o TS208 (266.5) o EQ19 o TS209 (269.1) o EQ19 o TS210 (283.5) o EQ19 o TS211 (453.2) o EQ21 o TS212 (679.6) o EQ21 o TS213 (448.5) o EQ27 o TS214 (714.5) o EQ27 o TS215 (524.8) o EQ34 o TS216 (602.8) o EQ36 o TS217 (458.2) o EQ38 o TS218 (555.7) o EQ60 o TS219 (571.2) o EQ60 o TS220 (618.3) o EQ66 o TS221 (619.9) o EQ79 o TS222 (507.9) o EQ95 o TS223 (616.5) o EQ141 o TS224 (491.1) o EQ153 o TS225 (502.5) o EQ158 o TS226 (570.8) o EQ167 o TS227 (633.9) o EQ228 o TS228 (660.0) o EQ234 o TS229 (609.1) o DDC40 o UDC16 o o UDC17 o
[ EQ20 ]
Cs ENERGY= 236.8 kJ/mol ( -225.1702717 Hartree) Energy+ZPE= 232.0 kJ/mol ZPE= 0.0622931 CONNECTIONS: o TS73 (373.2) o EQ8 o TS230 (448.2) o EQ22 o TS231 (271.0) o EQ23 o TS232 (261.4) o EQ24 o TS233 (269.2) o EQ32 o TS234 (430.3) o EQ33 o TS235 (446.7) o EQ61 o TS236 (630.1) o EQ83 o TS237 (605.6) o EQ86 o TS238 (612.3) o EQ94 o TS239 (542.9) o EQ164 o TS240 (620.2) o EQ223 o TS241 (522.8) o DDC41 o TS242 (538.6) o DDC42 o TS243 (563.9) o DDC43 o TS244 (568.7) o DDC44 o TS245 (617.6) o DDC45 o UDC18 o o UDC19 o
[ EQ21 ]
C1 ENERGY= 242.7 kJ/mol ( -225.1680013 Hartree) Energy+ZPE= 237.4 kJ/mol ZPE= 0.0621292 CONNECTIONS: o TS19 (568.9) o EQ3 o TS20 (575.3) o EQ3 o TS57 (580.1) o EQ6 o TS180 (654.1) o EQ15 o TS211 (453.2) o EQ19 o TS212 (679.6) o EQ19 o TS246 (248.6) o EQ21 o TS247 (275.8) o EQ21 o TS248 (279.6) o EQ21 o TS249 (549.1) o EQ21 o TS250 (269.4) o EQ27 o TS251 (271.5) o EQ27 o TS252 (699.3) o EQ27 o TS253 (456.8) o EQ37 o TS254 (599.7) o EQ44 o TS255 (470.5) o EQ48 o TS256 (486.7) o EQ62 o TS257 (544.6) o EQ64 o TS258 (538.9) o EQ68 o TS259 (546.2) o EQ72 o TS260 (575.4) o EQ105 o TS261 (536.0) o EQ109 o TS262 (541.6) o EQ109 o TS263 (552.8) o EQ124 o TS264 (554.5) o EQ124 o TS265 (615.1) o EQ159 o TS266 (799.1) o EQ171 o TS267 (635.8) o EQ231 o TS268 (664.5) o EQ234 o TS269 (649.8) o DDC46 o UDC20 o o UDC21 o o UDC22 o
[ EQ22 ]
C1 ENERGY= 253.6 kJ/mol ( -225.1638548 Hartree) Energy+ZPE= 248.9 kJ/mol ZPE= 0.0623299 CONNECTIONS: o TS230 (448.2) o EQ20 o TS270 (263.9) o EQ22 o TS271 (283.6) o EQ22 o TS272 (439.6) o EQ31 o TS273 (278.5) o EQ33 o TS274 (289.2) o EQ35 o TS275 (505.4) o EQ81 o TS276 (508.5) o EQ82 o TS277 (384.0) o DDC47 o TS278 (440.1) o DDC48 o TS279 (492.8) o DDC49 o TS280 (540.7) o DDC50 o TS281 (627.6) o DDC51 o TS282 (630.5) o DDC52
[ EQ23 ]
C1 ENERGY= 253.8 kJ/mol ( -225.1637853 Hartree) Energy+ZPE= 248.2 kJ/mol ZPE= 0.0620131 CONNECTIONS: o TS167 (573.6) o EQ14 o TS194 (520.2) o EQ17 o TS231 (271.0) o EQ20 o TS283 (259.5) o EQ23 o TS284 (257.3) o EQ24 o TS285 (268.6) o EQ31 o TS286 (282.0) o EQ32 o TS287 (471.0) o EQ33 o TS288 (616.7) o EQ69 o TS289 (517.4) o EQ83 o TS290 (571.8) o EQ83 o TS291 (523.0) o EQ91 o TS292 (685.2) o EQ125 o TS293 (697.8) o EQ127 o TS294 (606.8) o EQ136 o TS295 (438.1) o DDC53 o TS296 (561.9) o DDC54 o TS297 (562.4) o DDC55 o UDC23 o o UDC24 o
[ EQ24 ]
C1 ENERGY= 256.2 kJ/mol ( -225.1628878 Hartree) Energy+ZPE= 250.9 kJ/mol ZPE= 0.0621264 CONNECTIONS: o TS152 (509.2) o EQ13 o TS232 (261.4) o EQ20 o TS284 (257.3) o EQ23 o TS298 (643.1) o EQ69 o TS299 (566.1) o EQ83 o TS300 (599.8) o EQ136 o TS301 (626.6) o EQ136 o UDC25 o
[ EQ25 ]
Cs ENERGY= 263.3 kJ/mol ( -225.1601650 Hartree) Energy+ZPE= 260.6 kJ/mol ZPE= 0.0630969 CONNECTIONS: o TS74 (570.5) o EQ8 o TS106 (571.7) o EQ9 o TS302 (658.8) o EQ25 o TS303 (365.7) o EQ26 o TS304 (855.7) o EQ26 o TS305 (308.5) o EQ29 o TS306 (294.9) o EQ43 o TS307 (317.2) o EQ43 o TS308 (582.0) o EQ99 o TS309 (409.1) o EQ116 o TS310 (611.8) o EQ209 o TS311 (771.9) o EQ272 o TS312 (814.6) o EQ273 o TS313 (786.5) o EQ277 o TS314 (846.4) o EQ280 o TS315 (828.7) o EQ282 o TS316 (579.9) o DDC56 o UDC26 o
[ EQ26 ]
C1 ENERGY= 264.2 kJ/mol ( -225.1598277 Hartree) Energy+ZPE= 261.1 kJ/mol ZPE= 0.0629372 CONNECTIONS: o TS33 (723.8) o EQ4 o TS75 (473.9) o EQ8 o TS76 (558.9) o EQ8 o TS77 (567.0) o EQ8 o TS303 (365.7) o EQ25 o TS304 (855.7) o EQ25 o TS317 (320.0) o EQ26 o TS318 (451.5) o EQ26 o TS319 (579.1) o EQ26 o TS320 (655.0) o EQ26 o TS321 (310.4) o EQ39 o TS322 (320.6) o EQ57 o TS323 (497.1) o EQ67 o TS324 (606.7) o EQ99 o TS325 (400.8) o EQ112 o TS326 (533.9) o EQ139 o TS327 (605.6) o EQ208 o TS328 (617.7) o EQ214 o TS329 (695.3) o EQ223 o TS330 (716.8) o EQ243 o TS331 (725.8) o EQ248 o TS332 (758.7) o EQ252 o TS333 (787.9) o EQ254 o TS334 (772.9) o EQ257 o TS335 (829.6) o EQ274 o TS336 (792.4) o EQ276 o TS337 (793.3) o EQ278 o TS338 (812.1) o EQ280 o TS339 (852.9) o EQ284 o TS340 (987.4) o EQ294 o TS341 (1031.5) o EQ300 o TS342 (574.6) o DDC57 o TS343 (588.7) o DDC58 o TS344 (655.9) o DDC59 o TS345 (695.9) o DDC60 o TS346 (850.0) o DDC61 o UDC27 o o UDC28 o
[ EQ27 ]
C1 ENERGY= 265.1 kJ/mol ( -225.1594935 Hartree) Energy+ZPE= 258.7 kJ/mol ZPE= 0.0616950 CONNECTIONS: o TS213 (448.5) o EQ19 o TS214 (714.5) o EQ19 o TS250 (269.4) o EQ21 o TS251 (271.5) o EQ21 o TS252 (699.3) o EQ21 o TS347 (272.5) o EQ27 o TS348 (292.3) o EQ27 o TS349 (299.7) o EQ27 o TS350 (560.3) o EQ66 o TS351 (562.7) o EQ79 o TS352 (569.9) o EQ105 o TS353 (613.7) o EQ154 o TS354 (707.4) o EQ171 o TS355 (709.6) o EQ171 o TS356 (635.6) o EQ228 o TS357 (652.9) o EQ231 o TS358 (883.4) o EQ283 o TS359 (513.9) o DDC62 o TS360 (708.9) o DDC63 o UDC29 o
[ EQ28 ]
Cs ENERGY= 265.6 kJ/mol ( -225.1592887 Hartree) Energy+ZPE= 259.0 kJ/mol ZPE= 0.0616308 CONNECTIONS: o TS361 (267.9) o EQ28 o TS362 (367.2) o EQ30 o TS363 (375.4) o EQ30 o TS364 (495.6) o EQ53 o TS365 (524.5) o EQ55 o TS366 (599.2) o EQ70 o TS367 (674.9) o EQ80 o TS368 (461.0) o EQ126 o TS369 (638.3) o EQ144 o TS370 (709.9) o EQ233 o TS371 (520.0) o DDC64 o TS372 (561.7) o DDC65 o TS373 (662.5) o DDC66 o TS374 (716.2) o DDC67 o UDC30 o o UDC31 o
[ EQ29 ]
Cs ENERGY= 267.4 kJ/mol ( -225.1585994 Hartree) Energy+ZPE= 263.6 kJ/mol ZPE= 0.0626925 CONNECTIONS: o TS305 (308.5) o EQ25 o TS375 (370.4) o EQ39 o TS376 (294.4) o EQ47 o TS377 (323.3) o EQ47 o TS378 (596.7) o EQ68 o TS379 (596.6) o EQ106 o TS380 (479.5) o EQ132 o TS381 (516.0) o EQ166 o TS382 (592.9) o EQ211 o TS383 (594.0) o EQ212 o TS384 (544.9) o DDC68 o TS385 (657.0) o DDC69 o TS386 (657.6) o DDC70 o TS387 (659.1) o DDC71 o UDC32 o
[ EQ30 ]
Cs ENERGY= 268.4 kJ/mol ( -225.1582410 Hartree) Energy+ZPE= 261.3 kJ/mol ZPE= 0.0614348 CONNECTIONS: o TS362 (367.2) o EQ28 o TS363 (375.4) o EQ28 o TS388 (273.5) o EQ30 o TS389 (406.4) o EQ40 o TS390 (562.6) o EQ49 o TS391 (584.7) o EQ75 o TS392 (686.8) o EQ79 o TS393 (720.8) o EQ92 o TS394 (570.1) o EQ180 o TS395 (685.9) o EQ233 o TS396 (532.1) o DDC72 o TS397 (659.0) o DDC73 o TS398 (667.4) o DDC74 o TS399 (707.4) o DDC75 o TS400 (756.9) o DDC76
[ EQ31 ]
C1 ENERGY= 268.5 kJ/mol ( -225.1581995 Hartree) Energy+ZPE= 261.6 kJ/mol ZPE= 0.0615019 CONNECTIONS: o TS272 (439.6) o EQ22 o TS285 (268.6) o EQ23 o TS401 (270.1) o EQ31 o TS402 (529.9) o EQ91 o TS403 (568.0) o DDC77 o UDC33 o
[ EQ32 ]
Cs ENERGY= 268.9 kJ/mol ( -225.1580538 Hartree) Energy+ZPE= 262.1 kJ/mol ZPE= 0.0615513 CONNECTIONS: o TS233 (269.2) o EQ20 o TS286 (282.0) o EQ23 o TS404 (500.4) o EQ61 o TS405 (611.9) o EQ100 o UDC34 o o UDC35 o o UDC36 o
[ EQ33 ]
C1 ENERGY= 270.5 kJ/mol ( -225.1574185 Hartree) Energy+ZPE= 263.4 kJ/mol ZPE= 0.0614309 CONNECTIONS: o TS234 (430.3) o EQ20 o TS273 (278.5) o EQ22 o TS287 (471.0) o EQ23 o TS406 (274.8) o EQ35 o TS407 (276.5) o EQ35 o TS408 (289.3) o EQ35 o TS409 (538.8) o EQ84 o TS410 (623.9) o EQ136 o TS411 (442.5) o DDC78 o TS412 (457.9) o DDC79 o TS413 (475.8) o DDC80 o TS414 (579.9) o DDC81 o UDC37 o
[ EQ34 ]
C1 ENERGY= 271.0 kJ/mol ( -225.1572434 Hartree) Energy+ZPE= 267.1 kJ/mol ZPE= 0.0626395 CONNECTIONS: o TS215 (524.8) o EQ19 o TS415 (281.5) o EQ34 o TS416 (613.7) o EQ34 o TS417 (667.8) o EQ34 o TS418 (390.7) o EQ36 o TS419 (605.8) o EQ36 o TS420 (322.6) o EQ37 o TS421 (331.1) o EQ37 o TS422 (349.0) o EQ37 o TS423 (327.6) o EQ38 o TS424 (376.2) o EQ46 o TS425 (328.7) o EQ48 o TS426 (585.9) o EQ56 o TS427 (615.9) o EQ56 o TS428 (591.9) o EQ95 o TS429 (632.6) o EQ127 o TS430 (534.0) o EQ142 o TS431 (813.0) o EQ178 o TS432 (693.9) o EQ184 o TS433 (727.5) o EQ184 o TS434 (752.1) o EQ184 o TS435 (573.1) o EQ202 o TS436 (711.2) o EQ204 o TS437 (628.3) o EQ225 o TS438 (756.3) o EQ236 o TS439 (772.7) o EQ247 o TS440 (732.4) o EQ249 o TS441 (741.8) o EQ250 o TS442 (721.9) o EQ253 o TS443 (1019.4) o EQ253 o TS444 (745.9) o EQ266 o TS445 (756.6) o EQ270 o TS446 (608.9) o DDC82 o TS447 (620.1) o DDC83 o TS448 (627.4) o DDC84 o TS449 (666.1) o DDC85 o TS450 (715.2) o DDC86 o TS451 (732.0) o DDC87 o TS452 (739.7) o DDC88 o UDC38 o o UDC39 o
[ EQ35 ]
C1 ENERGY= 273.3 kJ/mol ( -225.1563537 Hartree) Energy+ZPE= 266.0 kJ/mol ZPE= 0.0613436 CONNECTIONS: o TS274 (289.2) o EQ22 o TS406 (274.8) o EQ33 o TS407 (276.5) o EQ33 o TS408 (289.3) o EQ33 o TS453 (628.2) o EQ136 o TS454 (463.6) o DDC89 o UDC40 o
[ EQ36 ]
C1 ENERGY= 274.4 kJ/mol ( -225.1559570 Hartree) Energy+ZPE= 271.0 kJ/mol ZPE= 0.0628281 CONNECTIONS: o TS216 (602.8) o EQ19 o TS418 (390.7) o EQ34 o TS419 (605.8) o EQ34 o TS455 (575.5) o EQ36 o TS456 (589.3) o EQ37 o TS457 (579.5) o EQ41 o TS458 (315.9) o EQ44 o TS459 (327.3) o EQ44 o TS460 (290.6) o EQ46 o TS461 (306.2) o EQ46 o TS462 (308.7) o EQ46 o TS463 (572.8) o EQ60 o TS464 (584.2) o EQ95 o TS465 (502.7) o EQ111 o TS466 (520.0) o EQ153 o TS467 (882.8) o EQ163 o TS468 (586.0) o EQ211 o TS469 (772.1) o EQ253 o TS470 (768.1) o EQ256 o TS471 (587.2) o DDC90 o TS472 (590.9) o DDC91 o TS473 (617.2) o DDC92 o TS474 (623.1) o DDC93 o TS475 (644.5) o DDC94 o TS476 (656.2) o DDC95
[ EQ37 ]
C1 ENERGY= 275.1 kJ/mol ( -225.1556645 Hartree) Energy+ZPE= 271.3 kJ/mol ZPE= 0.0626718 CONNECTIONS: o TS253 (456.8) o EQ21 o TS420 (322.6) o EQ34 o TS421 (331.1) o EQ34 o TS422 (349.0) o EQ34 o TS456 (589.3) o EQ36 o TS477 (674.7) o EQ37 o TS478 (384.8) o EQ44 o TS479 (292.6) o EQ48 o TS480 (308.1) o EQ48 o TS481 (309.3) o EQ48 o TS482 (577.4) o EQ51 o TS483 (613.7) o EQ105 o TS484 (508.4) o EQ120 o TS485 (611.4) o EQ125 o TS486 (540.9) o EQ167 o TS487 (687.7) o EQ178 o TS488 (710.9) o EQ204 o TS489 (749.7) o EQ204 o TS490 (588.5) o EQ214 o TS491 (707.5) o EQ242 o TS492 (731.6) o EQ256 o TS493 (717.9) o DDC96 o UDC41 o o UDC42 o
[ EQ38 ]
C1 ENERGY= 275.4 kJ/mol ( -225.1555729 Hartree) Energy+ZPE= 272.4 kJ/mol ZPE= 0.0629890 CONNECTIONS: o TS217 (458.2) o EQ19 o TS423 (327.6) o EQ34 o TS494 (280.0) o EQ38 o TS495 (304.2) o EQ38 o TS496 (323.7) o EQ38 o TS497 (455.1) o EQ60 o TS498 (463.0) o EQ64 o TS499 (487.5) o EQ68 o TS500 (764.4) o EQ111 o TS501 (797.7) o EQ111 o TS502 (770.9) o EQ120 o TS503 (618.5) o EQ151 o TS504 (566.9) o EQ155 o TS505 (756.2) o EQ205 o TS506 (826.8) o EQ205 o TS507 (816.6) o EQ275 o TS508 (602.5) o DDC97 o UDC43 o o UDC44 o
[ EQ39 ]
Cs ENERGY= 275.8 kJ/mol ( -225.1554297 Hartree) Energy+ZPE= 272.2 kJ/mol ZPE= 0.0627690 CONNECTIONS: o TS321 (310.4) o EQ26 o TS375 (370.4) o EQ29 o TS509 (663.3) o EQ39 o TS510 (789.8) o EQ39 o TS511 (307.1) o EQ57 o TS512 (334.1) o EQ57 o TS513 (600.8) o EQ64 o TS514 (623.8) o EQ106 o TS515 (482.9) o EQ120 o TS516 (523.6) o EQ166 o TS517 (586.3) o EQ202 o TS518 (598.6) o EQ214 o TS519 (679.3) o EQ220 o TS520 (840.8) o EQ281 o TS521 (823.0) o EQ282 o TS522 (580.7) o DDC98 o TS523 (580.9) o DDC99 o TS524 (590.9) o DDC100 o TS525 (659.4) o DDC101 o TS526 (664.1) o DDC102 o TS527 (707.2) o DDC103 o UDC45 o o UDC46 o
[ EQ40 ]
Cs ENERGY= 275.8 kJ/mol ( -225.1554199 Hartree) Energy+ZPE= 268.6 kJ/mol ZPE= 0.0613988 CONNECTIONS: o TS389 (406.4) o EQ30 o TS528 (282.9) o EQ40 o TS529 (321.8) o EQ45 o TS530 (439.7) o EQ65 o TS531 (606.6) o EQ90 o TS532 (595.1) o EQ102 o TS533 (747.0) o EQ262 o TS534 (670.2) o DDC104 o TS535 (706.9) o DDC105 o UDC47 o
[ EQ41 ]
C1 ENERGY= 281.2 kJ/mol ( -225.1533469 Hartree) Energy+ZPE= 279.6 kJ/mol ZPE= 0.0635369 CONNECTIONS: o TS78 (484.0) o EQ8 o TS457 (579.5) o EQ36 o TS536 (595.5) o EQ46 o TS537 (573.1) o EQ48 o TS538 (294.6) o EQ51 o TS539 (301.7) o EQ51 o TS540 (618.8) o EQ51 o TS541 (392.7) o EQ56 o TS542 (469.2) o EQ61 o TS543 (402.3) o EQ74 o TS544 (519.7) o EQ81 o TS545 (453.8) o EQ84 o TS546 (451.8) o EQ91 o TS547 (452.7) o EQ91 o TS548 (489.7) o EQ109 o TS549 (501.2) o EQ109 o TS550 (502.5) o EQ124 o TS551 (658.1) o EQ202 o TS552 (561.8) o DDC106 o TS553 (571.0) o DDC107 o TS554 (579.0) o DDC108 o TS555 (614.3) o DDC109 o UDC48 o
[ EQ42 ]
Cs ENERGY= 281.8 kJ/mol ( -225.1531091 Hartree) Energy+ZPE= 274.1 kJ/mol ZPE= 0.0611851 CONNECTIONS: o TS556 (287.0) o EQ42 o TS557 (426.2) o EQ45 o TS558 (522.6) o EQ55 o TS559 (328.4) o EQ65 o TS560 (514.5) o EQ90 o TS561 (524.6) o EQ90 o TS562 (786.7) o EQ96 o TS563 (583.4) o EQ126 o TS564 (729.5) o EQ251 o TS565 (750.0) o EQ262 o TS566 (447.4) o DDC110 o TS567 (520.5) o DDC111 o TS568 (661.6) o DDC112 o TS569 (689.8) o DDC113 o UDC49 o o UDC50 o
[ EQ43 ]
Cs ENERGY= 282.1 kJ/mol ( -225.1530273 Hartree) Energy+ZPE= 278.8 kJ/mol ZPE= 0.0628871 CONNECTIONS: o TS79 (592.0) o EQ8 o TS306 (294.9) o EQ25 o TS307 (317.2) o EQ25 o TS570 (318.6) o EQ47 o TS571 (611.3) o EQ119 o TS572 (792.6) o EQ279 o TS573 (609.4) o DDC114 o UDC51 o
[ EQ44 ]
C1 ENERGY= 282.1 kJ/mol ( -225.1530079 Hartree) Energy+ZPE= 277.4 kJ/mol ZPE= 0.0623405 CONNECTIONS: o TS254 (599.7) o EQ21 o TS458 (315.9) o EQ36 o TS459 (327.3) o EQ36 o TS478 (384.8) o EQ37 o TS574 (621.6) o EQ44 o TS575 (297.5) o EQ52 o TS576 (312.6) o EQ52 o TS577 (318.0) o EQ52 o TS578 (582.1) o EQ63 o TS579 (600.0) o EQ105 o TS580 (607.7) o EQ127 o TS581 (521.5) o EQ132 o TS582 (521.0) o EQ156 o TS583 (692.6) o EQ190 o TS584 (692.7) o EQ190 o TS585 (585.6) o EQ212 o TS586 (686.4) o EQ236 o TS587 (734.2) o EQ249 o TS588 (745.8) o EQ250 o TS589 (545.9) o DDC115 o TS590 (610.3) o DDC116 o TS591 (711.2) o DDC117 o UDC52 o
[ EQ45 ]
Cs ENERGY= 284.0 kJ/mol ( -225.1522777 Hartree) Energy+ZPE= 276.7 kJ/mol ZPE= 0.0613673 CONNECTIONS: o TS529 (321.8) o EQ40 o TS557 (426.2) o EQ42 o TS592 (292.4) o EQ45 o TS593 (534.5) o EQ75 o TS594 (606.9) o EQ90 o TS595 (601.2) o EQ133 o TS596 (726.6) o EQ251 o TS597 (666.1) o DDC118 o TS598 (701.8) o DDC119 o UDC53 o o UDC54 o
[ EQ46 ]
C1 ENERGY= 285.8 kJ/mol ( -225.1516019 Hartree) Energy+ZPE= 281.6 kJ/mol ZPE= 0.0625303 CONNECTIONS: o TS424 (376.2) o EQ34 o TS460 (290.6) o EQ36 o TS461 (306.2) o EQ36 o TS462 (308.7) o EQ36 o TS536 (595.5) o EQ41 o TS599 (333.0) o EQ52 o TS600 (348.6) o EQ52 o TS601 (537.9) o EQ153 o TS602 (614.0) o EQ222 o TS603 (616.8) o EQ226 o TS604 (757.8) o EQ242 o TS605 (741.2) o EQ245 o TS606 (1014.7) o EQ256 o UDC55 o
[ EQ47 ]
Cs ENERGY= 287.2 kJ/mol ( -225.1510571 Hartree) Energy+ZPE= 282.2 kJ/mol ZPE= 0.0622262 CONNECTIONS: o TS376 (294.4) o EQ29 o TS377 (323.3) o EQ29 o TS570 (318.6) o EQ43 o TS607 (389.7) o EQ57 o TS608 (595.2) o EQ106 o TS609 (609.2) o EQ212 o TS610 (613.7) o EQ215 o TS611 (843.8) o EQ284 o TS612 (547.6) o DDC120 o UDC56 o o UDC57 o
[ EQ48 ]
C1 ENERGY= 288.5 kJ/mol ( -225.1505831 Hartree) Energy+ZPE= 283.9 kJ/mol ZPE= 0.0623724 CONNECTIONS: o TS255 (470.5) o EQ21 o TS425 (328.7) o EQ34 o TS479 (292.6) o EQ37 o TS480 (308.1) o EQ37 o TS481 (309.3) o EQ37 o TS537 (573.1) o EQ41 o TS613 (696.9) o EQ48 o TS614 (397.0) o EQ52 o TS615 (614.0) o EQ105 o TS616 (725.9) o EQ184 o TS617 (581.3) o EQ208 o TS618 (738.0) o EQ245 o TS619 (561.6) o DDC121 o TS620 (732.7) o DDC122 o UDC58 o o UDC59 o
[ EQ49 ]
Cs ENERGY= 288.6 kJ/mol ( -225.1505413 Hartree) Energy+ZPE= 286.3 kJ/mol ZPE= 0.0632372 CONNECTIONS: o TS390 (562.6) o EQ30 o TS621 (293.3) o EQ49 o TS622 (592.1) o EQ54 o TS623 (460.0) o EQ70 o TS624 (489.6) o EQ90 o TS625 (574.7) o EQ92 o TS626 (563.6) o EQ140 o TS627 (618.8) o EQ160 o TS628 (633.4) o EQ169 o TS629 (752.0) o DDC123 o TS630 (785.9) o DDC124 o UDC60 o o UDC61 o o UDC62 o o UDC63 o
[ EQ50 ]
Cs ENERGY= 290.7 kJ/mol ( -225.1497269 Hartree) Energy+ZPE= 287.4 kJ/mol ZPE= 0.0628603 CONNECTIONS: o TS120 (426.6) o EQ10 o TS186 (392.2) o EQ16 o TS631 (298.5) o EQ50 o TS632 (592.6) o EQ134 o TS633 (369.5) o DDC125 o TS634 (534.6) o DDC126 o TS635 (536.5) o DDC127
[ EQ51 ]
C1 ENERGY= 291.0 kJ/mol ( -225.1496349 Hartree) Energy+ZPE= 289.5 kJ/mol ZPE= 0.0635681 CONNECTIONS: o TS482 (577.4) o EQ37 o TS538 (294.6) o EQ41 o TS539 (301.7) o EQ41 o TS540 (618.8) o EQ41 o TS636 (571.7) o EQ56 o TS637 (495.1) o EQ61 o TS638 (404.4) o EQ63 o TS639 (460.5) o EQ84 o TS640 (514.2) o EQ124 o TS641 (672.4) o EQ214 o TS642 (577.4) o DDC128 o TS643 (625.4) o DDC129 o UDC64 o o UDC65 o
[ EQ52 ]
C1 ENERGY= 295.6 kJ/mol ( -225.1478689 Hartree) Energy+ZPE= 289.9 kJ/mol ZPE= 0.0619762 CONNECTIONS: o TS575 (297.5) o EQ44 o TS576 (312.6) o EQ44 o TS577 (318.0) o EQ44 o TS599 (333.0) o EQ46 o TS600 (348.6) o EQ46 o TS614 (397.0) o EQ48 o TS644 (592.3) o EQ74 o TS645 (601.5) o EQ105 o TS646 (627.9) o EQ127 o TS647 (713.0) o EQ201 o TS648 (605.7) o EQ215 o TS649 (717.6) o EQ247 o TS650 (541.1) o DDC130 o TS651 (662.4) o DDC131 o UDC66 o o UDC67 o
[ EQ53 ]
Cs ENERGY= 296.2 kJ/mol ( -225.1476577 Hartree) Energy+ZPE= 290.8 kJ/mol ZPE= 0.0620775 CONNECTIONS: o TS364 (495.6) o EQ28 o TS652 (307.8) o EQ53 o TS653 (339.7) o EQ58 o TS654 (459.9) o EQ71 o TS655 (580.2) o EQ97 o TS656 (721.1) o EQ121 o TS657 (524.0) o EQ168 o TS658 (782.4) o EQ271 o TS659 (708.5) o DDC132 o UDC68 o o UDC69 o
[ EQ54 ]
C1 ENERGY= 296.2 kJ/mol ( -225.1476370 Hartree) Energy+ZPE= 287.8 kJ/mol ZPE= 0.0609282 CONNECTIONS: o TS622 (592.1) o EQ49 o TS660 (297.8) o EQ54 o TS661 (458.3) o EQ58 o TS662 (344.2) o EQ71 o TS663 (748.3) o EQ165 o TS664 (757.5) o EQ271 o TS665 (407.3) o DDC133 o TS666 (520.7) o DDC134 o TS667 (681.9) o DDC135 o TS668 (696.0) o DDC136 o TS669 (697.7) o DDC137
[ EQ55 ]
Cs ENERGY= 296.9 kJ/mol ( -225.1473667 Hartree) Energy+ZPE= 294.3 kJ/mol ZPE= 0.0631384 CONNECTIONS: o TS365 (524.5) o EQ28 o TS558 (522.6) o EQ42 o TS670 (303.9) o EQ55 o TS671 (813.4) o EQ70 o TS672 (475.3) o EQ75 o TS673 (479.0) o EQ94 o TS674 (590.5) o EQ97 o TS675 (632.5) o EQ160 o TS676 (768.2) o EQ165 o TS677 (666.9) o EQ169 o TS678 (688.3) o DDC138 o TS679 (723.9) o DDC139 o UDC70 o
[ EQ56 ]
Cs ENERGY= 300.4 kJ/mol ( -225.1460368 Hartree) Energy+ZPE= 297.4 kJ/mol ZPE= 0.0630003 CONNECTIONS: o TS80 (471.4) o EQ8 o TS426 (585.9) o EQ34 o TS427 (615.9) o EQ34 o TS541 (392.7) o EQ41 o TS636 (571.7) o EQ51 o TS680 (626.0) o EQ63 o TS681 (604.0) o EQ69 o TS682 (613.5) o EQ74 o TS683 (562.3) o EQ89 o TS684 (456.5) o EQ91 o TS685 (644.2) o DDC140 o TS686 (733.5) o DDC141 o UDC71 o
[ EQ57 ]
Cs ENERGY= 300.7 kJ/mol ( -225.1459304 Hartree) Energy+ZPE= 295.3 kJ/mol ZPE= 0.0620829 CONNECTIONS: o TS322 (320.6) o EQ26 o TS511 (307.1) o EQ39 o TS512 (334.1) o EQ39 o TS607 (389.7) o EQ47 o TS687 (671.4) o EQ57 o TS688 (686.5) o EQ57 o TS689 (625.8) o EQ106 o TS690 (680.5) o EQ213 o TS691 (614.6) o DDC142 o TS692 (655.6) o DDC143 o UDC72 o
[ EQ58 ]
Cs ENERGY= 303.1 kJ/mol ( -225.1450178 Hartree) Energy+ZPE= 296.2 kJ/mol ZPE= 0.0614860 CONNECTIONS: o TS653 (339.7) o EQ53 o TS661 (458.3) o EQ54 o TS693 (304.9) o EQ58 o TS694 (601.1) o EQ70 o TS695 (661.3) o EQ71 o TS696 (540.2) o EQ108 o TS697 (598.5) o EQ108 o TS698 (688.2) o EQ148 o TS699 (750.3) o EQ261 o TS700 (697.9) o DDC144 o TS701 (705.7) o DDC145 o TS702 (720.1) o DDC146 o UDC73 o o UDC74 o
[ EQ59 ]
Cs ENERGY= 303.5 kJ/mol ( -225.1448708 Hartree) Energy+ZPE= 299.5 kJ/mol ZPE= 0.0626113 CONNECTIONS: o TS703 (311.8) o EQ62 o TS704 (317.9) o EQ62 o TS705 (471.7) o EQ141 o TS706 (796.6) o EQ232 o TS707 (776.0) o EQ238 o TS708 (801.1) o EQ245 o TS709 (602.5) o DDC147 o TS710 (663.9) o DDC148 o UDC75 o
[ EQ60 ]
Cs ENERGY= 307.5 kJ/mol ( -225.1433548 Hartree) Energy+ZPE= 301.0 kJ/mol ZPE= 0.0616621 CONNECTIONS: o TS218 (555.7) o EQ19 o TS219 (571.2) o EQ19 o TS463 (572.8) o EQ36 o TS497 (455.1) o EQ38 o TS711 (330.4) o EQ60 o TS712 (332.9) o EQ60 o TS713 (322.4) o EQ66 o TS714 (336.5) o EQ79 o TS715 (585.0) o EQ80 o TS716 (685.7) o EQ118 o TS717 (699.9) o EQ118 o TS718 (773.0) o EQ256 o TS719 (800.7) o EQ270 o TS720 (622.0) o DDC149 o TS721 (789.5) o DDC150 o UDC76 o
[ EQ61 ]
C1 ENERGY= 309.7 kJ/mol ( -225.1425138 Hartree) Energy+ZPE= 302.6 kJ/mol ZPE= 0.0614285 CONNECTIONS: o TS81 (310.3) o EQ8 o TS235 (446.7) o EQ20 o TS404 (500.4) o EQ32 o TS542 (469.2) o EQ41 o TS637 (495.1) o EQ51 o TS722 (309.9) o EQ61 o TS723 (358.4) o EQ61 o TS724 (758.4) o EQ179 o TS725 (826.4) o EQ179 o TS726 (748.1) o EQ190 o TS727 (759.8) o EQ201 o TS728 (662.8) o EQ239 o TS729 (712.2) o DDC151 o UDC77 o o UDC78 o
[ EQ62 ]
C1 ENERGY= 309.9 kJ/mol ( -225.1424320 Hartree) Energy+ZPE= 305.2 kJ/mol ZPE= 0.0623395 CONNECTIONS: o TS256 (486.7) o EQ21 o TS703 (311.8) o EQ59 o TS704 (317.9) o EQ59 o TS730 (320.6) o EQ62 o TS731 (442.3) o EQ64 o TS732 (446.8) o EQ68 o TS733 (507.4) o EQ80 o TS734 (496.5) o EQ105 o TS735 (650.1) o EQ191 o TS736 (593.8) o DDC152 o TS737 (605.9) o DDC153 o UDC79 o
[ EQ63 ]
C1 ENERGY= 310.6 kJ/mol ( -225.1421539 Hartree) Energy+ZPE= 307.6 kJ/mol ZPE= 0.0630045 CONNECTIONS: o TS46 (555.8) o EQ5 o TS168 (637.0) o EQ14 o TS578 (582.1) o EQ44 o TS638 (404.4) o EQ51 o TS680 (626.0) o EQ56 o TS738 (312.7) o EQ63 o TS739 (327.1) o EQ74 o TS740 (560.4) o EQ77 o TS741 (634.5) o EQ83 o TS742 (638.2) o EQ83 o TS743 (463.6) o EQ84 o TS744 (637.4) o DDC154 o UDC80 o o UDC81 o o UDC82 o
[ EQ64 ]
C1 ENERGY= 311.0 kJ/mol ( -225.1419861 Hartree) Energy+ZPE= 308.9 kJ/mol ZPE= 0.0633135 CONNECTIONS: o TS4 (555.4) o EQ0 o TS9 (546.3) o EQ1 o TS257 (544.6) o EQ21 o TS498 (463.0) o EQ38 o TS513 (600.8) o EQ39 o TS731 (442.3) o EQ62 o TS745 (327.4) o EQ67 o TS746 (331.0) o EQ67 o TS747 (339.7) o EQ67 o TS748 (449.9) o EQ68 o TS749 (573.8) o EQ120 o TS750 (886.0) o EQ276 o TS751 (930.5) o EQ280 o TS752 (673.5) o DDC155 o TS753 (873.6) o DDC156 o UDC83 o o UDC84 o
[ EQ65 ]
Cs ENERGY= 314.4 kJ/mol ( -225.1407077 Hartree) Energy+ZPE= 305.0 kJ/mol ZPE= 0.0605681 CONNECTIONS: o TS530 (439.7) o EQ40 o TS559 (328.4) o EQ42 o TS754 (322.5) o EQ65 o TS755 (500.2) o DDC157 o TS756 (573.1) o DDC158 o TS757 (691.0) o DDC159 o TS758 (719.3) o DDC160 o UDC85 o
[ EQ66 ]
C1 ENERGY= 315.4 kJ/mol ( -225.1403105 Hartree) Energy+ZPE= 309.3 kJ/mol ZPE= 0.0618002 CONNECTIONS: o TS220 (618.3) o EQ19 o TS350 (560.3) o EQ27 o TS713 (322.4) o EQ60 o TS759 (318.0) o EQ66 o TS760 (335.7) o EQ79 o TS761 (335.3) o EQ80 o TS762 (607.8) o EQ92 o TS763 (681.0) o EQ92 o TS764 (592.5) o EQ141 o TS765 (497.8) o EQ150 o TS766 (514.9) o DDC161 o TS767 (529.8) o DDC162 o UDC86 o
[ EQ67 ]
C1 ENERGY= 315.8 kJ/mol ( -225.1401861 Hartree) Energy+ZPE= 313.0 kJ/mol ZPE= 0.0630662 CONNECTIONS: o TS5 (553.1) o EQ0 o TS10 (561.8) o EQ1 o TS82 (525.6) o EQ8 o TS323 (497.1) o EQ26 o TS745 (327.4) o EQ64 o TS746 (331.0) o EQ64 o TS747 (339.7) o EQ64 o TS768 (459.8) o EQ72 o TS769 (462.0) o EQ139 o TS770 (688.9) o EQ157 o UDC87 o o UDC88 o o UDC89 o
[ EQ68 ]
C1 ENERGY= 317.2 kJ/mol ( -225.1396448 Hartree) Energy+ZPE= 314.6 kJ/mol ZPE= 0.0631494 CONNECTIONS: o TS11 (546.4) o EQ1 o TS107 (509.9) o EQ9 o TS258 (538.9) o EQ21 o TS378 (596.7) o EQ29 o TS499 (487.5) o EQ38 o TS732 (446.8) o EQ62 o TS748 (449.9) o EQ64 o TS771 (331.7) o EQ72 o TS772 (335.9) o EQ72 o TS773 (340.7) o EQ72 o TS774 (890.2) o EQ106 o TS775 (878.8) o EQ146 o TS776 (865.4) o EQ277 o TS777 (788.5) o DDC163 o UDC90 o
[ EQ69 ]
Cs ENERGY= 319.4 kJ/mol ( -225.1387912 Hartree) Energy+ZPE= 312.0 kJ/mol ZPE= 0.0613051 CONNECTIONS: o TS288 (616.7) o EQ23 o TS298 (643.1) o EQ24 o TS681 (604.0) o EQ56 o TS778 (342.9) o EQ83 o TS779 (357.5) o EQ83 o TS780 (653.5) o EQ126 o TS781 (656.0) o EQ126 o TS782 (675.1) o EQ146 o TS783 (684.0) o EQ246 o TS784 (690.8) o EQ246 o TS785 (350.2) o DDC164 o TS786 (523.0) o DDC165 o TS787 (628.4) o DDC166 o TS788 (733.5) o DDC167
[ EQ70 ]
C1 ENERGY= 321.7 kJ/mol ( -225.1379343 Hartree) Energy+ZPE= 318.4 kJ/mol ZPE= 0.0628598 CONNECTIONS: o TS366 (599.2) o EQ28 o TS623 (460.0) o EQ49 o TS671 (813.4) o EQ55 o TS694 (601.1) o EQ58 o TS789 (324.6) o EQ70 o TS790 (576.1) o EQ145 o TS791 (641.9) o EQ160 o TS792 (647.6) o EQ169 o TS793 (827.4) o EQ233 o TS794 (637.4) o DDC168 o TS795 (775.6) o DDC169 o TS796 (793.6) o DDC170 o TS797 (806.2) o DDC171 o UDC91 o o UDC92 o o UDC93 o o UDC94 o
[ EQ71 ]
Cs ENERGY= 322.2 kJ/mol ( -225.1377314 Hartree) Energy+ZPE= 314.1 kJ/mol ZPE= 0.0610306 CONNECTIONS: o TS654 (459.9) o EQ53 o TS662 (344.2) o EQ54 o TS695 (661.3) o EQ58 o TS798 (335.9) o EQ71 o TS799 (390.5) o DDC172 o TS800 (517.6) o DDC173
[ EQ72 ]
C1 ENERGY= 322.8 kJ/mol ( -225.1375100 Hartree) Energy+ZPE= 319.9 kJ/mol ZPE= 0.0630207 CONNECTIONS: o TS259 (546.2) o EQ21 o TS768 (459.8) o EQ67 o TS771 (331.7) o EQ68 o TS772 (335.9) o EQ68 o TS773 (340.7) o EQ68 o TS801 (501.3) o EQ112 o TS802 (478.0) o EQ147 o TS803 (601.0) o DDC174 o TS804 (767.1) o DDC175 o UDC95 o o UDC96 o
[ EQ73 ]
C1 ENERGY= 323.7 kJ/mol ( -225.1371608 Hartree) Energy+ZPE= 321.4 kJ/mol ZPE= 0.0632506 CONNECTIONS: o TS58 (584.2) o EQ6 o TS83 (476.8) o EQ8 o TS169 (487.8) o EQ14 o TS170 (488.3) o EQ14 o TS805 (455.3) o EQ77 o TS806 (475.1) o EQ77 o TS807 (393.8) o EQ78 o TS808 (482.2) o EQ85 o TS809 (349.0) o EQ87 o TS810 (363.5) o EQ87 o TS811 (600.9) o EQ88 o TS812 (392.8) o EQ89 o TS813 (632.1) o EQ229 o TS814 (681.5) o EQ235 o TS815 (531.3) o DDC176 o TS816 (661.6) o DDC177 o TS817 (714.3) o DDC178 o UDC97 o
[ EQ74 ]
Cs ENERGY= 323.9 kJ/mol ( -225.1370912 Hartree) Energy+ZPE= 320.1 kJ/mol ZPE= 0.0626977 CONNECTIONS: o TS543 (402.3) o EQ41 o TS644 (592.3) o EQ52 o TS682 (613.5) o EQ56 o TS739 (327.1) o EQ63 o TS818 (467.8) o EQ84 o TS819 (580.2) o EQ88 o TS820 (638.4) o DDC179
[ EQ75 ]
Cs ENERGY= 326.6 kJ/mol ( -225.1360452 Hartree) Energy+ZPE= 321.9 kJ/mol ZPE= 0.0623275 CONNECTIONS: o TS391 (584.7) o EQ30 o TS593 (534.5) o EQ45 o TS672 (475.3) o EQ55 o TS821 (334.6) o EQ75 o TS822 (676.9) o EQ102 o TS823 (630.9) o EQ160 o TS824 (657.0) o EQ165 o TS825 (637.5) o EQ169 o TS826 (815.9) o EQ233 o TS827 (548.3) o DDC180 o TS828 (736.3) o DDC181 o TS829 (748.2) o DDC182 o TS830 (752.3) o DDC183 o UDC98 o o UDC99 o
[ EQ76 ]
Cs ENERGY= 326.9 kJ/mol ( -225.1359627 Hartree) Energy+ZPE= 308.3 kJ/mol ZPE= 0.0570456 CONNECTIONS: o TS831 (330.2) o DDC184 o TS832 (333.6) o DDC185 o TS833 (504.2) o DDC186
[ EQ77 ]
C1 ENERGY= 327.1 kJ/mol ( -225.1358886 Hartree) Energy+ZPE= 323.3 kJ/mol ZPE= 0.0626843 CONNECTIONS: o TS47 (589.9) o EQ5 o TS121 (487.1) o EQ10 o TS195 (535.8) o EQ17 o TS196 (542.2) o EQ17 o TS740 (560.4) o EQ63 o TS805 (455.3) o EQ73 o TS806 (475.1) o EQ73 o TS834 (327.1) o EQ77 o TS835 (354.2) o EQ85 o TS836 (362.8) o EQ85 o TS837 (707.7) o EQ87 o TS838 (390.9) o EQ88 o TS839 (600.0) o EQ89 o TS840 (504.7) o EQ91 o TS841 (784.6) o EQ105 o TS842 (541.0) o DDC187 o TS843 (576.6) o DDC188 o TS844 (710.8) o DDC189 o UDC100 o o UDC101 o
[ EQ78 ]
Cs ENERGY= 328.8 kJ/mol ( -225.1352294 Hartree) Energy+ZPE= 325.6 kJ/mol ZPE= 0.0629185 CONNECTIONS: o TS21 (562.0) o EQ3 o TS140 (509.7) o EQ12 o TS807 (393.8) o EQ73 o TS845 (527.0) o EQ87 o TS846 (555.2) o EQ87 o TS847 (491.7) o EQ88 o TS848 (734.9) o EQ88 o TS849 (355.3) o EQ89 o TS850 (374.8) o EQ89 o TS851 (456.6) o EQ98 o TS852 (502.1) o EQ98 o TS853 (416.1) o EQ123 o TS854 (414.6) o DDC190 o TS855 (521.7) o DDC191 o TS856 (642.0) o DDC192
[ EQ79 ]
C1 ENERGY= 330.0 kJ/mol ( -225.1347752 Hartree) Energy+ZPE= 322.3 kJ/mol ZPE= 0.0611894 CONNECTIONS: o TS221 (619.9) o EQ19 o TS351 (562.7) o EQ27 o TS392 (686.8) o EQ30 o TS714 (336.5) o EQ60 o TS760 (335.7) o EQ66 o TS857 (332.0) o EQ80 o TS858 (332.2) o EQ80 o TS859 (625.3) o EQ92 o TS860 (585.1) o EQ125
[ EQ80 ]
C1 ENERGY= 331.8 kJ/mol ( -225.1340765 Hartree) Energy+ZPE= 323.4 kJ/mol ZPE= 0.0609455 CONNECTIONS: o TS367 (674.9) o EQ28 o TS715 (585.0) o EQ60 o TS733 (507.4) o EQ62 o TS761 (335.3) o EQ66 o TS857 (332.0) o EQ79 o TS858 (332.2) o EQ79
[ EQ81 ]
C1 ENERGY= 332.5 kJ/mol ( -225.1338097 Hartree) Energy+ZPE= 326.3 kJ/mol ZPE= 0.0617616 CONNECTIONS: o TS84 (340.0) o EQ8 o TS275 (505.4) o EQ22 o TS544 (519.7) o EQ41 o TS861 (337.5) o EQ81 o TS862 (333.2) o EQ82 o UDC102 o
[ EQ82 ]
C1 ENERGY= 333.2 kJ/mol ( -225.1335625 Hartree) Energy+ZPE= 326.9 kJ/mol ZPE= 0.0617376 CONNECTIONS: o TS171 (510.1) o EQ14 o TS276 (508.5) o EQ22 o TS862 (333.2) o EQ81 o TS863 (338.0) o EQ82 o TS864 (542.1) o EQ84 o TS865 (557.6) o EQ84 o TS866 (735.3) o EQ179 o TS867 (804.3) o EQ179 o TS868 (722.0) o EQ190 o TS869 (675.5) o EQ229 o TS870 (645.5) o EQ235 o TS871 (530.6) o DDC193 o TS872 (676.0) o DDC194 o TS873 (704.1) o DDC195
[ EQ83 ]
C1 ENERGY= 339.5 kJ/mol ( -225.1311341 Hartree) Energy+ZPE= 331.5 kJ/mol ZPE= 0.0611009 CONNECTIONS: o TS236 (630.1) o EQ20 o TS289 (517.4) o EQ23 o TS290 (571.8) o EQ23 o TS299 (566.1) o EQ24 o TS741 (634.5) o EQ63 o TS742 (638.2) o EQ63 o TS778 (342.9) o EQ69 o TS779 (357.5) o EQ69 o TS874 (363.9) o EQ83 o TS875 (428.4) o DDC196 o TS876 (476.2) o DDC197 o TS877 (493.6) o DDC198 o TS878 (612.3) o DDC199 o UDC103 o
[ EQ84 ]
C1 ENERGY= 339.9 kJ/mol ( -225.1310099 Hartree) Energy+ZPE= 333.9 kJ/mol ZPE= 0.0618499 CONNECTIONS: o TS153 (512.0) o EQ13 o TS197 (524.8) o EQ17 o TS409 (538.8) o EQ33 o TS545 (453.8) o EQ41 o TS639 (460.5) o EQ51 o TS743 (463.6) o EQ63 o TS818 (467.8) o EQ74 o TS864 (542.1) o EQ82 o TS865 (557.6) o EQ82 o TS879 (347.0) o EQ84 o TS880 (356.4) o EQ84 o TS881 (409.8) o EQ91 o TS882 (412.7) o EQ91 o TS883 (797.7) o EQ236 o TS884 (898.5) o EQ247 o TS885 (800.9) o EQ249 o TS886 (538.9) o DDC200 o TS887 (554.3) o DDC201 o TS888 (554.5) o DDC202 o TS889 (556.3) o DDC203 o TS890 (686.2) o DDC204 o UDC104 o o UDC105 o
[ EQ85 ]
Cs ENERGY= 344.5 kJ/mol ( -225.1292558 Hartree) Energy+ZPE= 340.4 kJ/mol ZPE= 0.0625567 CONNECTIONS: o TS22 (614.7) o EQ3 o TS48 (549.8) o EQ5 o TS108 (497.3) o EQ9 o TS808 (482.2) o EQ73 o TS835 (354.2) o EQ77 o TS836 (362.8) o EQ77 o TS891 (473.3) o EQ87 o TS892 (412.5) o EQ98 o TS893 (538.3) o EQ98 o TS894 (655.6) o EQ235 o TS895 (669.8) o DDC205 o TS896 (792.0) o DDC206 o UDC106 o o UDC107 o
[ EQ86 ]
C1 ENERGY= 344.7 kJ/mol ( -225.1291617 Hartree) Energy+ZPE= 338.8 kJ/mol ZPE= 0.0619022 CONNECTIONS: o TS237 (605.6) o EQ20 o TS897 (375.9) o EQ94 o TS898 (377.8) o EQ94 o TS899 (379.6) o EQ94 o TS900 (385.3) o EQ96 o TS901 (404.6) o EQ96 o TS902 (473.0) o EQ96 o TS903 (589.1) o EQ126 o TS904 (565.3) o EQ131 o TS905 (708.9) o EQ190 o TS906 (637.5) o EQ204 o TS907 (492.1) o DDC207 o TS908 (548.1) o DDC208 o TS909 (752.8) o DDC209 o UDC108 o
[ EQ87 ]
Cs ENERGY= 345.7 kJ/mol ( -225.1288050 Hartree) Energy+ZPE= 342.4 kJ/mol ZPE= 0.0628796 CONNECTIONS: o TS59 (559.7) o EQ6 o TS129 (502.6) o EQ11 o TS809 (349.0) o EQ73 o TS810 (363.5) o EQ73 o TS837 (707.7) o EQ77 o TS845 (527.0) o EQ78 o TS846 (555.2) o EQ78 o TS891 (473.3) o EQ85 o TS910 (686.7) o EQ91 o TS911 (661.9) o EQ124 o TS912 (657.8) o EQ235 o TS913 (674.0) o EQ239 o TS914 (700.1) o EQ239 o TS915 (568.5) o DDC210 o UDC109 o
[ EQ88 ]
Cs ENERGY= 345.9 kJ/mol ( -225.1287091 Hartree) Energy+ZPE= 339.2 kJ/mol ZPE= 0.0615794 CONNECTIONS: o TS34 (604.4) o EQ4 o TS154 (532.6) o EQ13 o TS155 (539.8) o EQ13 o TS811 (600.9) o EQ73 o TS819 (580.2) o EQ74 o TS838 (390.9) o EQ77 o TS847 (491.7) o EQ78 o TS848 (734.9) o EQ78 o TS916 (441.3) o EQ89 o TS917 (495.4) o EQ89 o TS918 (523.8) o EQ91 o TS919 (376.5) o EQ98 o TS920 (382.2) o EQ98 o TS921 (709.0) o EQ98 o TS922 (506.7) o DDC211 o TS923 (506.7) o DDC212 o TS924 (585.3) o DDC213 o TS925 (732.3) o DDC214 o UDC110 o o UDC111 o
[ EQ89 ]
Cs ENERGY= 347.0 kJ/mol ( -225.1283050 Hartree) Energy+ZPE= 342.4 kJ/mol ZPE= 0.0623600 CONNECTIONS: o TS23 (581.5) o EQ3 o TS683 (562.3) o EQ56 o TS812 (392.8) o EQ73 o TS839 (600.0) o EQ77 o TS849 (355.3) o EQ78 o TS850 (374.8) o EQ78 o TS916 (441.3) o EQ88 o TS917 (495.4) o EQ88 o TS926 (531.6) o DDC215 o TS927 (565.8) o DDC216
[ EQ90 ]
Cs ENERGY= 347.1 kJ/mol ( -225.1282535 Hartree) Energy+ZPE= 337.9 kJ/mol ZPE= 0.0606438 CONNECTIONS: o TS531 (606.6) o EQ40 o TS560 (514.5) o EQ42 o TS561 (524.6) o EQ42 o TS594 (606.9) o EQ45 o TS624 (489.6) o EQ49 o TS928 (353.0) o EQ90 o TS929 (670.5) o EQ127 o TS930 (721.2) o EQ251 o TS931 (743.0) o EQ262 o TS932 (474.4) o DDC217 o TS933 (531.1) o DDC218 o TS934 (589.3) o DDC219 o TS935 (816.9) o DDC220 o UDC112 o o UDC113 o
[ EQ91 ]
C1 ENERGY= 349.4 kJ/mol ( -225.1273672 Hartree) Energy+ZPE= 342.1 kJ/mol ZPE= 0.0613445 CONNECTIONS: o TS181 (513.6) o EQ15 o TS203 (523.7) o EQ18 o TS291 (523.0) o EQ23 o TS402 (529.9) o EQ31 o TS546 (451.8) o EQ41 o TS547 (452.7) o EQ41 o TS684 (456.5) o EQ56 o TS840 (504.7) o EQ77 o TS881 (409.8) o EQ84 o TS882 (412.7) o EQ84 o TS910 (686.7) o EQ87 o TS918 (523.8) o EQ88 o TS936 (354.5) o EQ91 o TS937 (367.7) o EQ91 o TS938 (823.3) o EQ242 o TS939 (800.6) o EQ245 o TS940 (526.6) o DDC221 o TS941 (559.7) o DDC222 o TS942 (562.2) o DDC223 o UDC114 o o UDC115 o
[ EQ92 ]
Cs ENERGY= 354.6 kJ/mol ( -225.1253802 Hartree) Energy+ZPE= 350.0 kJ/mol ZPE= 0.0623836 CONNECTIONS: o TS393 (720.8) o EQ30 o TS625 (574.7) o EQ49 o TS762 (607.8) o EQ66 o TS763 (681.0) o EQ66 o TS859 (625.3) o EQ79 o TS943 (355.0) o EQ93 o TS944 (379.4) o EQ93 o TS945 (585.0) o EQ107 o TS946 (592.6) o EQ107 o TS947 (670.9) o EQ113 o TS948 (603.2) o EQ121 o TS949 (513.5) o EQ129 o TS950 (609.2) o EQ170 o TS951 (613.1) o EQ174 o TS952 (822.1) o EQ232 o TS953 (824.0) o EQ238 o TS954 (837.9) o EQ238 o TS955 (623.6) o DDC224 o TS956 (776.1) o DDC225 o UDC116 o o UDC117 o
[ EQ93 ]
C1 ENERGY= 354.9 kJ/mol ( -225.1252773 Hartree) Energy+ZPE= 349.7 kJ/mol ZPE= 0.0621529 CONNECTIONS: o TS943 (355.0) o EQ92 o TS944 (379.4) o EQ92 o TS957 (390.1) o EQ93 o TS958 (852.2) o EQ171 o TS959 (721.1) o EQ255 o UDC118 o
[ EQ94 ]
C1 ENERGY= 357.4 kJ/mol ( -225.1243177 Hartree) Energy+ZPE= 351.1 kJ/mol ZPE= 0.0617163 CONNECTIONS: o TS238 (612.3) o EQ20 o TS673 (479.0) o EQ55 o TS897 (375.9) o EQ86 o TS898 (377.8) o EQ86 o TS899 (379.6) o EQ86 o TS960 (389.6) o EQ102 o TS961 (434.4) o EQ102 o TS962 (484.1) o EQ102 o TS963 (608.0) o EQ126 o TS964 (722.2) o EQ179 o TS965 (624.7) o EQ184 o TS966 (723.0) o EQ201 o TS967 (513.5) o DDC226 o TS968 (779.1) o DDC227 o UDC119 o o UDC120 o
[ EQ95 ]
C1 ENERGY= 359.3 kJ/mol ( -225.1236233 Hartree) Energy+ZPE= 352.6 kJ/mol ZPE= 0.0615620 CONNECTIONS: o TS222 (507.9) o EQ19 o TS428 (591.9) o EQ34 o TS464 (584.2) o EQ36 o TS969 (388.3) o EQ95 o TS970 (427.4) o EQ95 o TS971 (479.6) o EQ95 o TS972 (465.3) o EQ105 o TS973 (469.4) o EQ105 o TS974 (498.7) o EQ105 o TS975 (473.0) o EQ151 o TS976 (592.8) o EQ155 o TS977 (725.1) o EQ258 o TS978 (741.4) o EQ259 o TS979 (436.6) o DDC228 o TS980 (450.8) o DDC229 o TS981 (453.1) o DDC230 o TS982 (639.6) o DDC231 o TS983 (653.5) o DDC232 o TS984 (696.3) o DDC233 o TS985 (719.5) o DDC234 o TS986 (763.8) o DDC235 o TS2155 (700.0) o xx o UDC121 o o UDC122 o
[ EQ96 ]
C1 ENERGY= 365.1 kJ/mol ( -225.1214147 Hartree) Energy+ZPE= 357.3 kJ/mol ZPE= 0.0611550 CONNECTIONS: o TS562 (786.7) o EQ42 o TS900 (385.3) o EQ86 o TS901 (404.6) o EQ86 o TS902 (473.0) o EQ86 o TS987 (377.5) o EQ102 o TS988 (394.7) o EQ102 o TS989 (404.2) o EQ102 o TS990 (692.7) o EQ129 o TS991 (645.1) o EQ133 o TS992 (646.2) o EQ133 o TS993 (716.0) o EQ187 o TS994 (533.7) o DDC236 o TS995 (603.1) o DDC237 o TS996 (627.4) o DDC238 o TS997 (648.3) o DDC239 o TS998 (757.0) o DDC240 o UDC123 o o UDC124 o
[ EQ97 ]
Cs ENERGY= 366.1 kJ/mol ( -225.1210113 Hartree) Energy+ZPE= 356.2 kJ/mol ZPE= 0.0603423 CONNECTIONS: o TS655 (580.2) o EQ53 o TS674 (590.5) o EQ55 o TS999 (367.8) o EQ100 o TS1000 (401.1) o EQ108 o TS1001 (737.9) o EQ261 o TS1002 (433.1) o DDC241 o TS1003 (444.1) o DDC242
[ EQ98 ]
Cs ENERGY= 366.5 kJ/mol ( -225.1208538 Hartree) Energy+ZPE= 359.0 kJ/mol ZPE= 0.0612714 CONNECTIONS: o TS35 (571.4) o EQ4 o TS851 (456.6) o EQ78 o TS852 (502.1) o EQ78 o TS892 (412.5) o EQ85 o TS893 (538.3) o EQ85 o TS919 (376.5) o EQ88 o TS920 (382.2) o EQ88 o TS921 (709.0) o EQ88 o TS1004 (503.2) o DDC243
[ EQ99 ]
Cs ENERGY= 367.0 kJ/mol ( -225.1206890 Hartree) Energy+ZPE= 359.9 kJ/mol ZPE= 0.0614087 CONNECTIONS: o TS308 (582.0) o EQ25 o TS324 (606.7) o EQ26 o TS1005 (458.6) o EQ106 o TS1006 (467.0) o EQ106 o TS1007 (559.7) o EQ106 o TS1008 (414.6) o EQ119 o TS1009 (436.5) o EQ119 o TS1010 (479.7) o EQ119 o TS1011 (397.9) o DDC244 o TS1012 (733.5) o DDC245 o TS1013 (779.0) o DDC246
[ EQ100 ]
Cs ENERGY= 367.8 kJ/mol ( -225.1203649 Hartree) Energy+ZPE= 357.3 kJ/mol ZPE= 0.0601252 CONNECTIONS: o TS405 (611.9) o EQ32 o TS999 (367.8) o EQ97 o TS1014 (776.1) o EQ146
[ EQ101 ]
Cs ENERGY= 373.5 kJ/mol ( -225.1182138 Hartree) Energy+ZPE= 359.7 kJ/mol ZPE= 0.0588599 CONNECTIONS: o TS1015 (645.3) o EQ104 o TS1016 (404.1) o EQ110 o TS1017 (441.9) o DDC247 o TS1018 (449.6) o DDC248
[ EQ102 ]
C1 ENERGY= 375.6 kJ/mol ( -225.1173885 Hartree) Energy+ZPE= 366.8 kJ/mol ZPE= 0.0607634 CONNECTIONS: o TS532 (595.1) o EQ40 o TS822 (676.9) o EQ75 o TS960 (389.6) o EQ94 o TS961 (434.4) o EQ94 o TS962 (484.1) o EQ94 o TS987 (377.5) o EQ96 o TS988 (394.7) o EQ96 o TS989 (404.2) o EQ96 o TS1019 (758.1) o EQ182 o TS1020 (591.4) o EQ184 o TS1021 (738.4) o EQ194 o TS1022 (543.1) o DDC249 o TS1023 (560.7) o DDC250 o TS1024 (631.4) o DDC251 o TS1025 (658.1) o DDC252 o TS1026 (771.3) o DDC253 o UDC125 o o UDC126 o o UDC127 o
[ EQ103 ]
C1 ENERGY= 377.2 kJ/mol ( -225.1167933 Hartree) Energy+ZPE= 362.9 kJ/mol ZPE= 0.0586980 CONNECTIONS: o TS1027 (454.2) o DDC254 o TS2156 (377.3) o xx o UDC128 o
[ EQ104 ]
C1 ENERGY= 378.5 kJ/mol ( -225.1162976 Hartree) Energy+ZPE= 364.3 kJ/mol ZPE= 0.0587396 CONNECTIONS: o TS1015 (645.3) o EQ101 o TS1028 (381.3) o EQ104 o TS1029 (647.6) o EQ104 o TS1030 (409.1) o EQ115 o TS1031 (413.5) o EQ115 o TS1032 (433.8) o EQ115 o TS1033 (576.3) o EQ137 o TS1034 (684.8) o DDC255 o TS1035 (769.7) o DDC256 o UDC129 o
[ EQ105 ]
Cs ENERGY= 379.1 kJ/mol ( -225.1160757 Hartree) Energy+ZPE= 369.7 kJ/mol ZPE= 0.0605398 CONNECTIONS: o TS24 (602.4) o EQ3 o TS260 (575.4) o EQ21 o TS352 (569.9) o EQ27 o TS483 (613.7) o EQ37 o TS579 (600.0) o EQ44 o TS615 (614.0) o EQ48 o TS645 (601.5) o EQ52 o TS734 (496.5) o EQ62 o TS841 (784.6) o EQ77 o TS972 (465.3) o EQ95 o TS973 (469.4) o EQ95 o TS974 (498.7) o EQ95 o TS1036 (441.2) o EQ105 o TS1037 (473.3) o EQ105 o TS1038 (566.8) o EQ154 o TS1039 (578.6) o EQ159 o TS1040 (740.7) o EQ259 o TS1041 (742.9) o EQ263 o TS1042 (515.0) o DDC257 o TS1043 (594.5) o DDC258 o TS1044 (617.8) o DDC259 o TS1045 (697.7) o DDC260 o TS1046 (843.9) o DDC261
[ EQ106 ]
C1 ENERGY= 380.2 kJ/mol ( -225.1156486 Hartree) Energy+ZPE= 374.5 kJ/mol ZPE= 0.0619629 CONNECTIONS: o TS6 (568.8) o EQ0 o TS7 (650.5) o EQ0 o TS379 (596.6) o EQ29 o TS514 (623.8) o EQ39 o TS608 (595.2) o EQ47 o TS689 (625.8) o EQ57 o TS774 (890.2) o EQ68 o TS1005 (458.6) o EQ99 o TS1006 (467.0) o EQ99 o TS1007 (559.7) o EQ99 o TS1047 (382.9) o EQ106 o TS1048 (392.2) o EQ106 o TS1049 (445.3) o EQ106 o TS1050 (494.4) o EQ106 o TS1051 (581.7) o EQ106 o TS1052 (602.0) o EQ106 o TS1053 (760.9) o EQ106 o TS1054 (528.1) o EQ139 o TS1055 (821.8) o EQ147 o TS1056 (549.8) o EQ191 o TS1057 (743.8) o EQ258 o TS1058 (524.4) o DDC262 o TS1059 (645.5) o DDC263 o TS1060 (767.5) o DDC264 o TS1061 (773.0) o DDC265 o UDC130 o
[ EQ107 ]
C1 ENERGY= 384.9 kJ/mol ( -225.1138510 Hartree) Energy+ZPE= 380.4 kJ/mol ZPE= 0.0624015 CONNECTIONS: o TS109 (455.7) o EQ9 o TS172 (694.0) o EQ14 o TS945 (585.0) o EQ92 o TS946 (592.6) o EQ92 o TS1062 (560.2) o EQ107 o TS1063 (407.9) o EQ121 o TS1064 (411.2) o EQ121 o TS1065 (432.7) o EQ121 o TS1066 (573.4) o EQ176 o TS1067 (749.3) o EQ238 o TS1068 (777.3) o EQ243 o TS1069 (429.0) o DDC266 o TS1070 (661.4) o DDC267
[ EQ108 ]
Cs ENERGY= 387.4 kJ/mol ( -225.1128999 Hartree) Energy+ZPE= 374.2 kJ/mol ZPE= 0.0591122 CONNECTIONS: o TS696 (540.2) o EQ58 o TS697 (598.5) o EQ58 o TS1000 (401.1) o EQ97 o TS1071 (393.2) o EQ108 o TS1072 (414.6) o DDC268 o TS1073 (468.0) o DDC269 o TS1074 (587.7) o DDC270 o TS1075 (698.5) o DDC271
[ EQ109 ]
C1 ENERGY= 390.6 kJ/mol ( -225.1116900 Hartree) Energy+ZPE= 385.4 kJ/mol ZPE= 0.0621395 CONNECTIONS: o TS36 (539.7) o EQ4 o TS37 (557.1) o EQ4 o TS141 (441.5) o EQ12 o TS182 (403.0) o EQ15 o TS261 (536.0) o EQ21 o TS262 (541.6) o EQ21 o TS548 (489.7) o EQ41 o TS549 (501.2) o EQ41 o TS1076 (419.8) o EQ124 o TS1077 (444.4) o EQ124 o TS1078 (541.3) o DDC272 o TS1079 (683.3) o DDC273 o TS1080 (684.9) o DDC274 o UDC131 o
[ EQ110 ]
Cs ENERGY= 393.6 kJ/mol ( -225.1105572 Hartree) Energy+ZPE= 379.2 kJ/mol ZPE= 0.0586424 CONNECTIONS: o TS1016 (404.1) o EQ101 o TS1081 (407.8) o EQ115 o TS1082 (441.2) o DDC275
[ EQ111 ]
Cs ENERGY= 393.8 kJ/mol ( -225.1104777 Hartree) Energy+ZPE= 388.9 kJ/mol ZPE= 0.0622467 CONNECTIONS: o TS465 (502.7) o EQ36 o TS500 (764.4) o EQ38 o TS501 (797.7) o EQ38 o TS1083 (432.3) o EQ132 o TS1084 (528.2) o EQ142 o TS1085 (803.2) o EQ275 o TS1086 (417.6) o DDC276 o TS1087 (572.5) o DDC277 o TS1088 (612.3) o DDC278
[ EQ112 ]
C1 ENERGY= 394.4 kJ/mol ( -225.1102309 Hartree) Energy+ZPE= 385.6 kJ/mol ZPE= 0.0607693 CONNECTIONS: o TS325 (400.8) o EQ26 o TS801 (501.3) o EQ72 o TS1089 (394.7) o EQ112 o TS1090 (445.1) o EQ112 o TS1091 (477.0) o EQ112 o TS1092 (529.9) o EQ147 o TS1093 (664.1) o EQ217 o TS1094 (776.6) o EQ252 o TS1095 (761.7) o EQ254 o TS1096 (775.7) o EQ257 o TS1097 (770.1) o EQ264 o TS1098 (990.8) o EQ297 o TS1099 (592.4) o DDC279 o TS1100 (853.0) o DDC280 o UDC132 o o UDC133 o
[ EQ113 ]
Cs ENERGY= 398.4 kJ/mol ( -225.1087299 Hartree) Energy+ZPE= 390.4 kJ/mol ZPE= 0.0610931 CONNECTIONS: o TS947 (670.9) o EQ92 o TS1101 (415.2) o EQ122 o TS1102 (446.4) o EQ122 o TS1103 (442.6) o EQ128 o TS1104 (601.6) o EQ128 o TS1105 (595.1) o EQ131 o TS1106 (761.2) o EQ186 o TS1107 (738.5) o EQ210 o TS1108 (640.6) o EQ230 o TS1109 (713.8) o EQ243 o TS1110 (695.7) o EQ248 o TS1111 (713.3) o EQ248
[ EQ114 ]
Cs ENERGY= 399.0 kJ/mol ( -225.1084757 Hartree) Energy+ZPE= 386.4 kJ/mol ZPE= 0.0593323 CONNECTIONS: o TS1112 (405.8) o EQ114 o TS1113 (408.8) o EQ116 o TS1114 (428.1) o DDC281 o TS1115 (429.7) o DDC282 o TS1116 (528.8) o DDC283 o TS1117 (651.8) o DDC284 o TS1118 (652.1) o DDC285 o UDC134 o
[ EQ115 ]
C1 ENERGY= 400.9 kJ/mol ( -225.1077748 Hartree) Energy+ZPE= 385.3 kJ/mol ZPE= 0.0581821 CONNECTIONS: o TS1030 (409.1) o EQ104 o TS1031 (413.5) o EQ104 o TS1032 (433.8) o EQ104 o TS1081 (407.8) o EQ110 o TS1119 (402.5) o EQ115
[ EQ116 ]
Cs ENERGY= 403.6 kJ/mol ( -225.1067250 Hartree) Energy+ZPE= 393.2 kJ/mol ZPE= 0.0601612 CONNECTIONS: o TS309 (409.1) o EQ25 o TS1113 (408.8) o EQ114
[ EQ117 ]
C1 ENERGY= 404.2 kJ/mol ( -225.1064927 Hartree) Energy+ZPE= 393.8 kJ/mol ZPE= 0.0601759 CONNECTIONS: o TS1120 (417.6) o EQ117 o TS1121 (601.4) o EQ130 o TS1122 (419.6) o DDC286 o UDC135 o
[ EQ118 ]
Cs ENERGY= 404.7 kJ/mol ( -225.1063043 Hartree) Energy+ZPE= 396.7 kJ/mol ZPE= 0.0611019 CONNECTIONS: o TS716 (685.7) o EQ60 o TS717 (699.9) o EQ60 o TS1123 (437.3) o EQ122 o TS1124 (596.7) o EQ122 o TS1125 (442.7) o EQ128 o TS1126 (448.4) o EQ128 o TS1127 (759.3) o EQ161 o TS1128 (601.7) o EQ173 o TS1129 (516.7) o DDC287 o TS1130 (577.3) o DDC288 o TS1131 (702.0) o DDC289 o TS1132 (750.2) o DDC290 o TS1133 (994.8) o DDC291 o UDC136 o
[ EQ119 ]
Cs ENERGY= 404.9 kJ/mol ( -225.1062537 Hartree) Energy+ZPE= 396.7 kJ/mol ZPE= 0.0609898 CONNECTIONS: o TS571 (611.3) o EQ43 o TS1008 (414.6) o EQ99 o TS1009 (436.5) o EQ99 o TS1010 (479.7) o EQ99 o TS1134 (460.1) o DDC292 o TS1135 (710.6) o DDC293
[ EQ120 ]
C1 ENERGY= 406.8 kJ/mol ( -225.1055300 Hartree) Energy+ZPE= 403.1 kJ/mol ZPE= 0.0627038 CONNECTIONS: o TS38 (697.3) o EQ4 o TS484 (508.4) o EQ37 o TS502 (770.9) o EQ38 o TS515 (482.9) o EQ39 o TS749 (573.8) o EQ64 o TS1136 (416.3) o EQ120 o TS1137 (510.2) o EQ132 o TS1138 (450.4) o EQ142 o TS1139 (785.6) o EQ275 o TS1140 (520.0) o DDC294 o TS1141 (583.6) o DDC295 o TS1142 (614.0) o DDC296 o TS1143 (635.4) o DDC297 o UDC137 o
[ EQ121 ]
C1 ENERGY= 407.2 kJ/mol ( -225.1053676 Hartree) Energy+ZPE= 400.4 kJ/mol ZPE= 0.0615239 CONNECTIONS: o TS656 (721.1) o EQ53 o TS948 (603.2) o EQ92 o TS1063 (407.9) o EQ107 o TS1064 (411.2) o EQ107 o TS1065 (432.7) o EQ107 o TS1144 (688.2) o DDC298 o TS1145 (761.3) o DDC299
[ EQ122 ]
Cs ENERGY= 407.7 kJ/mol ( -225.1051922 Hartree) Energy+ZPE= 399.3 kJ/mol ZPE= 0.0609227 CONNECTIONS: o TS1101 (415.2) o EQ113 o TS1102 (446.4) o EQ113 o TS1123 (437.3) o EQ118 o TS1124 (596.7) o EQ118 o TS1146 (793.6) o EQ129 o TS1147 (747.7) o EQ160 o TS1148 (742.8) o EQ200 o TS1149 (786.5) o EQ213 o TS1150 (688.6) o EQ243 o TS1151 (716.4) o EQ243 o UDC138 o
[ EQ123 ]
C1 ENERGY= 407.7 kJ/mol ( -225.1051657 Hartree) Energy+ZPE= 398.2 kJ/mol ZPE= 0.0605217 CONNECTIONS: o TS853 (416.1) o EQ78 o TS1152 (422.1) o DDC300
[ EQ124 ]
C1 ENERGY= 408.8 kJ/mol ( -225.1047563 Hartree) Energy+ZPE= 402.3 kJ/mol ZPE= 0.0616735 CONNECTIONS: o TS49 (544.1) o EQ5 o TS173 (458.1) o EQ14 o TS174 (475.5) o EQ14 o TS204 (423.8) o EQ18 o TS263 (552.8) o EQ21 o TS264 (554.5) o EQ21 o TS550 (502.5) o EQ41 o TS640 (514.2) o EQ51 o TS911 (661.9) o EQ87 o TS1076 (419.8) o EQ109 o TS1077 (444.4) o EQ109 o TS1153 (920.4) o EQ285 o TS1154 (557.6) o DDC301 o TS1155 (667.3) o DDC302 o TS1156 (692.8) o DDC303 o UDC139 o
[ EQ125 ]
C1 ENERGY= 410.1 kJ/mol ( -225.1042525 Hartree) Energy+ZPE= 404.9 kJ/mol ZPE= 0.0621414 CONNECTIONS: o TS292 (685.2) o EQ23 o TS485 (611.4) o EQ37 o TS860 (585.1) o EQ79 o TS1157 (605.7) o EQ126 o TS1158 (511.6) o EQ127 o TS1159 (524.9) o EQ127 o TS1160 (612.6) o EQ127 o TS1161 (618.4) o EQ127 o TS1162 (611.5) o EQ129 o TS1163 (555.1) o EQ133 o TS1164 (621.8) o EQ136 o TS1165 (618.9) o EQ145 o TS1166 (750.0) o EQ145 o TS1167 (650.3) o EQ184 o TS1168 (732.7) o EQ187 o TS1169 (709.2) o EQ228 o TS1170 (710.8) o EQ234 o TS1171 (784.9) o EQ266 o UDC140 o o UDC141 o
[ EQ126 ]
Cs ENERGY= 412.2 kJ/mol ( -225.1034686 Hartree) Energy+ZPE= 405.7 kJ/mol ZPE= 0.0616595 CONNECTIONS: o TS368 (461.0) o EQ28 o TS563 (583.4) o EQ42 o TS780 (653.5) o EQ69 o TS781 (656.0) o EQ69 o TS903 (589.1) o EQ86 o TS963 (608.0) o EQ94 o TS1157 (605.7) o EQ125 o TS1172 (617.7) o EQ126 o TS1173 (612.0) o EQ127 o TS1174 (564.0) o EQ133 o TS1175 (569.5) o EQ133 o TS1176 (615.8) o EQ152 o TS1177 (930.7) o EQ231 o TS1178 (902.4) o EQ234 o TS1179 (724.9) o EQ246 o TS1180 (598.2) o DDC304 o TS1181 (739.0) o DDC305 o TS1182 (753.2) o DDC306 o UDC142 o o UDC143 o o UDC144 o o UDC145 o
[ EQ127 ]
C1 ENERGY= 415.3 kJ/mol ( -225.1022831 Hartree) Energy+ZPE= 409.9 kJ/mol ZPE= 0.0620587 CONNECTIONS: o TS293 (697.8) o EQ23 o TS429 (632.6) o EQ34 o TS580 (607.7) o EQ44 o TS646 (627.9) o EQ52 o TS929 (670.5) o EQ90 o TS1158 (511.6) o EQ125 o TS1159 (524.9) o EQ125 o TS1160 (612.6) o EQ125 o TS1161 (618.4) o EQ125 o TS1173 (612.0) o EQ126 o TS1183 (459.3) o EQ127 o TS1184 (628.9) o EQ129 o TS1185 (540.5) o EQ133 o TS1186 (608.5) o EQ136 o TS1187 (625.2) o EQ140 o TS1188 (768.7) o EQ178 o TS1189 (738.7) o EQ231 o TS1190 (765.3) o EQ253 o TS1191 (778.3) o EQ266 o TS1192 (786.2) o EQ270 o TS1193 (591.2) o DDC307 o TS1194 (605.4) o DDC308 o TS1195 (610.7) o DDC309 o TS1196 (855.7) o DDC310 o TS1197 (864.3) o DDC311 o UDC146 o o UDC147 o o UDC148 o
[ EQ128 ]
Cs ENERGY= 417.9 kJ/mol ( -225.1012696 Hartree) Energy+ZPE= 410.4 kJ/mol ZPE= 0.0612901 CONNECTIONS: o TS1103 (442.6) o EQ113 o TS1104 (601.6) o EQ113 o TS1125 (442.7) o EQ118 o TS1126 (448.4) o EQ118 o TS1198 (645.1) o EQ192 o TS1199 (832.0) o DDC312
[ EQ129 ]
Cs ENERGY= 422.1 kJ/mol ( -225.0996940 Hartree) Energy+ZPE= 413.6 kJ/mol ZPE= 0.0609072 CONNECTIONS: o TS949 (513.5) o EQ92 o TS990 (692.7) o EQ96 o TS1146 (793.6) o EQ122 o TS1162 (611.5) o EQ125 o TS1184 (628.9) o EQ127 o TS1200 (592.2) o EQ129 o TS1201 (471.7) o EQ136 o TS1202 (454.5) o EQ145 o TS1203 (899.9) o EQ247 o TS1204 (873.1) o DDC313
[ EQ130 ]
Cs ENERGY= 422.5 kJ/mol ( -225.0995298 Hartree) Energy+ZPE= 417.4 kJ/mol ZPE= 0.0621967 CONNECTIONS: o TS183 (439.2) o EQ15 o TS1121 (601.4) o EQ117 o TS1205 (436.8) o EQ130 o TS1206 (477.0) o EQ134 o TS1207 (450.6) o DDC314 o TS1208 (623.9) o DDC315 o TS1209 (788.0) o DDC316 o UDC149 o
[ EQ131 ]
Cs ENERGY= 423.0 kJ/mol ( -225.0993436 Hartree) Energy+ZPE= 417.7 kJ/mol ZPE= 0.0620941 CONNECTIONS: o TS904 (565.3) o EQ86 o TS1105 (595.1) o EQ113 o TS1210 (487.4) o EQ131 o TS1211 (626.6) o EQ152 o TS1212 (833.4) o EQ219 o TS1213 (625.6) o EQ223 o TS1214 (469.1) o DDC317 o TS1215 (561.4) o DDC318 o TS1216 (676.4) o DDC319
[ EQ132 ]
C1 ENERGY= 423.8 kJ/mol ( -225.0990434 Hartree) Energy+ZPE= 418.5 kJ/mol ZPE= 0.0621052 CONNECTIONS: o TS380 (479.5) o EQ29 o TS581 (521.5) o EQ44 o TS1083 (432.3) o EQ111 o TS1137 (510.2) o EQ120 o TS1217 (431.2) o EQ132 o TS1218 (526.9) o DDC320 o TS1219 (592.2) o DDC321 o TS1220 (638.8) o DDC322 o TS1221 (648.4) o DDC323 o UDC150 o
[ EQ133 ]
C1 ENERGY= 428.2 kJ/mol ( -225.0973712 Hartree) Energy+ZPE= 418.5 kJ/mol ZPE= 0.0604491 CONNECTIONS: o TS595 (601.2) o EQ45 o TS991 (645.1) o EQ96 o TS992 (646.2) o EQ96 o TS1163 (555.1) o EQ125 o TS1174 (564.0) o EQ126 o TS1175 (569.5) o EQ126 o TS1185 (540.5) o EQ127 o TS1222 (429.5) o EQ133 o TS1223 (476.1) o EQ133 o TS1224 (618.8) o EQ133 o TS1225 (660.1) o EQ178 o TS1226 (666.6) o EQ182 o TS1227 (831.1) o EQ187 o TS1228 (847.6) o EQ194 o TS1229 (555.7) o DDC324 o TS1230 (753.5) o DDC325 o UDC151 o
[ EQ134 ]
Cs ENERGY= 429.2 kJ/mol ( -225.0969792 Hartree) Energy+ZPE= 424.9 kJ/mol ZPE= 0.0624857 CONNECTIONS: o TS205 (444.7) o EQ18 o TS632 (592.6) o EQ50 o TS1206 (477.0) o EQ130 o TS1231 (444.9) o EQ134 o TS1232 (451.9) o DDC326 o TS1233 (628.4) o DDC327
[ EQ135 ]
C1 ENERGY= 429.8 kJ/mol ( -225.0967375 Hartree) Energy+ZPE= 430.2 kJ/mol ZPE= 0.0642686 CONNECTIONS: o TS1234 (639.3) o EQ144 o TS1235 (553.4) o EQ146 o TS1236 (502.2) o EQ148 o TS1237 (608.3) o EQ152 o TS1238 (609.2) o EQ152 o TS1239 (620.8) o EQ165 o TS1240 (696.7) o EQ216 o TS1241 (635.0) o EQ217 o TS1242 (730.1) o EQ223 o TS1243 (808.9) o EQ274 o TS1244 (533.0) o DDC328 o TS1245 (538.7) o DDC329 o TS1246 (599.6) o DDC330 o TS1247 (636.5) o DDC331 o TS1248 (787.4) o DDC332 o UDC152 o o UDC153 o o UDC154 o
[ EQ136 ]
C1 ENERGY= 435.4 kJ/mol ( -225.0946380 Hartree) Energy+ZPE= 426.9 kJ/mol ZPE= 0.0609017 CONNECTIONS: o TS294 (606.8) o EQ23 o TS300 (599.8) o EQ24 o TS301 (626.6) o EQ24 o TS410 (623.9) o EQ33 o TS453 (628.2) o EQ35 o TS1164 (621.8) o EQ125 o TS1186 (608.5) o EQ127 o TS1201 (471.7) o EQ129 o TS1249 (451.2) o EQ136 o TS1250 (609.9) o EQ136 o TS1251 (446.5) o EQ140 o TS1252 (675.3) o EQ171 o TS1253 (573.8) o DDC333 o TS1254 (592.7) o DDC334 o TS1255 (825.6) o DDC335 o TS1256 (882.5) o DDC336 o UDC155 o
[ EQ137 ]
Cs ENERGY= 438.4 kJ/mol ( -225.0934827 Hartree) Energy+ZPE= 424.3 kJ/mol ZPE= 0.0587733 CONNECTIONS: o TS1033 (576.3) o EQ104 o TS1257 (446.9) o EQ137 o TS1258 (440.5) o DDC337 o TS1259 (708.3) o DDC338 o TS1260 (709.6) o DDC339 o UDC156 o
[ EQ138 ]
C1 ENERGY= 438.5 kJ/mol ( -225.0934560 Hartree) Energy+ZPE= 424.4 kJ/mol ZPE= 0.0587689 CONNECTIONS:
[ EQ139 ]
C1 ENERGY= 439.5 kJ/mol ( -225.0930584 Hartree) Energy+ZPE= 429.8 kJ/mol ZPE= 0.0604237 CONNECTIONS: o TS326 (533.9) o EQ26 o TS769 (462.0) o EQ67 o TS1054 (528.1) o EQ106 o TS1261 (442.3) o EQ139 o TS1262 (469.5) o EQ139 o TS1263 (469.8) o EQ139 o TS1264 (478.0) o EQ147 o TS1265 (998.5) o EQ198 o TS1266 (987.0) o EQ296 o TS1267 (987.2) o EQ296 o TS1268 (594.6) o DDC340 o TS1269 (595.5) o DDC341 o TS1270 (707.2) o DDC342 o TS1271 (810.2) o DDC343 o TS1272 (832.6) o DDC344 o UDC157 o o UDC158 o o UDC159 o
[ EQ140 ]
C1 ENERGY= 440.4 kJ/mol ( -225.0927331 Hartree) Energy+ZPE= 431.3 kJ/mol ZPE= 0.0606720 CONNECTIONS: o TS626 (563.6) o EQ49 o TS1187 (625.2) o EQ127 o TS1251 (446.5) o EQ136 o TS1273 (447.4) o EQ140 o TS1274 (583.9) o EQ140 o TS1275 (692.1) o EQ175 o TS1276 (908.5) o EQ249 o TS1277 (568.3) o DDC345 o TS1278 (598.8) o DDC346 o UDC160 o
[ EQ141 ]
Cs ENERGY= 444.8 kJ/mol ( -225.0910437 Hartree) Energy+ZPE= 437.9 kJ/mol ZPE= 0.0614937 CONNECTIONS: o TS223 (616.5) o EQ19 o TS705 (471.7) o EQ59 o TS764 (592.5) o EQ66 o TS1279 (466.2) o EQ141 o TS1280 (623.1) o EQ154 o TS1281 (503.0) o DDC347 o TS1282 (583.9) o DDC348 o TS1283 (659.3) o DDC349 o TS1284 (701.0) o DDC350
[ EQ142 ]
Cs ENERGY= 445.1 kJ/mol ( -225.0909371 Hartree) Energy+ZPE= 437.8 kJ/mol ZPE= 0.0613541 CONNECTIONS: o TS430 (534.0) o EQ34 o TS1084 (528.2) o EQ111 o TS1138 (450.4) o EQ120 o TS1285 (620.7) o EQ197 o TS1286 (579.5) o EQ205 o TS1287 (588.0) o DDC351 o TS1288 (627.8) o DDC352 o UDC161 o
[ EQ143 ]
C1 ENERGY= 449.3 kJ/mol ( -225.0893345 Hartree) Energy+ZPE= 437.2 kJ/mol ZPE= 0.0595208 CONNECTIONS: o TS85 (453.3) o EQ8 o TS86 (492.7) o EQ8 o TS110 (451.8) o EQ9 o TS1289 (457.7) o EQ143 o TS1290 (468.8) o EQ149 o TS1291 (758.4) o EQ235 o TS1292 (892.3) o EQ283 o TS1293 (484.0) o DDC353 o TS1294 (497.8) o DDC354 o TS1295 (608.6) o DDC355 o UDC162 o
[ EQ144 ]
C1 ENERGY= 451.3 kJ/mol ( -225.0885488 Hartree) Energy+ZPE= 438.6 kJ/mol ZPE= 0.0592913 CONNECTIONS: o TS369 (638.3) o EQ28 o TS1234 (639.3) o EQ135 o TS1296 (456.4) o EQ144 o TS1297 (502.0) o EQ144 o TS1298 (771.1) o EQ146 o TS1299 (482.6) o EQ157 o TS1300 (633.1) o EQ216 o TS1301 (454.7) o DDC356
[ EQ145 ]
C1 ENERGY= 453.5 kJ/mol ( -225.0877149 Hartree) Energy+ZPE= 444.6 kJ/mol ZPE= 0.0607411 CONNECTIONS: o TS790 (576.1) o EQ70 o TS1165 (618.9) o EQ125 o TS1166 (750.0) o EQ125 o TS1202 (454.5) o EQ129 o TS1302 (458.9) o EQ145 o TS1303 (586.4) o EQ145
[ EQ146 ]
C1 ENERGY= 454.8 kJ/mol ( -225.0872254 Hartree) Energy+ZPE= 454.5 kJ/mol ZPE= 0.0640154 CONNECTIONS: o TS775 (878.8) o EQ68 o TS782 (675.1) o EQ69 o TS1014 (776.1) o EQ100 o TS1235 (553.4) o EQ135 o TS1298 (771.1) o EQ144 o TS1304 (460.6) o EQ148 o TS1305 (603.4) o EQ152 o TS1306 (802.6) o EQ201 o TS1307 (648.8) o EQ218 o TS1308 (797.6) o EQ273 o TS1309 (550.9) o DDC357 o TS1310 (629.9) o DDC358 o TS1311 (647.7) o DDC359 o TS1312 (815.2) o DDC360 o UDC163 o
[ EQ147 ]
C1 ENERGY= 459.6 kJ/mol ( -225.0854213 Hartree) Energy+ZPE= 449.0 kJ/mol ZPE= 0.0600891 CONNECTIONS: o TS802 (478.0) o EQ72 o TS1055 (821.8) o EQ106 o TS1092 (529.9) o EQ112 o TS1264 (478.0) o EQ139 o TS1313 (463.7) o EQ147 o TS1314 (482.4) o EQ147 o TS1315 (486.8) o EQ147 o TS1316 (808.2) o EQ241 o TS1317 (999.4) o EQ296 o TS1318 (596.3) o DDC361 o TS1319 (785.7) o DDC362 o UDC164 o
[ EQ148 ]
C1 ENERGY= 459.6 kJ/mol ( -225.0854032 Hartree) Energy+ZPE= 457.9 kJ/mol ZPE= 0.0634780 CONNECTIONS: o TS698 (688.2) o EQ58 o TS1236 (502.2) o EQ135 o TS1304 (460.6) o EQ146 o TS1320 (650.6) o DDC363 o TS1321 (678.0) o DDC364 o TS1322 (800.2) o DDC365 o TS1323 (845.0) o DDC366 o UDC165 o
[ EQ149 ]
Cs ENERGY= 468.3 kJ/mol ( -225.0820777 Hartree) Energy+ZPE= 453.7 kJ/mol ZPE= 0.0585678 CONNECTIONS: o TS1290 (468.8) o EQ143 o TS1324 (511.1) o DDC367 o UDC166 o
[ EQ150 ]
C1 ENERGY= 469.6 kJ/mol ( -225.0816057 Hartree) Energy+ZPE= 461.6 kJ/mol ZPE= 0.0610893 CONNECTIONS: o TS765 (497.8) o EQ66 o TS1325 (572.7) o EQ150 o TS1326 (777.5) o EQ161 o TS1327 (645.2) o EQ163 o TS1328 (556.6) o EQ165 o TS1329 (810.1) o EQ165 o TS1330 (628.5) o EQ184 o TS1331 (695.2) o EQ236 o TS1332 (471.5) o DDC368 o TS1333 (740.5) o DDC369 o UDC167 o
[ EQ151 ]
Cs ENERGY= 471.1 kJ/mol ( -225.0810127 Hartree) Energy+ZPE= 466.1 kJ/mol ZPE= 0.0622229 CONNECTIONS: o TS503 (618.5) o EQ38 o TS975 (473.0) o EQ95 o TS1334 (480.4) o EQ151 o TS1335 (607.8) o DDC370 o TS1336 (623.9) o DDC371 o TS1337 (647.9) o DDC372 o TS1338 (674.0) o DDC373
[ EQ152 ]
C1 ENERGY= 471.1 kJ/mol ( -225.0810110 Hartree) Energy+ZPE= 462.5 kJ/mol ZPE= 0.0608478 CONNECTIONS: o TS1176 (615.8) o EQ126 o TS1211 (626.6) o EQ131 o TS1237 (608.3) o EQ135 o TS1238 (609.2) o EQ135 o TS1305 (603.4) o EQ146 o TS1339 (482.2) o EQ152 o TS1340 (652.4) o EQ152 o TS1341 (541.2) o EQ179 o TS1342 (476.7) o DDC374 o UDC168 o
[ EQ153 ]
Cs ENERGY= 476.2 kJ/mol ( -225.0790911 Hartree) Energy+ZPE= 460.9 kJ/mol ZPE= 0.0582928 CONNECTIONS: o TS224 (491.1) o EQ19 o TS466 (520.0) o EQ36 o TS601 (537.9) o EQ46 o TS1343 (487.8) o EQ158 o TS1344 (477.7) o DDC375 o TS1345 (564.6) o DDC376
[ EQ154 ]
Cs ENERGY= 477.2 kJ/mol ( -225.0787158 Hartree) Energy+ZPE= 470.3 kJ/mol ZPE= 0.0615117 CONNECTIONS: o TS353 (613.7) o EQ27 o TS1038 (566.8) o EQ105 o TS1280 (623.1) o EQ141 o TS1346 (484.4) o EQ154 o TS1347 (503.4) o EQ159 o TS1348 (510.3) o DDC377 o TS1349 (721.4) o DDC378
[ EQ155 ]
Cs ENERGY= 479.5 kJ/mol ( -225.0778148 Hartree) Energy+ZPE= 473.3 kJ/mol ZPE= 0.0617586 CONNECTIONS: o TS504 (566.9) o EQ38 o TS976 (592.8) o EQ95 o TS1350 (547.0) o EQ191 o TS1351 (482.3) o DDC379
[ EQ156 ]
Cs ENERGY= 481.8 kJ/mol ( -225.0769526 Hartree) Energy+ZPE= 463.8 kJ/mol ZPE= 0.0572868 CONNECTIONS: o TS582 (521.0) o EQ44 o TS1352 (482.0) o DDC380 o TS1353 (693.0) o DDC381
[ EQ157 ]
C1 ENERGY= 482.2 kJ/mol ( -225.0767947 Hartree) Energy+ZPE= 472.1 kJ/mol ZPE= 0.0602665 CONNECTIONS: o TS770 (688.9) o EQ67 o TS1299 (482.6) o EQ144 o TS1354 (483.2) o EQ157 o TS1355 (523.7) o EQ157 o TS1356 (1033.7) o EQ288 o TS1357 (522.1) o DDC382 o TS1358 (933.9) o DDC383 o UDC169 o
[ EQ158 ]
Cs ENERGY= 486.2 kJ/mol ( -225.0752643 Hartree) Energy+ZPE= 472.4 kJ/mol ZPE= 0.0588904 CONNECTIONS: o TS225 (502.5) o EQ19 o TS1343 (487.8) o EQ153 o TS1359 (493.8) o DDC384 o TS1360 (540.3) o DDC385 o TS1361 (697.6) o DDC386
[ EQ159 ]
Cs ENERGY= 487.0 kJ/mol ( -225.0749753 Hartree) Energy+ZPE= 479.0 kJ/mol ZPE= 0.0610778 CONNECTIONS: o TS265 (615.1) o EQ21 o TS1039 (578.6) o EQ105 o TS1347 (503.4) o EQ154 o TS1362 (494.2) o EQ159 o TS1363 (504.5) o DDC387 o TS1364 (712.8) o DDC388
[ EQ160 ]
C1 ENERGY= 490.5 kJ/mol ( -225.0736363 Hartree) Energy+ZPE= 484.1 kJ/mol ZPE= 0.0616785 CONNECTIONS: o TS627 (618.8) o EQ49 o TS675 (632.5) o EQ55 o TS791 (641.9) o EQ70 o TS823 (630.9) o EQ75 o TS1147 (747.7) o EQ122 o TS1365 (503.7) o EQ160 o TS1366 (690.9) o EQ169 o TS1367 (693.8) o EQ169 o TS1368 (695.3) o EQ192 o TS1369 (655.9) o EQ193 o TS1370 (753.0) o EQ233 o TS1371 (848.6) o EQ233 o TS1372 (751.4) o EQ251 o TS1373 (854.7) o EQ261 o TS1374 (906.2) o DDC389 o TS1375 (944.1) o DDC390 o UDC170 o o UDC171 o o UDC172 o o UDC173 o
[ EQ161 ]
C1 ENERGY= 492.1 kJ/mol ( -225.0730390 Hartree) Energy+ZPE= 491.3 kJ/mol ZPE= 0.0638213 CONNECTIONS: o TS1127 (759.3) o EQ118 o TS1326 (777.5) o EQ150 o TS1376 (495.1) o EQ161 o TS1377 (575.6) o EQ163 o TS1378 (700.6) o EQ224 o TS1379 (698.2) o EQ230 o TS1380 (622.4) o DDC391 o TS1381 (638.9) o DDC392 o TS1382 (673.2) o DDC393 o TS1383 (700.6) o DDC394 o TS1384 (847.4) o DDC395 o TS1385 (856.7) o DDC396 o UDC174 o o UDC175 o o UDC176 o
[ EQ162 ]
C1 ENERGY= 493.1 kJ/mol ( -225.0726292 Hartree) Energy+ZPE= 476.9 kJ/mol ZPE= 0.0579516 CONNECTIONS: o TS1386 (516.7) o EQ162 o TS1387 (562.4) o EQ162 o TS1388 (844.1) o EQ163 o TS1389 (535.9) o EQ180 o UDC177 o
[ EQ163 ]
Cs ENERGY= 493.6 kJ/mol ( -225.0724433 Hartree) Energy+ZPE= 492.7 kJ/mol ZPE= 0.0637810 CONNECTIONS: o TS467 (882.8) o EQ36 o TS1327 (645.2) o EQ150 o TS1377 (575.6) o EQ161 o TS1388 (844.1) o EQ162 o TS1390 (679.8) o EQ224 o TS1391 (662.0) o DDC397 o TS1392 (667.4) o DDC398 o TS1393 (862.5) o DDC399 o TS1394 (867.3) o DDC400 o TS1395 (874.3) o DDC401 o UDC178 o
[ EQ164 ]
Cs ENERGY= 496.2 kJ/mol ( -225.0714500 Hartree) Energy+ZPE= 482.3 kJ/mol ZPE= 0.0588472 CONNECTIONS: o TS87 (522.2) o EQ8 o TS239 (542.9) o EQ20 o TS1396 (522.9) o EQ172
[ EQ165 ]
C1 ENERGY= 497.6 kJ/mol ( -225.0709321 Hartree) Energy+ZPE= 487.1 kJ/mol ZPE= 0.0601277 CONNECTIONS: o TS663 (748.3) o EQ54 o TS676 (768.2) o EQ55 o TS824 (657.0) o EQ75 o TS1239 (620.8) o EQ135 o TS1328 (556.6) o EQ150 o TS1329 (810.1) o EQ150 o TS1397 (500.0) o EQ165 o TS1398 (749.9) o EQ165 o TS1399 (813.5) o EQ169 o TS1400 (837.9) o EQ233 o TS1401 (507.8) o DDC402 o TS1402 (554.4) o DDC403 o TS1403 (735.4) o DDC404
[ EQ166 ]
Cs ENERGY= 499.5 kJ/mol ( -225.0702081 Hartree) Energy+ZPE= 483.8 kJ/mol ZPE= 0.0581611 CONNECTIONS: o TS381 (516.0) o EQ29 o TS516 (523.6) o EQ39 o TS1404 (505.1) o DDC405 o TS1405 (612.8) o DDC406 o TS1406 (619.2) o DDC407 o TS1407 (623.0) o DDC408
[ EQ167 ]
C1 ENERGY= 507.5 kJ/mol ( -225.0671580 Hartree) Energy+ZPE= 491.5 kJ/mol ZPE= 0.0580304 CONNECTIONS: o TS226 (570.8) o EQ19 o TS486 (540.9) o EQ37 o TS1408 (509.3) o EQ167 o TS1409 (507.5) o DDC409 o TS1410 (530.9) o DDC410 o TS1411 (701.1) o DDC411
[ EQ168 ]
C1 ENERGY= 508.4 kJ/mol ( -225.0668060 Hartree) Energy+ZPE= 498.8 kJ/mol ZPE= 0.0604824 CONNECTIONS: o TS657 (524.0) o EQ53 o TS1412 (516.9) o EQ168 o TS1413 (543.9) o EQ168 o TS1414 (690.4) o EQ168 o TS1415 (651.3) o EQ216 o TS1416 (523.6) o DDC412 o TS1417 (543.3) o DDC413
[ EQ169 ]
C1 ENERGY= 510.4 kJ/mol ( -225.0660663 Hartree) Energy+ZPE= 503.1 kJ/mol ZPE= 0.0613331 CONNECTIONS: o TS628 (633.4) o EQ49 o TS677 (666.9) o EQ55 o TS792 (647.6) o EQ70 o TS825 (637.5) o EQ75 o TS1366 (690.9) o EQ160 o TS1367 (693.8) o EQ160 o TS1399 (813.5) o EQ165 o TS1418 (526.9) o EQ169 o TS1419 (699.8) o EQ173 o TS1420 (663.0) o EQ186 o TS1421 (751.6) o EQ262 o TS1422 (847.3) o EQ271 o TS1423 (852.7) o DDC414 o TS1424 (890.4) o DDC415 o TS1425 (909.3) o DDC416 o TS1426 (916.9) o DDC417 o TS1427 (975.2) o DDC418 o UDC179 o o UDC180 o
[ EQ170 ]
Cs ENERGY= 511.0 kJ/mol ( -225.0658199 Hartree) Energy+ZPE= 503.2 kJ/mol ZPE= 0.0611435 CONNECTIONS: o TS175 (727.3) o EQ14 o TS176 (732.0) o EQ14 o TS198 (697.8) o EQ17 o TS950 (609.2) o EQ92 o TS1428 (522.4) o EQ174 o TS1429 (550.1) o EQ174 o TS1430 (673.8) o EQ228 o TS1431 (683.5) o EQ234 o TS1432 (770.3) o DDC419 o TS1433 (915.8) o DDC420 o UDC181 o
[ EQ171 ]
C1 ENERGY= 515.0 kJ/mol ( -225.0643044 Hartree) Energy+ZPE= 506.7 kJ/mol ZPE= 0.0609607 CONNECTIONS: o TS177 (691.4) o EQ14 o TS266 (799.1) o EQ21 o TS354 (707.4) o EQ27 o TS355 (709.6) o EQ27 o TS958 (852.2) o EQ93 o TS1252 (675.3) o EQ136 o TS1434 (523.1) o EQ171 o TS1435 (526.6) o EQ175 o TS1436 (535.3) o EQ175 o TS1437 (553.1) o EQ175 o TS1438 (557.4) o EQ177 o TS1439 (743.4) o EQ188 o TS1440 (687.0) o EQ231 o TS1441 (663.3) o DDC421 o TS1442 (928.2) o DDC422
[ EQ172 ]
Cs ENERGY= 516.4 kJ/mol ( -225.0637816 Hartree) Energy+ZPE= 500.6 kJ/mol ZPE= 0.0581114 CONNECTIONS: o TS111 (546.9) o EQ9 o TS1396 (522.9) o EQ164 o TS1443 (537.3) o DDC423
[ EQ173 ]
Cs ENERGY= 520.6 kJ/mol ( -225.0621684 Hartree) Energy+ZPE= 512.1 kJ/mol ZPE= 0.0609026 CONNECTIONS: o TS1128 (601.7) o EQ118 o TS1419 (699.8) o EQ169 o TS1444 (541.2) o EQ173 o TS1445 (715.6) o EQ186 o TS1446 (673.1) o EQ192 o TS1447 (772.6) o EQ224 o TS1448 (960.3) o EQ287 o TS1449 (765.5) o DDC424 o TS1450 (816.9) o DDC425 o TS1451 (916.5) o DDC426 o UDC182 o o UDC183 o
[ EQ174 ]
C1 ENERGY= 521.3 kJ/mol ( -225.0619134 Hartree) Energy+ZPE= 513.4 kJ/mol ZPE= 0.0611058 CONNECTIONS: o TS199 (717.1) o EQ17 o TS951 (613.1) o EQ92 o TS1428 (522.4) o EQ170 o TS1429 (550.1) o EQ170 o TS1452 (533.5) o EQ174 o TS1453 (603.1) o EQ175 o TS1454 (540.7) o EQ188 o TS1455 (682.4) o EQ228 o TS1456 (937.0) o EQ236 o UDC184 o o UDC185 o
[ EQ175 ]
C1 ENERGY= 522.9 kJ/mol ( -225.0613058 Hartree) Energy+ZPE= 514.0 kJ/mol ZPE= 0.0607348 CONNECTIONS: o TS1275 (692.1) o EQ140 o TS1435 (526.6) o EQ171 o TS1436 (535.3) o EQ171 o TS1437 (553.1) o EQ171 o TS1453 (603.1) o EQ174 o TS1457 (535.6) o EQ175 o TS1458 (531.6) o EQ177 o TS1459 (593.1) o DDC427 o TS1460 (598.7) o DDC428 o TS1461 (795.2) o DDC429
[ EQ176 ]
Cs ENERGY= 526.2 kJ/mol ( -225.0600392 Hartree) Energy+ZPE= 513.8 kJ/mol ZPE= 0.0594090 CONNECTIONS: o TS1066 (573.4) o EQ107 o TS1462 (680.5) o EQ176 o TS1463 (531.4) o DDC430 o TS1464 (535.7) o DDC431
[ EQ177 ]
Cs ENERGY= 529.1 kJ/mol ( -225.0589531 Hartree) Energy+ZPE= 517.9 kJ/mol ZPE= 0.0598795 CONNECTIONS: o TS200 (726.2) o EQ17 o TS1438 (557.4) o EQ171 o TS1458 (531.6) o EQ175 o TS1465 (696.4) o EQ231 o TS1466 (649.9) o DDC432 o TS1467 (789.4) o DDC433
[ EQ178 ]
C1 ENERGY= 529.4 kJ/mol ( -225.0588102 Hartree) Energy+ZPE= 522.4 kJ/mol ZPE= 0.0614571 CONNECTIONS: o TS431 (813.0) o EQ34 o TS487 (687.7) o EQ37 o TS1188 (768.7) o EQ127 o TS1225 (660.1) o EQ133 o TS1468 (555.1) o EQ179 o TS1469 (560.2) o EQ179 o TS1470 (560.3) o EQ182 o TS1471 (562.7) o EQ182 o TS1472 (606.5) o EQ182 o TS1473 (655.0) o EQ185 o TS1474 (790.1) o EQ185 o TS1475 (762.1) o EQ187 o TS1476 (772.6) o EQ187 o TS1477 (760.7) o EQ219 o TS1478 (746.1) o EQ242 o TS1479 (861.8) o EQ246 o TS1480 (750.8) o EQ249 o TS1481 (767.8) o EQ250 o TS1482 (765.2) o DDC434
[ EQ179 ]
C1 ENERGY= 530.6 kJ/mol ( -225.0583666 Hartree) Energy+ZPE= 521.2 kJ/mol ZPE= 0.0605473 CONNECTIONS: o TS724 (758.4) o EQ61 o TS725 (826.4) o EQ61 o TS866 (735.3) o EQ82 o TS867 (804.3) o EQ82 o TS964 (722.2) o EQ94 o TS1341 (541.2) o EQ152 o TS1468 (555.1) o EQ178 o TS1469 (560.2) o EQ178 o TS1483 (607.5) o EQ179 o TS1484 (538.7) o EQ182 o TS1485 (587.8) o EQ182 o TS1486 (860.8) o EQ187 o TS1487 (660.1) o EQ190 o TS1488 (653.8) o EQ201 o TS1489 (804.0) o EQ201 o TS1490 (820.1) o EQ201 o TS1491 (670.3) o DDC435
[ EQ180 ]
C1 ENERGY= 532.1 kJ/mol ( -225.0577847 Hartree) Energy+ZPE= 516.1 kJ/mol ZPE= 0.0580281 CONNECTIONS: o TS394 (570.1) o EQ30 o TS1389 (535.9) o EQ162 o TS1492 (582.4) o EQ180 o TS1493 (533.7) o EQ181 o UDC186 o
[ EQ181 ]
C1 ENERGY= 532.2 kJ/mol ( -225.0577710 Hartree) Energy+ZPE= 516.2 kJ/mol ZPE= 0.0580271 CONNECTIONS: o TS1493 (533.7) o EQ180 o TS1494 (714.9) o EQ186 o TS1495 (937.3) o EQ288 o TS1496 (534.9) o DDC436
[ EQ182 ]
C1 ENERGY= 535.2 kJ/mol ( -225.0566219 Hartree) Energy+ZPE= 528.1 kJ/mol ZPE= 0.0614167 CONNECTIONS: o TS1019 (758.1) o EQ102 o TS1226 (666.6) o EQ133 o TS1470 (560.3) o EQ178 o TS1471 (562.7) o EQ178 o TS1472 (606.5) o EQ178 o TS1484 (538.7) o EQ179 o TS1485 (587.8) o EQ179 o TS1497 (679.0) o EQ194 o TS1498 (756.6) o EQ236 o TS1499 (745.9) o EQ242 o TS1500 (774.5) o EQ249 o TS1501 (766.6) o EQ250 o TS1502 (772.7) o DDC437 o UDC187 o o UDC188 o
[ EQ183 ]
Cs ENERGY= 535.3 kJ/mol ( -225.0565692 Hartree) Energy+ZPE= 518.2 kJ/mol ZPE= 0.0576110 CONNECTIONS: o TS88 (551.7) o EQ8 o TS89 (563.9) o EQ8
[ EQ184 ]
C1 ENERGY= 535.6 kJ/mol ( -225.0564476 Hartree) Energy+ZPE= 527.1 kJ/mol ZPE= 0.0608820 CONNECTIONS: o TS432 (693.9) o EQ34 o TS433 (727.5) o EQ34 o TS434 (752.1) o EQ34 o TS616 (725.9) o EQ48 o TS965 (624.7) o EQ94 o TS1020 (591.4) o EQ102 o TS1167 (650.3) o EQ125 o TS1330 (628.5) o EQ150 o TS1503 (563.3) o EQ204 o TS1504 (569.7) o EQ204 o TS1505 (785.4) o EQ236 o TS1506 (810.2) o EQ245 o TS1507 (596.9) o DDC438 o TS1508 (760.7) o DDC439
[ EQ185 ]
C1 ENERGY= 536.5 kJ/mol ( -225.0561169 Hartree) Energy+ZPE= 528.0 kJ/mol ZPE= 0.0609083 CONNECTIONS: o TS1473 (655.0) o EQ178 o TS1474 (790.1) o EQ178 o TS1509 (540.6) o EQ187 o TS1510 (553.1) o EQ190 o TS1511 (605.8) o EQ194 o TS1512 (575.2) o EQ206 o TS1513 (717.9) o EQ236 o TS1514 (723.5) o EQ245 o TS1515 (765.8) o EQ249 o TS1516 (655.0) o DDC440 o TS1517 (754.1) o DDC441 o TS1518 (761.2) o DDC442 o TS1519 (773.5) o DDC443 o TS2157 (646.7) o xx
[ EQ186 ]
Cs ENERGY= 537.4 kJ/mol ( -225.0557615 Hartree) Energy+ZPE= 527.1 kJ/mol ZPE= 0.0601968 CONNECTIONS: o TS1106 (761.2) o EQ113 o TS1420 (663.0) o EQ169 o TS1445 (715.6) o EQ173 o TS1494 (714.9) o EQ181 o TS1520 (538.9) o EQ186 o TS1521 (699.8) o EQ193 o TS1522 (1003.8) o EQ288 o TS1523 (748.5) o DDC444 o TS1524 (987.4) o DDC445 o UDC189 o
[ EQ187 ]
C1 ENERGY= 538.0 kJ/mol ( -225.0555313 Hartree) Energy+ZPE= 530.1 kJ/mol ZPE= 0.0611337 CONNECTIONS: o TS993 (716.0) o EQ96 o TS1168 (732.7) o EQ125 o TS1227 (831.1) o EQ133 o TS1475 (762.1) o EQ178 o TS1476 (772.6) o EQ178 o TS1486 (860.8) o EQ179 o TS1509 (540.6) o EQ185 o TS1525 (546.0) o EQ190 o TS1526 (569.1) o EQ194 o TS1527 (573.4) o EQ194 o TS1528 (738.6) o EQ245 o TS1529 (764.3) o EQ247 o TS1530 (759.5) o DDC446
[ EQ188 ]
C1 ENERGY= 539.6 kJ/mol ( -225.0549260 Hartree) Energy+ZPE= 530.3 kJ/mol ZPE= 0.0606063 CONNECTIONS: o TS156 (734.9) o EQ13 o TS1439 (743.4) o EQ171 o TS1454 (540.7) o EQ174 o TS1531 (547.5) o EQ188 o TS1532 (687.0) o EQ234 o TS1533 (633.6) o DDC447 o TS1534 (931.9) o DDC448 o UDC190 o
[ EQ189 ]
C1 ENERGY= 540.1 kJ/mol ( -225.0547402 Hartree) Energy+ZPE= 525.2 kJ/mol ZPE= 0.0584459 CONNECTIONS: o TS1535 (621.3) o EQ189 o TS1536 (704.8) o EQ232 o TS1537 (703.4) o EQ238 o TS1538 (844.1) o EQ260 o TS1539 (1040.9) o EQ294 o TS1540 (1031.5) o EQ298 o TS1541 (544.3) o DDC449 o TS1542 (548.3) o DDC450 o TS1543 (551.5) o DDC451 o TS1544 (602.3) o DDC452 o TS1545 (729.3) o DDC453
[ EQ190 ]
C1 ENERGY= 541.9 kJ/mol ( -225.0540571 Hartree) Energy+ZPE= 533.5 kJ/mol ZPE= 0.0609275 CONNECTIONS: o TS583 (692.6) o EQ44 o TS584 (692.7) o EQ44 o TS726 (748.1) o EQ61 o TS868 (722.0) o EQ82 o TS905 (708.9) o EQ86 o TS1487 (660.1) o EQ179 o TS1510 (553.1) o EQ185 o TS1525 (546.0) o EQ187 o TS1546 (573.9) o EQ201 o TS1547 (579.4) o EQ201 o TS1548 (614.6) o EQ201 o TS1549 (948.6) o EQ274 o TS1550 (964.9) o EQ278 o TS1551 (990.0) o EQ278 o TS1552 (985.7) o EQ283 o TS1553 (653.4) o DDC454 o TS1554 (672.3) o DDC455 o TS1555 (751.7) o DDC456
[ EQ191 ]
C1 ENERGY= 546.6 kJ/mol ( -225.0522748 Hartree) Energy+ZPE= 540.3 kJ/mol ZPE= 0.0617427 CONNECTIONS: o TS735 (650.1) o EQ62 o TS1056 (549.8) o EQ106 o TS1350 (547.0) o EQ155 o TS1556 (594.6) o EQ191 o TS1557 (681.5) o DDC457
[ EQ192 ]
Cs ENERGY= 546.7 kJ/mol ( -225.0522378 Hartree) Energy+ZPE= 537.3 kJ/mol ZPE= 0.0605685 CONNECTIONS: o TS1198 (645.1) o EQ128 o TS1368 (695.3) o EQ160 o TS1446 (673.1) o EQ173 o TS1558 (569.0) o EQ192 o TS1559 (722.6) o EQ193 o TS1560 (764.0) o DDC458 o TS1561 (774.0) o DDC459 o TS1562 (842.2) o DDC460 o TS1563 (848.4) o DDC461
[ EQ193 ]
Cs ENERGY= 548.5 kJ/mol ( -225.0515383 Hartree) Energy+ZPE= 538.4 kJ/mol ZPE= 0.0602718 CONNECTIONS: o TS1369 (655.9) o EQ160 o TS1521 (699.8) o EQ186 o TS1559 (722.6) o EQ192 o TS1564 (550.7) o EQ193 o TS1565 (996.1) o EQ290 o TS1566 (771.2) o DDC462 o TS1567 (855.2) o DDC463 o TS1568 (999.0) o DDC464 o UDC191 o o UDC192 o
[ EQ194 ]
C1 ENERGY= 549.0 kJ/mol ( -225.0513426 Hartree) Energy+ZPE= 540.9 kJ/mol ZPE= 0.0610317 CONNECTIONS: o TS1021 (738.4) o EQ102 o TS1228 (847.6) o EQ133 o TS1497 (679.0) o EQ182 o TS1511 (605.8) o EQ185 o TS1526 (569.1) o EQ187 o TS1527 (573.4) o EQ187 o TS1569 (562.5) o EQ201 o TS1570 (567.6) o EQ206 o TS1571 (671.1) o EQ226 o TS1572 (751.1) o EQ236 o TS1573 (683.0) o DDC465 o TS1574 (700.8) o DDC466 o TS1575 (738.2) o DDC467 o TS1576 (757.5) o DDC468 o TS1577 (776.1) o DDC469 o TS1578 (783.4) o DDC470 o TS1579 (848.1) o DDC471
[ EQ195 ]
Cs ENERGY= 549.2 kJ/mol ( -225.0512857 Hartree) Energy+ZPE= 531.8 kJ/mol ZPE= 0.0574946 CONNECTIONS: o TS1580 (559.2) o EQ196 o TS1581 (549.8) o DDC472 o TS1582 (699.9) o DDC473 o UDC193 o
[ EQ196 ]
Cs ENERGY= 551.9 kJ/mol ( -225.0502644 Hartree) Energy+ZPE= 534.5 kJ/mol ZPE= 0.0575142 CONNECTIONS: o TS1580 (559.2) o EQ195 o TS1583 (561.5) o DDC474 o UDC194 o o UDC195 o
[ EQ197 ]
Cs ENERGY= 554.7 kJ/mol ( -225.0491699 Hartree) Energy+ZPE= 541.8 kJ/mol ZPE= 0.0592180 CONNECTIONS: o TS1285 (620.7) o EQ142 o TS1584 (569.4) o EQ198 o TS1585 (599.4) o EQ198 o TS1586 (798.3) o EQ198 o TS1587 (802.1) o EQ198 o TS1588 (582.4) o EQ200 o TS1589 (964.9) o EQ243 o TS1590 (816.3) o EQ282 o TS1591 (559.7) o DDC475 o TS1592 (804.3) o DDC476
[ EQ198 ]
Cs ENERGY= 557.1 kJ/mol ( -225.0482720 Hartree) Energy+ZPE= 544.3 kJ/mol ZPE= 0.0592522 CONNECTIONS: o TS1265 (998.5) o EQ139 o TS1584 (569.4) o EQ197 o TS1585 (599.4) o EQ197 o TS1586 (798.3) o EQ197 o TS1587 (802.1) o EQ197 o TS1593 (620.4) o EQ205 o TS1594 (581.5) o EQ210 o TS1595 (848.6) o EQ284 o TS1596 (992.8) o EQ297 o TS1597 (1024.6) o EQ298 o TS1598 (678.5) o DDC477
[ EQ199 ]
Cs ENERGY= 558.0 kJ/mol ( -225.0479170 Hartree) Energy+ZPE= 539.1 kJ/mol ZPE= 0.0569472 CONNECTIONS: o TS122 (606.6) o EQ10 o TS1599 (615.4) o EQ199 o TS1600 (605.5) o EQ221 o TS1601 (562.2) o DDC478
[ EQ200 ]
Cs ENERGY= 558.1 kJ/mol ( -225.0478775 Hartree) Energy+ZPE= 546.4 kJ/mol ZPE= 0.0596686 CONNECTIONS: o TS1148 (742.8) o EQ122 o TS1588 (582.4) o EQ197 o TS1602 (589.7) o EQ210 o TS1603 (605.2) o EQ210 o TS1604 (608.1) o EQ210 o TS1605 (788.9) o EQ277 o TS1606 (829.0) o EQ281 o TS1607 (574.2) o DDC479 o TS1608 (638.5) o DDC480 o TS1609 (690.3) o DDC481
[ EQ201 ]
C1 ENERGY= 558.9 kJ/mol ( -225.0475952 Hartree) Energy+ZPE= 549.6 kJ/mol ZPE= 0.0605859 CONNECTIONS: o TS647 (713.0) o EQ52 o TS727 (759.8) o EQ61 o TS966 (723.0) o EQ94 o TS1306 (802.6) o EQ146 o TS1488 (653.8) o EQ179 o TS1489 (804.0) o EQ179 o TS1490 (820.1) o EQ179 o TS1546 (573.9) o EQ190 o TS1547 (579.4) o EQ190 o TS1548 (614.6) o EQ190 o TS1569 (562.5) o EQ194 o TS1610 (570.4) o EQ206 o TS1611 (747.8) o EQ269 o TS1612 (701.9) o DDC482
[ EQ202 ]
C1 ENERGY= 560.8 kJ/mol ( -225.0468618 Hartree) Energy+ZPE= 548.6 kJ/mol ZPE= 0.0594913 CONNECTIONS: o TS435 (573.1) o EQ34 o TS517 (586.3) o EQ39 o TS551 (658.1) o EQ41 o TS1613 (582.8) o EQ208 o TS1614 (588.0) o EQ208 o TS1615 (591.9) o EQ208 o TS1616 (589.1) o EQ214 o TS1617 (612.9) o EQ225 o TS1618 (634.1) o DDC483 o TS1619 (660.7) o DDC484 o UDC196 o
[ EQ203 ]
C1 ENERGY= 561.9 kJ/mol ( -225.0464587 Hartree) Energy+ZPE= 542.6 kJ/mol ZPE= 0.0567846 CONNECTIONS: o TS1620 (580.4) o DDC485 o UDC197 o
[ EQ204 ]
C1 ENERGY= 562.3 kJ/mol ( -225.0462905 Hartree) Energy+ZPE= 551.3 kJ/mol ZPE= 0.0599254 CONNECTIONS: o TS436 (711.2) o EQ34 o TS488 (710.9) o EQ37 o TS489 (749.7) o EQ37 o TS906 (637.5) o EQ86 o TS1503 (563.3) o EQ184 o TS1504 (569.7) o EQ184 o TS1621 (836.5) o EQ245 o TS1622 (607.0) o DDC486 o UDC198 o
[ EQ205 ]
Cs ENERGY= 562.9 kJ/mol ( -225.0460669 Hartree) Energy+ZPE= 551.9 kJ/mol ZPE= 0.0599573 CONNECTIONS: o TS505 (756.2) o EQ38 o TS506 (826.8) o EQ38 o TS1286 (579.5) o EQ142 o TS1593 (620.4) o EQ198 o TS1623 (819.0) o EQ210 o TS1624 (595.5) o EQ213 o TS1625 (604.8) o EQ220 o TS1626 (779.8) o EQ275 o TS1627 (784.5) o EQ276 o TS1628 (821.5) o EQ279 o TS1629 (845.4) o EQ284 o TS1630 (579.8) o DDC487 o TS1631 (603.7) o DDC488 o TS1632 (668.1) o DDC489 o UDC199 o
[ EQ206 ]
C1 ENERGY= 567.3 kJ/mol ( -225.0443684 Hartree) Energy+ZPE= 557.0 kJ/mol ZPE= 0.0602165 CONNECTIONS: o TS1512 (575.2) o EQ185 o TS1570 (567.6) o EQ194 o TS1610 (570.4) o EQ201 o TS1633 (727.5) o EQ245 o TS1634 (744.6) o EQ247 o TS1635 (786.3) o EQ250
[ EQ207 ]
C1 ENERGY= 570.6 kJ/mol ( -225.0431465 Hartree) Energy+ZPE= 550.9 kJ/mol ZPE= 0.0566460 CONNECTIONS: o TS1636 (585.1) o DDC490 o UDC200 o
[ EQ208 ]
C1 ENERGY= 573.7 kJ/mol ( -225.0419382 Hartree) Energy+ZPE= 561.5 kJ/mol ZPE= 0.0594881 CONNECTIONS: o TS327 (605.6) o EQ26 o TS617 (581.3) o EQ48 o TS1613 (582.8) o EQ202 o TS1614 (588.0) o EQ202 o TS1615 (591.9) o EQ202 o TS1637 (655.3) o DDC491 o UDC201 o
[ EQ209 ]
C1 ENERGY= 576.9 kJ/mol ( -225.0407120 Hartree) Energy+ZPE= 561.9 kJ/mol ZPE= 0.0584034 CONNECTIONS: o TS310 (611.8) o EQ25 o TS1638 (623.2) o EQ215 o TS1639 (607.4) o EQ222 o TS1640 (578.3) o DDC492 o TS1641 (580.3) o DDC493 o TS1642 (593.7) o DDC494 o TS1643 (606.5) o DDC495
[ EQ210 ]
Cs ENERGY= 577.3 kJ/mol ( -225.0405852 Hartree) Energy+ZPE= 563.4 kJ/mol ZPE= 0.0588196 CONNECTIONS: o TS1107 (738.5) o EQ113 o TS1594 (581.5) o EQ198 o TS1602 (589.7) o EQ200 o TS1603 (605.2) o EQ200 o TS1604 (608.1) o EQ200 o TS1623 (819.0) o EQ205 o TS1644 (641.4) o EQ220 o TS1645 (796.6) o EQ279 o TS1646 (826.3) o EQ282
[ EQ211 ]
C1 ENERGY= 579.4 kJ/mol ( -225.0397915 Hartree) Energy+ZPE= 565.5 kJ/mol ZPE= 0.0588381 CONNECTIONS: o TS382 (592.9) o EQ29 o TS468 (586.0) o EQ36 o TS1647 (590.7) o EQ212 o TS1648 (598.6) o EQ215 o TS1649 (606.2) o EQ215 o TS1650 (610.2) o EQ215 o TS1651 (610.8) o EQ222 o TS1652 (597.6) o DDC496 o TS1653 (632.0) o DDC497 o TS1654 (762.0) o DDC498 o TS1655 (764.3) o DDC499
[ EQ212 ]
C1 ENERGY= 581.2 kJ/mol ( -225.0390845 Hartree) Energy+ZPE= 568.1 kJ/mol ZPE= 0.0591315 CONNECTIONS: o TS383 (594.0) o EQ29 o TS585 (585.6) o EQ44 o TS609 (609.2) o EQ47 o TS1647 (590.7) o EQ211 o TS1656 (612.1) o EQ222 o TS1657 (591.1) o DDC500 o TS1658 (620.7) o DDC501 o UDC202 o
[ EQ213 ]
Cs ENERGY= 581.3 kJ/mol ( -225.0390519 Hartree) Energy+ZPE= 570.3 kJ/mol ZPE= 0.0599577 CONNECTIONS: o TS690 (680.5) o EQ57 o TS1149 (786.5) o EQ122 o TS1624 (595.5) o EQ205 o TS1659 (618.6) o EQ220 o TS1660 (817.1) o EQ277 o TS1661 (803.5) o EQ280 o TS1662 (822.2) o EQ281 o TS1663 (597.4) o DDC502
[ EQ214 ]
C1 ENERGY= 582.2 kJ/mol ( -225.0386918 Hartree) Energy+ZPE= 570.4 kJ/mol ZPE= 0.0596549 CONNECTIONS: o TS328 (617.7) o EQ26 o TS490 (588.5) o EQ37 o TS518 (598.6) o EQ39 o TS641 (672.4) o EQ51 o TS1616 (589.1) o EQ202 o TS1664 (616.2) o EQ214 o TS1665 (623.3) o EQ225 o TS1666 (975.7) o EQ283 o TS1667 (860.1) o EQ286 o TS1668 (632.5) o DDC503 o TS1669 (655.6) o DDC504 o TS1670 (708.1) o DDC505
[ EQ215 ]
C1 ENERGY= 595.3 kJ/mol ( -225.0337270 Hartree) Energy+ZPE= 580.7 kJ/mol ZPE= 0.0585542 CONNECTIONS: o TS610 (613.7) o EQ47 o TS648 (605.7) o EQ52 o TS1638 (623.2) o EQ209 o TS1648 (598.6) o EQ211 o TS1649 (606.2) o EQ211 o TS1650 (610.2) o EQ211 o TS1671 (652.7) o DDC506 o TS1672 (765.1) o DDC507 o TS1673 (765.2) o DDC508 o UDC203 o
[ EQ216 ]
C1 ENERGY= 596.7 kJ/mol ( -225.0332011 Hartree) Energy+ZPE= 592.3 kJ/mol ZPE= 0.0624426 CONNECTIONS: o TS1240 (696.7) o EQ135 o TS1300 (633.1) o EQ144 o TS1415 (651.3) o EQ168 o TS1674 (609.7) o EQ216 o TS1675 (793.1) o EQ246 o TS1676 (791.8) o EQ252 o TS1677 (908.5) o EQ283 o TS1678 (770.7) o DDC509 o TS1679 (945.0) o DDC510 o UDC204 o o UDC205 o o UDC206 o
[ EQ217 ]
Cs ENERGY= 598.3 kJ/mol ( -225.0325757 Hartree) Energy+ZPE= 582.8 kJ/mol ZPE= 0.0582326 CONNECTIONS: o TS1093 (664.1) o EQ112 o TS1241 (635.0) o EQ135 o TS1680 (599.2) o DDC511
[ EQ218 ]
C1 ENERGY= 599.6 kJ/mol ( -225.0320715 Hartree) Energy+ZPE= 585.9 kJ/mol ZPE= 0.0589122 CONNECTIONS: o TS1307 (648.8) o EQ146 o TS1681 (611.4) o EQ218 o TS1682 (599.7) o DDC512
[ EQ219 ]
Cs ENERGY= 602.0 kJ/mol ( -225.0311741 Hartree) Energy+ZPE= 589.4 kJ/mol ZPE= 0.0593171 CONNECTIONS: o TS1212 (833.4) o EQ131 o TS1477 (760.7) o EQ178 o TS1683 (772.3) o EQ273 o TS1684 (607.7) o DDC513 o TS1685 (625.3) o DDC514 o TS1686 (640.4) o DDC515
[ EQ220 ]
C1 ENERGY= 604.8 kJ/mol ( -225.0300885 Hartree) Energy+ZPE= 590.8 kJ/mol ZPE= 0.0587991 CONNECTIONS: o TS519 (679.3) o EQ39 o TS1625 (604.8) o EQ205 o TS1644 (641.4) o EQ210 o TS1659 (618.6) o EQ213
[ EQ221 ]
Cs ENERGY= 605.4 kJ/mol ( -225.0298592 Hartree) Energy+ZPE= 585.5 kJ/mol ZPE= 0.0565391 CONNECTIONS: o TS1600 (605.5) o EQ199 o UDC207 o
[ EQ222 ]
C1 ENERGY= 605.9 kJ/mol ( -225.0296977 Hartree) Energy+ZPE= 590.8 kJ/mol ZPE= 0.0583930 CONNECTIONS: o TS602 (614.0) o EQ46 o TS1639 (607.4) o EQ209 o TS1651 (610.8) o EQ211 o TS1656 (612.1) o EQ212 o TS1687 (649.0) o DDC516 o UDC208 o
[ EQ223 ]
C1 ENERGY= 607.2 kJ/mol ( -225.0292028 Hartree) Energy+ZPE= 601.3 kJ/mol ZPE= 0.0618947 CONNECTIONS: o TS240 (620.2) o EQ20 o TS329 (695.3) o EQ26 o TS1213 (625.6) o EQ131 o TS1242 (730.1) o EQ135 o TS1688 (608.0) o EQ223 o TS1689 (906.3) o EQ272 o TS1690 (906.7) o EQ274 o TS1691 (799.7) o DDC517 o TS1692 (893.6) o DDC518 o UDC209 o
[ EQ224 ]
Cs ENERGY= 612.7 kJ/mol ( -225.0270867 Hartree) Energy+ZPE= 601.8 kJ/mol ZPE= 0.0599645 CONNECTIONS: o TS1378 (700.6) o EQ161 o TS1390 (679.8) o EQ163 o TS1447 (772.6) o EQ173 o TS1693 (722.5) o EQ230 o TS1694 (626.6) o DDC519 o UDC210 o
[ EQ225 ]
C1 ENERGY= 612.9 kJ/mol ( -225.0270146 Hartree) Energy+ZPE= 597.8 kJ/mol ZPE= 0.0583923 CONNECTIONS: o TS437 (628.3) o EQ34 o TS1617 (612.9) o EQ202 o TS1665 (623.3) o EQ214
[ EQ226 ]
C1 ENERGY= 616.4 kJ/mol ( -225.0256874 Hartree) Energy+ZPE= 591.5 kJ/mol ZPE= 0.0546506 CONNECTIONS: o TS603 (616.8) o EQ46 o TS1571 (671.1) o EQ194 o TS1695 (618.4) o DDC520
[ EQ227 ]
Cs ENERGY= 618.8 kJ/mol ( -225.0247732 Hartree) Energy+ZPE= 596.3 kJ/mol ZPE= 0.0555614 CONNECTIONS: o TS1696 (619.5) o DDC521 o TS1697 (625.7) o DDC522 o UDC211 o
[ EQ228 ]
C1 ENERGY= 619.5 kJ/mol ( -225.0245185 Hartree) Energy+ZPE= 610.8 kJ/mol ZPE= 0.0608250 CONNECTIONS: o TS227 (633.9) o EQ19 o TS356 (635.6) o EQ27 o TS1169 (709.2) o EQ125 o TS1430 (673.8) o EQ170 o TS1455 (682.4) o EQ174 o TS1698 (903.7) o EQ228 o TS1699 (652.7) o EQ234 o TS1700 (695.1) o EQ234 o TS1701 (935.1) o EQ283 o TS1702 (898.4) o EQ285 o TS1703 (691.3) o DDC523 o UDC212 o o UDC213 o
[ EQ229 ]
Cs ENERGY= 628.3 kJ/mol ( -225.0211538 Hartree) Energy+ZPE= 613.8 kJ/mol ZPE= 0.0586176 CONNECTIONS: o TS813 (632.1) o EQ73 o TS869 (675.5) o EQ82 o TS1704 (667.6) o DDC524
[ EQ230 ]
C1 ENERGY= 633.4 kJ/mol ( -225.0192038 Hartree) Energy+ZPE= 619.1 kJ/mol ZPE= 0.0586699 CONNECTIONS: o TS1108 (640.6) o EQ113 o TS1379 (698.2) o EQ161 o TS1693 (722.5) o EQ224 o TS1705 (648.5) o EQ230 o TS1706 (638.6) o DDC525 o TS1707 (702.3) o DDC526 o TS1708 (748.7) o DDC527
[ EQ231 ]
C1 ENERGY= 635.8 kJ/mol ( -225.0183126 Hartree) Energy+ZPE= 622.8 kJ/mol ZPE= 0.0591773 CONNECTIONS: o TS267 (635.8) o EQ21 o TS357 (652.9) o EQ27 o TS1177 (930.7) o EQ126 o TS1189 (738.7) o EQ127 o TS1440 (687.0) o EQ171 o TS1465 (696.4) o EQ177 o TS1709 (958.9) o EQ234 o TS1710 (897.1) o EQ285 o TS1711 (869.5) o DDC528
[ EQ232 ]
C1 ENERGY= 636.9 kJ/mol ( -225.0178901 Hartree) Energy+ZPE= 631.4 kJ/mol ZPE= 0.0620339 CONNECTIONS: o TS90 (734.3) o EQ8 o TS123 (675.1) o EQ10 o TS706 (796.6) o EQ59 o TS952 (822.1) o EQ92 o TS1536 (704.8) o EQ189 o TS1712 (679.8) o EQ232 o TS1713 (692.0) o EQ232 o TS1714 (708.7) o DDC529 o TS1715 (726.6) o DDC530 o TS1716 (742.8) o DDC531 o TS1717 (863.5) o DDC532 o UDC214 o
[ EQ233 ]
C1 ENERGY= 639.3 kJ/mol ( -225.0169627 Hartree) Energy+ZPE= 631.5 kJ/mol ZPE= 0.0611447 CONNECTIONS: o TS370 (709.9) o EQ28 o TS395 (685.9) o EQ30 o TS793 (827.4) o EQ70 o TS826 (815.9) o EQ75 o TS1370 (753.0) o EQ160 o TS1371 (848.6) o EQ160 o TS1400 (837.9) o EQ165 o TS1718 (652.1) o EQ233 o TS1719 (822.9) o EQ251 o TS1720 (853.4) o EQ261 o TS1721 (783.2) o DDC533 o TS1722 (913.2) o DDC534 o TS1723 (1054.5) o DDC535 o TS1724 (1073.8) o DDC536 o TS1725 (1113.0) o DDC537 o UDC215 o o UDC216 o o UDC217 o
[ EQ234 ]
C1 ENERGY= 639.4 kJ/mol ( -225.0169315 Hartree) Energy+ZPE= 630.1 kJ/mol ZPE= 0.0605893 CONNECTIONS: o TS228 (660.0) o EQ19 o TS268 (664.5) o EQ21 o TS1170 (710.8) o EQ125 o TS1178 (902.4) o EQ126 o TS1431 (683.5) o EQ170 o TS1532 (687.0) o EQ188 o TS1699 (652.7) o EQ228 o TS1700 (695.1) o EQ228 o TS1709 (958.9) o EQ231 o TS1726 (895.0) o EQ283 o TS1727 (690.8) o DDC538 o UDC218 o
[ EQ235 ]
C1 ENERGY= 644.6 kJ/mol ( -225.0149581 Hartree) Energy+ZPE= 631.8 kJ/mol ZPE= 0.0592444 CONNECTIONS: o TS814 (681.5) o EQ73 o TS870 (645.5) o EQ82 o TS894 (655.6) o EQ85 o TS912 (657.8) o EQ87 o TS1291 (758.4) o EQ143 o TS1728 (648.0) o EQ235 o TS1729 (665.1) o EQ239
[ EQ236 ]
C1 ENERGY= 648.3 kJ/mol ( -225.0135417 Hartree) Energy+ZPE= 642.3 kJ/mol ZPE= 0.0618509 CONNECTIONS: o TS438 (756.3) o EQ34 o TS586 (686.4) o EQ44 o TS883 (797.7) o EQ84 o TS1331 (695.2) o EQ150 o TS1456 (937.0) o EQ174 o TS1498 (756.6) o EQ182 o TS1505 (785.4) o EQ184 o TS1513 (717.9) o EQ185 o TS1572 (751.1) o EQ194 o TS1730 (764.5) o EQ242 o TS1731 (697.6) o EQ247 o TS1732 (702.2) o EQ247 o TS1733 (729.7) o EQ249 o UDC219 o o UDC220 o
[ EQ237 ]
C1 ENERGY= 652.4 kJ/mol ( -225.0119863 Hartree) Energy+ZPE= 627.7 kJ/mol ZPE= 0.0547364 CONNECTIONS: o TS1734 (656.0) o DDC539 o TS1735 (656.8) o DDC540 o TS1736 (663.4) o DDC541 o TS1737 (906.1) o DDC542
[ EQ238 ]
C1 ENERGY= 653.1 kJ/mol ( -225.0116982 Hartree) Energy+ZPE= 646.9 kJ/mol ZPE= 0.0617737 CONNECTIONS: o TS112 (721.1) o EQ9 o TS124 (715.3) o EQ10 o TS125 (735.6) o EQ10 o TS707 (776.0) o EQ59 o TS953 (824.0) o EQ92 o TS954 (837.9) o EQ92 o TS1067 (749.3) o EQ107 o TS1537 (703.4) o EQ189 o TS1738 (680.3) o EQ244 o TS1739 (682.8) o EQ244 o TS1740 (689.9) o EQ244 o TS1741 (724.3) o DDC543 o TS1742 (734.1) o DDC544 o TS1743 (1063.3) o DDC545
[ EQ239 ]
Cs ENERGY= 657.5 kJ/mol ( -225.0100322 Hartree) Energy+ZPE= 643.6 kJ/mol ZPE= 0.0588237 CONNECTIONS: o TS728 (662.8) o EQ61 o TS913 (674.0) o EQ87 o TS914 (700.1) o EQ87 o TS1729 (665.1) o EQ235 o UDC221 o
[ EQ240 ]
C1 ENERGY= 658.0 kJ/mol ( -225.0098494 Hartree) Energy+ZPE= 635.3 kJ/mol ZPE= 0.0554888 CONNECTIONS: o TS1744 (658.6) o DDC546 o TS1745 (665.7) o DDC547 o TS1746 (714.1) o DDC548
[ EQ241 ]
Cs ENERGY= 671.7 kJ/mol ( -225.0046317 Hartree) Energy+ZPE= 657.1 kJ/mol ZPE= 0.0585603 CONNECTIONS: o TS1316 (808.2) o EQ147 o TS1747 (825.7) o EQ258 o TS1748 (672.1) o DDC549 o TS1749 (895.9) o DDC550
[ EQ242 ]
C1 ENERGY= 672.4 kJ/mol ( -225.0043660 Hartree) Energy+ZPE= 664.0 kJ/mol ZPE= 0.0609221 CONNECTIONS: o TS491 (707.5) o EQ37 o TS604 (757.8) o EQ46 o TS938 (823.3) o EQ91 o TS1478 (746.1) o EQ178 o TS1499 (745.9) o EQ182 o TS1730 (764.5) o EQ236 o TS1750 (731.5) o EQ242 o TS1751 (757.9) o EQ245 o TS1752 (731.8) o DDC551 o TS1753 (786.7) o DDC552 o TS1754 (854.3) o DDC553 o TS1755 (878.7) o DDC554 o UDC222 o
[ EQ243 ]
C1 ENERGY= 673.6 kJ/mol ( -225.0038792 Hartree) Energy+ZPE= 663.1 kJ/mol ZPE= 0.0601273 CONNECTIONS: o TS330 (716.8) o EQ26 o TS1068 (777.3) o EQ107 o TS1109 (713.8) o EQ113 o TS1150 (688.6) o EQ122 o TS1151 (716.4) o EQ122 o TS1589 (964.9) o EQ197 o TS1756 (688.8) o EQ248 o TS1757 (709.2) o EQ248 o TS1758 (710.3) o EQ248 o TS1759 (736.1) o EQ248 o TS1760 (953.5) o EQ277 o TS1761 (944.6) o EQ279 o TS1762 (726.2) o DDC555 o TS1763 (774.5) o DDC556 o UDC223 o
[ EQ244 ]
C1 ENERGY= 674.5 kJ/mol ( -225.0035488 Hartree) Energy+ZPE= 667.3 kJ/mol ZPE= 0.0613973 CONNECTIONS: o TS113 (736.7) o EQ9 o TS1738 (680.3) o EQ238 o TS1739 (682.8) o EQ238 o TS1740 (689.9) o EQ238 o TS1764 (822.7) o EQ282 o TS1765 (724.9) o DDC557 o TS1766 (746.5) o DDC558 o TS1767 (748.3) o DDC559 o TS1768 (895.3) o DDC560
[ EQ245 ]
C1 ENERGY= 675.8 kJ/mol ( -225.0030540 Hartree) Energy+ZPE= 667.2 kJ/mol ZPE= 0.0608465 CONNECTIONS: o TS605 (741.2) o EQ46 o TS618 (738.0) o EQ48 o TS708 (801.1) o EQ59 o TS939 (800.6) o EQ91 o TS1506 (810.2) o EQ184 o TS1514 (723.5) o EQ185 o TS1528 (738.6) o EQ187 o TS1621 (836.5) o EQ204 o TS1633 (727.5) o EQ206 o TS1751 (757.9) o EQ242 o TS1769 (782.1) o EQ249 o TS1770 (822.1) o EQ250 o TS1771 (766.3) o DDC561 o TS1772 (934.0) o DDC562
[ EQ246 ]
C1 ENERGY= 682.1 kJ/mol ( -225.0006728 Hartree) Energy+ZPE= 674.9 kJ/mol ZPE= 0.0613927 CONNECTIONS: o TS783 (684.0) o EQ69 o TS784 (690.8) o EQ69 o TS1179 (724.9) o EQ126 o TS1479 (861.8) o EQ178 o TS1675 (793.1) o EQ216 o UDC224 o
[ EQ247 ]
C1 ENERGY= 686.2 kJ/mol ( -224.9991076 Hartree) Energy+ZPE= 678.2 kJ/mol ZPE= 0.0610869 CONNECTIONS: o TS439 (772.7) o EQ34 o TS649 (717.6) o EQ52 o TS884 (898.5) o EQ84 o TS1203 (899.9) o EQ129 o TS1529 (764.3) o EQ187 o TS1634 (744.6) o EQ206 o TS1731 (697.6) o EQ236 o TS1732 (702.2) o EQ236 o TS1773 (738.4) o EQ250 o UDC225 o
[ EQ248 ]
C1 ENERGY= 687.9 kJ/mol ( -224.9984679 Hartree) Energy+ZPE= 676.0 kJ/mol ZPE= 0.0596173 CONNECTIONS: o TS331 (725.8) o EQ26 o TS1110 (695.7) o EQ113 o TS1111 (713.3) o EQ113 o TS1756 (688.8) o EQ243 o TS1757 (709.2) o EQ243 o TS1758 (710.3) o EQ243 o TS1759 (736.1) o EQ243 o TS1774 (791.6) o DDC563 o UDC226 o
[ EQ249 ]
C1 ENERGY= 694.0 kJ/mol ( -224.9961122 Hartree) Energy+ZPE= 683.3 kJ/mol ZPE= 0.0600650 CONNECTIONS: o TS440 (732.4) o EQ34 o TS587 (734.2) o EQ44 o TS885 (800.9) o EQ84 o TS1276 (908.5) o EQ140 o TS1480 (750.8) o EQ178 o TS1500 (774.5) o EQ182 o TS1515 (765.8) o EQ185 o TS1733 (729.7) o EQ236 o TS1769 (782.1) o EQ245 o TS1775 (715.1) o EQ250 o TS1776 (719.1) o EQ250 o TS1777 (721.6) o DDC564 o TS1778 (739.4) o DDC565 o TS1779 (879.6) o DDC566
[ EQ250 ]
C1 ENERGY= 703.8 kJ/mol ( -224.9923919 Hartree) Energy+ZPE= 693.3 kJ/mol ZPE= 0.0601420 CONNECTIONS: o TS441 (741.8) o EQ34 o TS588 (745.8) o EQ44 o TS1481 (767.8) o EQ178 o TS1501 (766.6) o EQ182 o TS1635 (786.3) o EQ206 o TS1770 (822.1) o EQ245 o TS1773 (738.4) o EQ247 o TS1775 (715.1) o EQ249 o TS1776 (719.1) o EQ249 o TS1780 (728.4) o DDC567 o TS1781 (743.4) o DDC568 o UDC227 o
[ EQ251 ]
C1 ENERGY= 711.7 kJ/mol ( -224.9894046 Hartree) Energy+ZPE= 699.4 kJ/mol ZPE= 0.0594452 CONNECTIONS: o TS564 (729.5) o EQ42 o TS596 (726.6) o EQ45 o TS930 (721.2) o EQ90 o TS1372 (751.4) o EQ160 o TS1719 (822.9) o EQ233 o TS1782 (726.2) o EQ251 o TS1783 (1011.9) o EQ251 o TS1784 (953.3) o EQ290 o UDC228 o
[ EQ252 ]
C1 ENERGY= 713.8 kJ/mol ( -224.9885804 Hartree) Energy+ZPE= 708.3 kJ/mol ZPE= 0.0620201 CONNECTIONS: o TS332 (758.7) o EQ26 o TS1094 (776.6) o EQ112 o TS1676 (791.8) o EQ216 o TS1785 (844.6) o EQ254 o TS1786 (734.8) o EQ257 o TS1787 (957.3) o EQ274 o TS1788 (921.5) o EQ283 o TS1789 (721.9) o DDC569 o TS1790 (892.2) o DDC570
[ EQ253 ]
C1 ENERGY= 717.7 kJ/mol ( -224.9871145 Hartree) Energy+ZPE= 709.8 kJ/mol ZPE= 0.0611114 CONNECTIONS: o TS442 (721.9) o EQ34 o TS443 (1019.4) o EQ34 o TS469 (772.1) o EQ36 o TS1190 (765.3) o EQ127 o TS1791 (724.6) o EQ256 o TS1792 (797.4) o EQ270 o TS1793 (783.3) o DDC571 o UDC229 o
[ EQ254 ]
C1 ENERGY= 720.6 kJ/mol ( -224.9859975 Hartree) Energy+ZPE= 714.6 kJ/mol ZPE= 0.0618426 CONNECTIONS: o TS91 (744.8) o EQ8 o TS333 (787.9) o EQ26 o TS1095 (761.7) o EQ112 o TS1785 (844.6) o EQ252 o TS1794 (741.3) o EQ264 o TS1795 (929.6) o EQ285 o TS1796 (724.2) o DDC572 o TS1797 (888.6) o DDC573
[ EQ255 ]
C1 ENERGY= 721.1 kJ/mol ( -224.9858135 Hartree) Energy+ZPE= 689.4 kJ/mol ZPE= 0.0520747 CONNECTIONS: o TS959 (721.1) o EQ93
[ EQ256 ]
C1 ENERGY= 721.9 kJ/mol ( -224.9855197 Hartree) Energy+ZPE= 713.8 kJ/mol ZPE= 0.0610546 CONNECTIONS: o TS470 (768.1) o EQ36 o TS492 (731.6) o EQ37 o TS606 (1014.7) o EQ46 o TS718 (773.0) o EQ60 o TS1791 (724.6) o EQ253 o TS1798 (789.3) o DDC574 o TS1799 (848.3) o DDC575
[ EQ257 ]
C1 ENERGY= 724.1 kJ/mol ( -224.9846531 Hartree) Energy+ZPE= 717.3 kJ/mol ZPE= 0.0615226 CONNECTIONS: o TS92 (746.6) o EQ8 o TS334 (772.9) o EQ26 o TS1096 (775.7) o EQ112 o TS1786 (734.8) o EQ252 o TS1800 (843.6) o EQ264 o TS1801 (724.5) o DDC576 o TS1802 (936.7) o DDC577 o UDC230 o
[ EQ258 ]
C1 ENERGY= 724.9 kJ/mol ( -224.9843701 Hartree) Energy+ZPE= 705.9 kJ/mol ZPE= 0.0568978 CONNECTIONS: o TS977 (725.1) o EQ95 o TS1057 (743.8) o EQ106 o TS1747 (825.7) o EQ241 o TS1803 (833.3) o EQ258 o TS1804 (834.2) o DDC578
[ EQ259 ]
C1 ENERGY= 728.6 kJ/mol ( -224.9829428 Hartree) Energy+ZPE= 707.3 kJ/mol ZPE= 0.0560161 CONNECTIONS: o TS978 (741.4) o EQ95 o TS1040 (740.7) o EQ105 o TS1805 (735.0) o EQ263 o TS1806 (739.9) o DDC579 o TS1807 (755.3) o DDC580
[ EQ260 ]
C1 ENERGY= 729.0 kJ/mol ( -224.9828018 Hartree) Energy+ZPE= 715.4 kJ/mol ZPE= 0.0589413 CONNECTIONS: o TS1538 (844.1) o EQ189 o TS1808 (732.0) o EQ260 o TS1809 (753.6) o EQ265 o TS1810 (803.7) o DDC581 o TS1811 (817.2) o DDC582 o TS1812 (819.2) o DDC583 o TS1813 (833.9) o DDC584 o TS1814 (846.6) o DDC585 o TS1815 (900.3) o DDC586 o TS1816 (904.9) o DDC587
[ EQ261 ]
C1 ENERGY= 729.4 kJ/mol ( -224.9826440 Hartree) Energy+ZPE= 718.3 kJ/mol ZPE= 0.0599156 CONNECTIONS: o TS699 (750.3) o EQ58 o TS1001 (737.9) o EQ97 o TS1373 (854.7) o EQ160 o TS1720 (853.4) o EQ233 o TS1817 (737.1) o EQ261 o TS1818 (892.1) o EQ261 o TS1819 (970.0) o EQ291 o TS1820 (1153.0) o DDC588 o TS1821 (1154.1) o DDC589 o UDC231 o
[ EQ262 ]
C1 ENERGY= 731.4 kJ/mol ( -224.9818849 Hartree) Energy+ZPE= 717.6 kJ/mol ZPE= 0.0588765 CONNECTIONS: o TS533 (747.0) o EQ40 o TS565 (750.0) o EQ42 o TS931 (743.0) o EQ90 o TS1421 (751.6) o EQ169 o TS1822 (750.0) o EQ262
[ EQ263 ]
C1 ENERGY= 733.2 kJ/mol ( -224.9811900 Hartree) Energy+ZPE= 711.5 kJ/mol ZPE= 0.0558485 CONNECTIONS: o TS1041 (742.9) o EQ105 o TS1805 (735.0) o EQ259 o TS1823 (739.6) o DDC590 o TS1824 (748.3) o DDC591 o UDC232 o
[ EQ264 ]
C1 ENERGY= 736.8 kJ/mol ( -224.9798426 Hartree) Energy+ZPE= 729.5 kJ/mol ZPE= 0.0613491 CONNECTIONS: o TS1097 (770.1) o EQ112 o TS1794 (741.3) o EQ254 o TS1800 (843.6) o EQ257 o TS1825 (982.4) o EQ273 o TS1826 (739.1) o DDC592
[ EQ265 ]
Cs ENERGY= 739.5 kJ/mol ( -224.9787907 Hartree) Energy+ZPE= 715.7 kJ/mol ZPE= 0.0550557 CONNECTIONS: o TS1809 (753.6) o EQ260 o TS1827 (746.4) o EQ268 o TS1828 (739.6) o DDC593
[ EQ266 ]
C1 ENERGY= 740.0 kJ/mol ( -224.9786023 Hartree) Energy+ZPE= 731.3 kJ/mol ZPE= 0.0608051 CONNECTIONS: o TS444 (745.9) o EQ34 o TS1171 (784.9) o EQ125 o TS1191 (778.3) o EQ127 o TS1829 (753.0) o EQ270 o TS1830 (793.0) o DDC594
[ EQ267 ]
Cs ENERGY= 740.5 kJ/mol ( -224.9784323 Hartree) Energy+ZPE= 718.2 kJ/mol ZPE= 0.0556512 CONNECTIONS: o TS1831 (741.9) o DDC595
[ EQ268 ]
Cs ENERGY= 744.4 kJ/mol ( -224.9769308 Hartree) Energy+ZPE= 729.8 kJ/mol ZPE= 0.0585723 CONNECTIONS: o TS1827 (746.4) o EQ265 o TS1832 (794.3) o DDC596 o TS1833 (846.1) o DDC597
[ EQ269 ]
C1 ENERGY= 746.7 kJ/mol ( -224.9760537 Hartree) Energy+ZPE= 721.4 kJ/mol ZPE= 0.0544966 CONNECTIONS: o TS1611 (747.8) o EQ201 o TS1834 (746.9) o DDC598 o TS1835 (747.7) o DDC599
[ EQ270 ]
C1 ENERGY= 746.9 kJ/mol ( -224.9759620 Hartree) Energy+ZPE= 736.8 kJ/mol ZPE= 0.0602878 CONNECTIONS: o TS445 (756.6) o EQ34 o TS719 (800.7) o EQ60 o TS1192 (786.2) o EQ127 o TS1792 (797.4) o EQ253 o TS1829 (753.0) o EQ266 o TS1836 (820.8) o DDC600 o TS1837 (847.4) o DDC601 o UDC233 o
[ EQ271 ]
C1 ENERGY= 751.9 kJ/mol ( -224.9740843 Hartree) Energy+ZPE= 739.6 kJ/mol ZPE= 0.0594560 CONNECTIONS: o TS658 (782.4) o EQ53 o TS664 (757.5) o EQ54 o TS1422 (847.3) o EQ169 o TS1838 (764.3) o EQ271 o TS1839 (974.1) o EQ288 o TS1840 (902.7) o EQ289 o TS1841 (835.2) o DDC602 o TS1842 (1150.2) o DDC603 o UDC234 o o UDC235 o
[ EQ272 ]
C1 ENERGY= 762.3 kJ/mol ( -224.9701198 Hartree) Energy+ZPE= 756.7 kJ/mol ZPE= 0.0619828 CONNECTIONS: o TS130 (781.0) o EQ11 o TS311 (771.9) o EQ25 o TS1689 (906.3) o EQ223 o TS1843 (783.9) o EQ274 o TS1844 (841.4) o EQ278 o TS1845 (770.4) o DDC604 o TS1846 (840.1) o DDC605 o TS1847 (881.5) o DDC606
[ EQ273 ]
C1 ENERGY= 768.3 kJ/mol ( -224.9678142 Hartree) Energy+ZPE= 763.2 kJ/mol ZPE= 0.0621802 CONNECTIONS: o TS93 (838.4) o EQ8 o TS131 (837.7) o EQ11 o TS312 (814.6) o EQ25 o TS1308 (797.6) o EQ146 o TS1683 (772.3) o EQ219 o TS1825 (982.4) o EQ264 o TS1848 (801.9) o EQ278 o TS1849 (907.5) o DDC607 o TS1850 (922.3) o DDC608
[ EQ274 ]
C1 ENERGY= 776.9 kJ/mol ( -224.9645387 Hartree) Energy+ZPE= 772.0 kJ/mol ZPE= 0.0622810 CONNECTIONS: o TS94 (843.1) o EQ8 o TS132 (830.5) o EQ11 o TS335 (829.6) o EQ26 o TS1243 (808.9) o EQ135 o TS1549 (948.6) o EQ190 o TS1690 (906.7) o EQ223 o TS1787 (957.3) o EQ252 o TS1843 (783.9) o EQ272 o TS1851 (825.2) o DDC609 o UDC236 o
[ EQ275 ]
C1 ENERGY= 778.2 kJ/mol ( -224.9640660 Hartree) Energy+ZPE= 769.3 kJ/mol ZPE= 0.0607403 CONNECTIONS: o TS507 (816.6) o EQ38 o TS1085 (803.2) o EQ111 o TS1139 (785.6) o EQ120 o TS1626 (779.8) o EQ205 o TS1852 (877.6) o DDC610 o TS1853 (933.1) o DDC611
[ EQ276 ]
C1 ENERGY= 778.4 kJ/mol ( -224.9639945 Hartree) Energy+ZPE= 767.2 kJ/mol ZPE= 0.0598773 CONNECTIONS: o TS336 (792.4) o EQ26 o TS750 (886.0) o EQ64 o TS1627 (784.5) o EQ205 o TS1854 (1010.9) o EQ279 o TS1855 (794.0) o EQ280 o TS1856 (815.6) o EQ280 o TS1857 (832.7) o EQ280 o TS1858 (981.7) o EQ296 o TS1859 (985.7) o DDC612 o TS1860 (999.4) o DDC613
[ EQ277 ]
C1 ENERGY= 781.4 kJ/mol ( -224.9628450 Hartree) Energy+ZPE= 771.1 kJ/mol ZPE= 0.0602171 CONNECTIONS: o TS313 (786.5) o EQ25 o TS776 (865.4) o EQ68 o TS1605 (788.9) o EQ200 o TS1660 (817.1) o EQ213 o TS1760 (953.5) o EQ243 o TS1861 (811.7) o EQ279 o TS1862 (829.1) o EQ279 o TS1863 (994.4) o EQ298 o TS1864 (830.8) o DDC614 o TS1865 (854.3) o DDC615
[ EQ278 ]
C1 ENERGY= 788.1 kJ/mol ( -224.9602998 Hartree) Energy+ZPE= 779.4 kJ/mol ZPE= 0.0608202 CONNECTIONS: o TS133 (797.0) o EQ11 o TS337 (793.3) o EQ26 o TS1550 (964.9) o EQ190 o TS1551 (990.0) o EQ190 o TS1844 (841.4) o EQ272 o TS1848 (801.9) o EQ273 o TS1866 (826.9) o DDC616 o TS1867 (866.5) o DDC617
[ EQ279 ]
C1 ENERGY= 788.7 kJ/mol ( -224.9600665 Hartree) Energy+ZPE= 778.0 kJ/mol ZPE= 0.0600402 CONNECTIONS: o TS572 (792.6) o EQ43 o TS1628 (821.5) o EQ205 o TS1645 (796.6) o EQ210 o TS1761 (944.6) o EQ243 o TS1854 (1010.9) o EQ276 o TS1861 (811.7) o EQ277 o TS1862 (829.1) o EQ277 o TS1868 (992.5) o EQ298 o TS1869 (857.6) o DDC618
[ EQ280 ]
C1 ENERGY= 792.3 kJ/mol ( -224.9586842 Hartree) Energy+ZPE= 781.3 kJ/mol ZPE= 0.0599400 CONNECTIONS: o TS314 (846.4) o EQ25 o TS338 (812.1) o EQ26 o TS751 (930.5) o EQ64 o TS1661 (803.5) o EQ213 o TS1855 (794.0) o EQ276 o TS1856 (815.6) o EQ276 o TS1857 (832.7) o EQ276 o TS1870 (878.2) o DDC619
[ EQ281 ]
C1 ENERGY= 813.9 kJ/mol ( -224.9504536 Hartree) Energy+ZPE= 801.3 kJ/mol ZPE= 0.0593488 CONNECTIONS: o TS520 (840.8) o EQ39 o TS1606 (829.0) o EQ200 o TS1662 (822.2) o EQ213 o TS1871 (852.3) o EQ284 o TS1872 (852.4) o EQ284 o TS1873 (863.8) o EQ284 o TS1874 (999.0) o EQ294 o TS1875 (820.3) o DDC620 o TS1876 (901.1) o DDC621 o UDC237 o
[ EQ282 ]
C1 ENERGY= 815.1 kJ/mol ( -224.9499919 Hartree) Energy+ZPE= 796.9 kJ/mol ZPE= 0.0571847 CONNECTIONS: o TS315 (828.7) o EQ25 o TS521 (823.0) o EQ39 o TS1590 (816.3) o EQ197 o TS1646 (826.3) o EQ210 o TS1764 (822.7) o EQ244 o TS1877 (843.6) o DDC622 o TS1878 (843.6) o DDC623
[ EQ283 ]
C1 ENERGY= 827.1 kJ/mol ( -224.9454199 Hartree) Energy+ZPE= 819.3 kJ/mol ZPE= 0.0611599 CONNECTIONS: o TS358 (883.4) o EQ27 o TS1292 (892.3) o EQ143 o TS1552 (985.7) o EQ190 o TS1666 (975.7) o EQ214 o TS1677 (908.5) o EQ216 o TS1701 (935.1) o EQ228 o TS1726 (895.0) o EQ234 o TS1788 (921.5) o EQ252 o TS1879 (905.5) o EQ285 o TS1880 (947.3) o EQ285 o TS1881 (867.2) o DDC624 o TS1882 (1032.4) o DDC625 o TS1883 (1147.7) o DDC626 o UDC238 o
[ EQ284 ]
C1 ENERGY= 836.1 kJ/mol ( -224.9419904 Hartree) Energy+ZPE= 821.7 kJ/mol ZPE= 0.0586481 CONNECTIONS: o TS339 (852.9) o EQ26 o TS611 (843.8) o EQ47 o TS1595 (848.6) o EQ198 o TS1629 (845.4) o EQ205 o TS1871 (852.3) o EQ281 o TS1872 (852.4) o EQ281 o TS1873 (863.8) o EQ281 o TS1884 (1032.3) o EQ300
[ EQ285 ]
C1 ENERGY= 848.2 kJ/mol ( -224.9374132 Hartree) Energy+ZPE= 839.4 kJ/mol ZPE= 0.0607762 CONNECTIONS: o TS1153 (920.4) o EQ124 o TS1702 (898.4) o EQ228 o TS1710 (897.1) o EQ231 o TS1795 (929.6) o EQ254 o TS1879 (905.5) o EQ283 o TS1880 (947.3) o EQ283 o TS1885 (881.7) o DDC627 o TS1886 (1042.0) o DDC628 o TS1887 (1081.1) o DDC629 o UDC239 o o UDC240 o
[ EQ286 ]
C1 ENERGY= 858.0 kJ/mol ( -224.9336529 Hartree) Energy+ZPE= 841.2 kJ/mol ZPE= 0.0577201 CONNECTIONS: o TS1667 (860.1) o EQ214 o TS1888 (858.2) o DDC630 o TS1889 (864.5) o DDC631
[ EQ287 ]
Cs ENERGY= 860.2 kJ/mol ( -224.9328164 Hartree) Energy+ZPE= 843.7 kJ/mol ZPE= 0.0578570 CONNECTIONS: o TS1448 (960.3) o EQ173 o TS1890 (872.2) o EQ287 o TS1891 (1173.7) o EQ287 o TS1892 (946.9) o EQ290 o TS1893 (905.8) o DDC632 o TS1894 (913.4) o DDC633 o TS1895 (938.1) o DDC634 o TS1896 (938.3) o DDC635 o TS1897 (948.7) o DDC636 o UDC241 o
[ EQ288 ]
C1 ENERGY= 868.2 kJ/mol ( -224.9297757 Hartree) Energy+ZPE= 854.5 kJ/mol ZPE= 0.0589285 CONNECTIONS: o TS1356 (1033.7) o EQ157 o TS1495 (937.3) o EQ181 o TS1522 (1003.8) o EQ186 o TS1839 (974.1) o EQ271 o TS1898 (869.8) o EQ288 o TS1899 (1055.0) o EQ301 o TS1900 (1043.0) o DDC637 o TS1901 (1315.4) o DDC638 o TS1902 (1324.1) o DDC639 o UDC242 o
[ EQ289 ]
Cs ENERGY= 879.9 kJ/mol ( -224.9253337 Hartree) Energy+ZPE= 864.9 kJ/mol ZPE= 0.0584273 CONNECTIONS: o TS1840 (902.7) o EQ271 o TS1903 (882.7) o DDC640 o TS1904 (919.2) o DDC641 o TS1905 (995.1) o DDC642
[ EQ290 ]
C1 ENERGY= 906.9 kJ/mol ( -224.9150472 Hartree) Energy+ZPE= 885.6 kJ/mol ZPE= 0.0560106 CONNECTIONS: o TS1565 (996.1) o EQ193 o TS1784 (953.3) o EQ251 o TS1892 (946.9) o EQ287 o TS1906 (907.3) o EQ290 o TS1907 (908.5) o EQ290 o TS1908 (930.7) o DDC643
[ EQ291 ]
Cs ENERGY= 909.3 kJ/mol ( -224.9141273 Hartree) Energy+ZPE= 891.8 kJ/mol ZPE= 0.0574642 CONNECTIONS: o TS1819 (970.0) o EQ261 o TS1909 (913.9) o EQ291 o TS1910 (1073.6) o EQ302 o TS1911 (965.6) o DDC644 o TS1912 (970.1) o DDC645 o UDC243 o o UDC244 o
[ EQ292 ]
C2 ENERGY= 913.8 kJ/mol ( -224.9124289 Hartree) Energy+ZPE= 898.4 kJ/mol ZPE= 0.0582531 CONNECTIONS: o TS1913 (929.3) o EQ292 o TS1914 (944.8) o EQ293 o TS1915 (1065.5) o EQ296 o TS1916 (964.9) o DDC646 o TS1917 (1003.4) o DDC647
[ EQ293 ]
C1 ENERGY= 925.9 kJ/mol ( -224.9077950 Hartree) Energy+ZPE= 909.5 kJ/mol ZPE= 0.0578953 CONNECTIONS: o TS1914 (944.8) o EQ292 o TS1918 (932.1) o EQ293 o TS1919 (1022.6) o EQ293 o TS1920 (986.6) o EQ295 o TS1921 (1083.5) o EQ298 o TS1922 (996.5) o EQ301 o TS1923 (976.2) o DDC648 o TS1924 (978.6) o DDC649 o TS1925 (1005.6) o DDC650 o TS1926 (1015.5) o DDC651 o TS1927 (1025.1) o DDC652 o TS1928 (1063.1) o DDC653
[ EQ294 ]
Cs ENERGY= 949.7 kJ/mol ( -224.8987253 Hartree) Energy+ZPE= 931.5 kJ/mol ZPE= 0.0571981 CONNECTIONS: o TS340 (987.4) o EQ26 o TS1539 (1040.9) o EQ189 o TS1874 (999.0) o EQ281 o TS1929 (994.8) o EQ294 o TS1930 (964.6) o EQ297 o TS1931 (1030.3) o EQ298 o TS1932 (1037.0) o EQ298 o TS1933 (997.6) o DDC654
[ EQ295 ]
C2 ENERGY= 952.7 kJ/mol ( -224.8975935 Hartree) Energy+ZPE= 935.4 kJ/mol ZPE= 0.0575464 CONNECTIONS: o TS1920 (986.6) o EQ293 o TS1934 (969.3) o EQ295 o TS1935 (1008.2) o EQ302 o TS1936 (982.1) o DDC655
[ EQ296 ]
C1 ENERGY= 954.9 kJ/mol ( -224.8967514 Hartree) Energy+ZPE= 937.7 kJ/mol ZPE= 0.0575683 CONNECTIONS: o TS1266 (987.0) o EQ139 o TS1267 (987.2) o EQ139 o TS1317 (999.4) o EQ147 o TS1858 (981.7) o EQ276 o TS1915 (1065.5) o EQ292 o TS1937 (970.8) o EQ296 o TS1938 (964.8) o EQ298 o TS1939 (971.1) o EQ300 o TS1940 (974.5) o EQ300 o TS1941 (1017.2) o EQ300 o TS1942 (1042.3) o DDC656 o TS1943 (1345.5) o DDC657
[ EQ297 ]
C1 ENERGY= 960.1 kJ/mol ( -224.8947733 Hartree) Energy+ZPE= 937.1 kJ/mol ZPE= 0.0553722 CONNECTIONS: o TS1098 (990.8) o EQ112 o TS1596 (992.8) o EQ198 o TS1930 (964.6) o EQ294 o TS1944 (982.2) o EQ297 o TS1945 (985.3) o DDC658 o UDC245 o
[ EQ298 ]
C1 ENERGY= 960.9 kJ/mol ( -224.8944599 Hartree) Energy+ZPE= 944.3 kJ/mol ZPE= 0.0578259 CONNECTIONS: o TS1540 (1031.5) o EQ189 o TS1597 (1024.6) o EQ198 o TS1863 (994.4) o EQ277 o TS1868 (992.5) o EQ279 o TS1921 (1083.5) o EQ293 o TS1931 (1030.3) o EQ294 o TS1932 (1037.0) o EQ294 o TS1938 (964.8) o EQ296 o TS1946 (982.2) o EQ298 o TS1947 (962.5) o EQ299 o TS1948 (971.5) o EQ300
[ EQ299 ]
C1 ENERGY= 962.1 kJ/mol ( -224.8940074 Hartree) Energy+ZPE= 944.7 kJ/mol ZPE= 0.0575134 CONNECTIONS: o TS1947 (962.5) o EQ298 o UDC246 o
[ EQ300 ]
C1 ENERGY= 968.5 kJ/mol ( -224.8915737 Hartree) Energy+ZPE= 949.2 kJ/mol ZPE= 0.0567751 CONNECTIONS: o TS341 (1031.5) o EQ26 o TS1884 (1032.3) o EQ284 o TS1939 (971.1) o EQ296 o TS1940 (974.5) o EQ296 o TS1941 (1017.2) o EQ296 o TS1948 (971.5) o EQ298 o TS1949 (984.1) o EQ300 o TS1950 (1051.3) o DDC659
[ EQ301 ]
Cs ENERGY= 995.9 kJ/mol ( -224.8811518 Hartree) Energy+ZPE= 972.9 kJ/mol ZPE= 0.0553838 CONNECTIONS: o TS1899 (1055.0) o EQ288 o TS1922 (996.5) o EQ293 o TS1951 (1017.1) o DDC660
[ EQ302 ]
Cs ENERGY= 1007.4 kJ/mol ( -224.8767459 Hartree) Energy+ZPE= 985.7 kJ/mol ZPE= 0.0558747 CONNECTIONS: o TS1910 (1073.6) o EQ291 o TS1935 (1008.2) o EQ295 o UDC247 o
[ TS0 ] Animation
Cs ENERGY= 34.2 kJ/mol Energy+ZPE= 31.1 kJ/mol ZPE= 0.0629630 CONNECTIONS: o EQ0 o EQ0
[ TS1 ] Animation
C1 ENERGY= 5.8 kJ/mol Energy+ZPE= 2.3 kJ/mol ZPE= 0.0627804 CONNECTIONS: o EQ0 o EQ1
[ TS2 ] Animation
C1 ENERGY= 61.2 kJ/mol Energy+ZPE= 56.3 kJ/mol ZPE= 0.0622517 CONNECTIONS: o EQ0 o EQ1
[ TS3 ] Animation
C1 ENERGY= 203.4 kJ/mol Energy+ZPE= 187.2 kJ/mol ZPE= 0.0579705 CONNECTIONS: o EQ0 o EQ3
[ TS4 ] Animation
C1 ENERGY= 555.4 kJ/mol Energy+ZPE= 538.3 kJ/mol ZPE= 0.0576239 CONNECTIONS: o EQ0 o EQ64
[ TS5 ] Animation
C1 ENERGY= 553.1 kJ/mol Energy+ZPE= 534.5 kJ/mol ZPE= 0.0570474 CONNECTIONS: o EQ0 o EQ67
[ TS6 ] Animation
C1 ENERGY= 568.8 kJ/mol Energy+ZPE= 552.7 kJ/mol ZPE= 0.0580017 CONNECTIONS: o EQ0 o EQ106
[ TS7 ] Animation
C1 ENERGY= 650.5 kJ/mol Energy+ZPE= 638.4 kJ/mol ZPE= 0.0595053 CONNECTIONS: o EQ0 o EQ106
[ TS8 ] Animation
Cs ENERGY= 210.6 kJ/mol Energy+ZPE= 195.7 kJ/mol ZPE= 0.0584392 CONNECTIONS: o EQ0 o DDC0
[ TS9 ] Animation
C1 ENERGY= 546.3 kJ/mol Energy+ZPE= 527.9 kJ/mol ZPE= 0.0571040 CONNECTIONS: o EQ1 o EQ64
[ TS10 ] Animation
C1 ENERGY= 561.8 kJ/mol Energy+ZPE= 541.2 kJ/mol ZPE= 0.0562831 CONNECTIONS: o EQ1 o EQ67
[ TS11 ] Animation
C1 ENERGY= 546.4 kJ/mol Energy+ZPE= 527.3 kJ/mol ZPE= 0.0568512 CONNECTIONS: o EQ1 o EQ68
[ TS12 ] Animation
C1 ENERGY= 528.8 kJ/mol Energy+ZPE= 510.7 kJ/mol ZPE= 0.0572395 CONNECTIONS: o EQ2 o EQ9
[ TS13 ] Animation
Cs ENERGY= 77.9 kJ/mol Energy+ZPE= 73.8 kJ/mol ZPE= 0.0625520 CONNECTIONS: o EQ3 o EQ3
[ TS14 ] Animation
Cs ENERGY= 104.6 kJ/mol Energy+ZPE= 102.0 kJ/mol ZPE= 0.0631265 CONNECTIONS: o EQ3 o EQ3
[ TS15 ] Animation
Cs ENERGY= 121.3 kJ/mol Energy+ZPE= 118.5 kJ/mol ZPE= 0.0630792 CONNECTIONS: o EQ3 o EQ3
[ TS16 ] Animation
C1 ENERGY= 162.6 kJ/mol Energy+ZPE= 154.9 kJ/mol ZPE= 0.0612054 CONNECTIONS: o EQ3 o EQ4
[ TS17 ] Animation
C1 ENERGY= 116.8 kJ/mol Energy+ZPE= 111.9 kJ/mol ZPE= 0.0622802 CONNECTIONS: o EQ3 o EQ6
[ TS18 ] Animation
C1 ENERGY= 629.8 kJ/mol Energy+ZPE= 600.3 kJ/mol ZPE= 0.0529045 CONNECTIONS: o EQ3 o EQ19
[ TS19 ] Animation
C1 ENERGY= 568.9 kJ/mol Energy+ZPE= 553.0 kJ/mol ZPE= 0.0580921 CONNECTIONS: o EQ3 o EQ21
[ TS20 ] Animation
C1 ENERGY= 575.3 kJ/mol Energy+ZPE= 560.1 kJ/mol ZPE= 0.0583275 CONNECTIONS: o EQ3 o EQ21
[ TS21 ] Animation
C1 ENERGY= 562.0 kJ/mol Energy+ZPE= 548.9 kJ/mol ZPE= 0.0591521 CONNECTIONS: o EQ3 o EQ78
[ TS22 ] Animation
C1 ENERGY= 614.7 kJ/mol Energy+ZPE= 599.9 kJ/mol ZPE= 0.0584988 CONNECTIONS: o EQ3 o EQ85
[ TS23 ] Animation
C1 ENERGY= 581.5 kJ/mol Energy+ZPE= 567.6 kJ/mol ZPE= 0.0588529 CONNECTIONS: o EQ3 o EQ89
[ TS24 ] Animation
C1 ENERGY= 602.4 kJ/mol Energy+ZPE= 584.4 kJ/mol ZPE= 0.0572805 CONNECTIONS: o EQ3 o EQ105
[ TS25 ] Animation
C1 ENERGY= 340.5 kJ/mol Energy+ZPE= 319.2 kJ/mol ZPE= 0.0560005 CONNECTIONS: o EQ3 o DDC1
[ TS26 ] Animation
Cs ENERGY= 371.8 kJ/mol Energy+ZPE= 353.7 kJ/mol ZPE= 0.0572368 CONNECTIONS: o EQ3 o DDC2
[ TS27 ] Animation
C1 ENERGY= 535.1 kJ/mol Energy+ZPE= 499.7 kJ/mol ZPE= 0.0506613 CONNECTIONS: o EQ3 o DDC3
[ TS28 ] Animation
Cs ENERGY= 88.2 kJ/mol Energy+ZPE= 82.9 kJ/mol ZPE= 0.0621036 CONNECTIONS: o EQ4 o EQ4
[ TS29 ] Animation
Cs ENERGY= 129.9 kJ/mol Energy+ZPE= 126.6 kJ/mol ZPE= 0.0628658 CONNECTIONS: o EQ4 o EQ4
[ TS30 ] Animation
Cs ENERGY= 132.3 kJ/mol Energy+ZPE= 128.1 kJ/mol ZPE= 0.0625133 CONNECTIONS: o EQ4 o EQ4
[ TS31 ] Animation
C1 ENERGY= 104.3 kJ/mol Energy+ZPE= 99.7 kJ/mol ZPE= 0.0623814 CONNECTIONS: o EQ4 o EQ5
[ TS32 ] Animation
C1 ENERGY= 288.1 kJ/mol Energy+ZPE= 271.4 kJ/mol ZPE= 0.0577519 CONNECTIONS: o EQ4 o EQ5
[ TS33 ] Animation
Cs ENERGY= 723.8 kJ/mol Energy+ZPE= 681.6 kJ/mol ZPE= 0.0480577 CONNECTIONS: o EQ4 o EQ26
[ TS34 ] Animation
C1 ENERGY= 604.4 kJ/mol Energy+ZPE= 586.4 kJ/mol ZPE= 0.0572868 CONNECTIONS: o EQ4 o EQ88
[ TS35 ] Animation
C1 ENERGY= 571.4 kJ/mol Energy+ZPE= 553.9 kJ/mol ZPE= 0.0574821 CONNECTIONS: o EQ4 o EQ98
[ TS36 ] Animation
C1 ENERGY= 539.7 kJ/mol Energy+ZPE= 523.3 kJ/mol ZPE= 0.0579020 CONNECTIONS: o EQ4 o EQ109
[ TS37 ] Animation
C1 ENERGY= 557.1 kJ/mol Energy+ZPE= 540.2 kJ/mol ZPE= 0.0576994 CONNECTIONS: o EQ4 o EQ109
[ TS38 ] Animation
C1 ENERGY= 697.3 kJ/mol Energy+ZPE= 679.1 kJ/mol ZPE= 0.0571863 CONNECTIONS: o EQ4 o EQ120
[ TS39 ] Animation
C1 ENERGY= 330.9 kJ/mol Energy+ZPE= 306.9 kJ/mol ZPE= 0.0549811 CONNECTIONS: o EQ4 o DDC4
[ TS40 ] Animation
C1 ENERGY= 561.1 kJ/mol Energy+ZPE= 525.4 kJ/mol ZPE= 0.0505355 CONNECTIONS: o EQ4 o DDC5
[ TS41 ] Animation
C1 ENERGY= 102.9 kJ/mol Energy+ZPE= 96.1 kJ/mol ZPE= 0.0615328 CONNECTIONS: o EQ5 o EQ5
[ TS42 ] Animation
Cs ENERGY= 109.8 kJ/mol Energy+ZPE= 107.0 kJ/mol ZPE= 0.0630593 CONNECTIONS: o EQ5 o EQ5
[ TS43 ] Animation
Cs ENERGY= 138.8 kJ/mol Energy+ZPE= 133.5 kJ/mol ZPE= 0.0621086 CONNECTIONS: o EQ5 o EQ5
[ TS44 ] Animation
C1 ENERGY= 197.2 kJ/mol Energy+ZPE= 187.5 kJ/mol ZPE= 0.0604549 CONNECTIONS: o EQ5 o EQ6
[ TS45 ] Animation
C1 ENERGY= 198.1 kJ/mol Energy+ZPE= 188.3 kJ/mol ZPE= 0.0604041 CONNECTIONS: o EQ5 o EQ6
[ TS46 ] Animation
C1 ENERGY= 555.8 kJ/mol Energy+ZPE= 537.4 kJ/mol ZPE= 0.0571163 CONNECTIONS: o EQ5 o EQ63
[ TS47 ] Animation
C1 ENERGY= 589.9 kJ/mol Energy+ZPE= 574.3 kJ/mol ZPE= 0.0581985 CONNECTIONS: o EQ5 o EQ77
[ TS48 ] Animation
C1 ENERGY= 549.8 kJ/mol Energy+ZPE= 535.7 kJ/mol ZPE= 0.0587594 CONNECTIONS: o EQ5 o EQ85
[ TS49 ] Animation
C1 ENERGY= 544.1 kJ/mol Energy+ZPE= 528.2 kJ/mol ZPE= 0.0580587 CONNECTIONS: o EQ5 o EQ124
[ TS50 ] Animation
Cs ENERGY= 237.9 kJ/mol Energy+ZPE= 223.6 kJ/mol ZPE= 0.0587016 CONNECTIONS: o EQ5 o DDC6
[ TS51 ] Animation
C1 ENERGY= 372.2 kJ/mol Energy+ZPE= 349.3 kJ/mol ZPE= 0.0554009 CONNECTIONS: o EQ5 o DDC7
[ TS52 ] Animation
C1 ENERGY= 587.7 kJ/mol Energy+ZPE= 549.7 kJ/mol ZPE= 0.0496470 CONNECTIONS: o EQ5 o DDC8
[ TS53 ] Animation
C1 ENERGY= 604.5 kJ/mol Energy+ZPE= 565.2 kJ/mol ZPE= 0.0491626 CONNECTIONS: o EQ5 o DDC9
[ TS54 ] Animation
C1 ENERGY= 119.1 kJ/mol Energy+ZPE= 112.7 kJ/mol ZPE= 0.0617043 CONNECTIONS: o EQ6 o EQ6
[ TS55 ] Animation
Cs ENERGY= 127.8 kJ/mol Energy+ZPE= 124.7 kJ/mol ZPE= 0.0629426 CONNECTIONS: o EQ6 o EQ6
[ TS56 ] Animation
Cs ENERGY= 138.1 kJ/mol Energy+ZPE= 133.4 kJ/mol ZPE= 0.0623596 CONNECTIONS: o EQ6 o EQ6
[ TS57 ] Animation
C1 ENERGY= 580.1 kJ/mol Energy+ZPE= 564.8 kJ/mol ZPE= 0.0582964 CONNECTIONS: o EQ6 o EQ21
[ TS58 ] Animation
C1 ENERGY= 584.2 kJ/mol Energy+ZPE= 571.4 kJ/mol ZPE= 0.0592729 CONNECTIONS: o EQ6 o EQ73
[ TS59 ] Animation
C1 ENERGY= 559.7 kJ/mol Energy+ZPE= 548.2 kJ/mol ZPE= 0.0597357 CONNECTIONS: o EQ6 o EQ87
[ TS60 ] Animation
Cs ENERGY= 260.3 kJ/mol Energy+ZPE= 243.7 kJ/mol ZPE= 0.0578144 CONNECTIONS: o EQ6 o DDC10
[ TS61 ] Animation
C1 ENERGY= 128.1 kJ/mol Energy+ZPE= 116.2 kJ/mol ZPE= 0.0596071 CONNECTIONS: o EQ7 o EQ7
[ TS62 ] Animation
Cs ENERGY= 163.4 kJ/mol Energy+ZPE= 154.9 kJ/mol ZPE= 0.0609112 CONNECTIONS: o EQ7 o DDC11
[ TS63 ] Animation
C1 ENERGY= 142.7 kJ/mol Energy+ZPE= 140.1 kJ/mol ZPE= 0.0631374 CONNECTIONS: o EQ8 o EQ8
[ TS64 ] Animation
C1 ENERGY= 246.4 kJ/mol Energy+ZPE= 241.1 kJ/mol ZPE= 0.0621024 CONNECTIONS: o EQ8 o EQ9
[ TS65 ] Animation
C1 ENERGY= 429.9 kJ/mol Energy+ZPE= 419.0 kJ/mol ZPE= 0.0599794 CONNECTIONS: o EQ8 o EQ9
[ TS66 ] Animation
C1 ENERGY= 232.1 kJ/mol Energy+ZPE= 228.1 kJ/mol ZPE= 0.0626154 CONNECTIONS: o EQ8 o EQ10
[ TS67 ] Animation
C1 ENERGY= 236.6 kJ/mol Energy+ZPE= 231.7 kJ/mol ZPE= 0.0622677 CONNECTIONS: o EQ8 o EQ10
[ TS68 ] Animation
C1 ENERGY= 178.2 kJ/mol Energy+ZPE= 173.7 kJ/mol ZPE= 0.0624043 CONNECTIONS: o EQ8 o EQ11
[ TS69 ] Animation
C1 ENERGY= 178.3 kJ/mol Energy+ZPE= 173.4 kJ/mol ZPE= 0.0622686 CONNECTIONS: o EQ8 o EQ11
[ TS70 ] Animation
Cs ENERGY= 179.8 kJ/mol Energy+ZPE= 174.1 kJ/mol ZPE= 0.0619506 CONNECTIONS: o EQ8 o EQ11
[ TS71 ] Animation
C1 ENERGY= 513.8 kJ/mol Energy+ZPE= 493.5 kJ/mol ZPE= 0.0564008 CONNECTIONS: o EQ8 o EQ11
[ TS72 ] Animation
C1 ENERGY= 378.1 kJ/mol Energy+ZPE= 360.7 kJ/mol ZPE= 0.0575115 CONNECTIONS: o EQ8 o EQ16
[ TS73 ] Animation
C1 ENERGY= 373.2 kJ/mol Energy+ZPE= 356.9 kJ/mol ZPE= 0.0579146 CONNECTIONS: o EQ8 o EQ20
[ TS74 ] Animation
C1 ENERGY= 570.5 kJ/mol Energy+ZPE= 553.1 kJ/mol ZPE= 0.0574952 CONNECTIONS: o EQ8 o EQ25
[ TS75 ] Animation
C1 ENERGY= 473.9 kJ/mol Energy+ZPE= 457.8 kJ/mol ZPE= 0.0579811 CONNECTIONS: o EQ8 o EQ26
[ TS76 ] Animation
C1 ENERGY= 558.9 kJ/mol Energy+ZPE= 542.2 kJ/mol ZPE= 0.0577885 CONNECTIONS: o EQ8 o EQ26
[ TS77 ] Animation
C1 ENERGY= 567.0 kJ/mol Energy+ZPE= 542.4 kJ/mol ZPE= 0.0547755 CONNECTIONS: o EQ8 o EQ26
[ TS78 ] Animation
C1 ENERGY= 484.0 kJ/mol Energy+ZPE= 474.2 kJ/mol ZPE= 0.0604155 CONNECTIONS: o EQ8 o EQ41
[ TS79 ] Animation
C1 ENERGY= 592.0 kJ/mol Energy+ZPE= 574.3 kJ/mol ZPE= 0.0573921 CONNECTIONS: o EQ8 o EQ43
[ TS80 ] Animation
C1 ENERGY= 471.4 kJ/mol Energy+ZPE= 461.4 kJ/mol ZPE= 0.0603090 CONNECTIONS: o EQ8 o EQ56
[ TS81 ] Animation
C1 ENERGY= 310.3 kJ/mol Energy+ZPE= 299.9 kJ/mol ZPE= 0.0601630 CONNECTIONS: o EQ8 o EQ61
[ TS82 ] Animation
C1 ENERGY= 525.6 kJ/mol Energy+ZPE= 509.1 kJ/mol ZPE= 0.0578405 CONNECTIONS: o EQ8 o EQ67
[ TS83 ] Animation
C1 ENERGY= 476.8 kJ/mol Energy+ZPE= 458.5 kJ/mol ZPE= 0.0571708 CONNECTIONS: o EQ8 o EQ73
[ TS84 ] Animation
C1 ENERGY= 340.0 kJ/mol Energy+ZPE= 331.7 kJ/mol ZPE= 0.0609647 CONNECTIONS: o EQ8 o EQ81
[ TS85 ] Animation
C1 ENERGY= 453.3 kJ/mol Energy+ZPE= 441.9 kJ/mol ZPE= 0.0597915 CONNECTIONS: o EQ8 o EQ143
[ TS86 ] Animation
C1 ENERGY= 492.7 kJ/mol Energy+ZPE= 475.3 kJ/mol ZPE= 0.0574996 CONNECTIONS: o EQ8 o EQ143
[ TS87 ] Animation
C1 ENERGY= 522.2 kJ/mol Energy+ZPE= 502.9 kJ/mol ZPE= 0.0567794 CONNECTIONS: o EQ8 o EQ164
[ TS88 ] Animation
C1 ENERGY= 551.7 kJ/mol Energy+ZPE= 532.1 kJ/mol ZPE= 0.0566699 CONNECTIONS: o EQ8 o EQ183
[ TS89 ] Animation
C1 ENERGY= 563.9 kJ/mol Energy+ZPE= 536.5 kJ/mol ZPE= 0.0536979 CONNECTIONS: o EQ8 o EQ183
[ TS90 ] Animation
C1 ENERGY= 734.3 kJ/mol Energy+ZPE= 722.4 kJ/mol ZPE= 0.0595859 CONNECTIONS: o EQ8 o EQ232
[ TS91 ] Animation
C1 ENERGY= 744.8 kJ/mol Energy+ZPE= 735.5 kJ/mol ZPE= 0.0605877 CONNECTIONS: o EQ8 o EQ254
[ TS92 ] Animation
C1 ENERGY= 746.6 kJ/mol Energy+ZPE= 735.4 kJ/mol ZPE= 0.0598465 CONNECTIONS: o EQ8 o EQ257
[ TS93 ] Animation
C1 ENERGY= 838.4 kJ/mol Energy+ZPE= 825.4 kJ/mol ZPE= 0.0591645 CONNECTIONS: o EQ8 o EQ273
[ TS94 ] Animation
C1 ENERGY= 843.1 kJ/mol Energy+ZPE= 828.1 kJ/mol ZPE= 0.0584235 CONNECTIONS: o EQ8 o EQ274
[ TS95 ] Animation
C1 ENERGY= 502.1 kJ/mol Energy+ZPE= 478.6 kJ/mol ZPE= 0.0551860 CONNECTIONS: o EQ8 o DDC12
[ TS96 ] Animation
C1 ENERGY= 507.9 kJ/mol Energy+ZPE= 483.7 kJ/mol ZPE= 0.0549017 CONNECTIONS: o EQ8 o DDC13
[ TS97 ] Animation
C1 ENERGY= 513.7 kJ/mol Energy+ZPE= 480.0 kJ/mol ZPE= 0.0512945 CONNECTIONS: o EQ8 o DDC14
[ TS98 ] Animation
C1 ENERGY= 539.8 kJ/mol Energy+ZPE= 520.6 kJ/mol ZPE= 0.0568163 CONNECTIONS: o EQ8 o DDC15
[ TS99 ] Animation
C1 ENERGY= 492.6 kJ/mol Energy+ZPE= 471.9 kJ/mol ZPE= 0.0562637 CONNECTIONS: o EQ9 o EQ9
[ TS100 ] Animation
Cs ENERGY= 170.8 kJ/mol Energy+ZPE= 165.5 kJ/mol ZPE= 0.0621051 CONNECTIONS: o EQ9 o EQ10
[ TS101 ] Animation
C1 ENERGY= 181.1 kJ/mol Energy+ZPE= 177.3 kJ/mol ZPE= 0.0626666 CONNECTIONS: o EQ9 o EQ10
[ TS102 ] Animation
C1 ENERGY= 239.1 kJ/mol Energy+ZPE= 234.2 kJ/mol ZPE= 0.0622751 CONNECTIONS: o EQ9 o EQ11
[ TS103 ] Animation
C1 ENERGY= 245.2 kJ/mol Energy+ZPE= 239.4 kJ/mol ZPE= 0.0619056 CONNECTIONS: o EQ9 o EQ11
[ TS104 ] Animation
C1 ENERGY= 516.7 kJ/mol Energy+ZPE= 497.5 kJ/mol ZPE= 0.0568038 CONNECTIONS: o EQ9 o EQ13
[ TS105 ] Animation
Cs ENERGY= 342.2 kJ/mol Energy+ZPE= 326.1 kJ/mol ZPE= 0.0580007 CONNECTIONS: o EQ9 o EQ15
[ TS106 ] Animation
C1 ENERGY= 571.7 kJ/mol Energy+ZPE= 554.1 kJ/mol ZPE= 0.0574381 CONNECTIONS: o EQ9 o EQ25
[ TS107 ] Animation
C1 ENERGY= 509.9 kJ/mol Energy+ZPE= 497.0 kJ/mol ZPE= 0.0591999 CONNECTIONS: o EQ9 o EQ68
[ TS108 ] Animation
Cs ENERGY= 497.3 kJ/mol Energy+ZPE= 477.8 kJ/mol ZPE= 0.0567187 CONNECTIONS: o EQ9 o EQ85
[ TS109 ] Animation
C1 ENERGY= 455.7 kJ/mol Energy+ZPE= 438.2 kJ/mol ZPE= 0.0574821 CONNECTIONS: o EQ9 o EQ107
[ TS110 ] Animation
C1 ENERGY= 451.8 kJ/mol Energy+ZPE= 439.1 kJ/mol ZPE= 0.0592760 CONNECTIONS: o EQ9 o EQ143
[ TS111 ] Animation
C1 ENERGY= 546.9 kJ/mol Energy+ZPE= 520.7 kJ/mol ZPE= 0.0541361 CONNECTIONS: o EQ9 o EQ172
[ TS112 ] Animation
C1 ENERGY= 721.1 kJ/mol Energy+ZPE= 709.6 kJ/mol ZPE= 0.0597528 CONNECTIONS: o EQ9 o EQ238
[ TS113 ] Animation
C1 ENERGY= 736.7 kJ/mol Energy+ZPE= 721.7 kJ/mol ZPE= 0.0584065 CONNECTIONS: o EQ9 o EQ244
[ TS114 ] Animation
C1 ENERGY= 420.4 kJ/mol Energy+ZPE= 402.5 kJ/mol ZPE= 0.0573037 CONNECTIONS: o EQ9 o DDC16
[ TS115 ] Animation
C1 ENERGY= 449.4 kJ/mol Energy+ZPE= 431.7 kJ/mol ZPE= 0.0573961 CONNECTIONS: o EQ9 o DDC17
[ TS116 ] Animation
C1 ENERGY= 552.1 kJ/mol Energy+ZPE= 519.7 kJ/mol ZPE= 0.0517765 CONNECTIONS: o EQ9 o DDC18
[ TS117 ] Animation
C1 ENERGY= 639.9 kJ/mol Energy+ZPE= 607.0 kJ/mol ZPE= 0.0516113 CONNECTIONS: o EQ9 o DDC19
[ TS118 ] Animation
C1 ENERGY= 362.1 kJ/mol Energy+ZPE= 344.6 kJ/mol ZPE= 0.0574717 CONNECTIONS: o EQ10 o EQ13
[ TS119 ] Animation
C1 ENERGY= 519.5 kJ/mol Energy+ZPE= 499.6 kJ/mol ZPE= 0.0565615 CONNECTIONS: o EQ10 o EQ13
[ TS120 ] Animation
C1 ENERGY= 426.6 kJ/mol Energy+ZPE= 406.0 kJ/mol ZPE= 0.0562745 CONNECTIONS: o EQ10 o EQ50
[ TS121 ] Animation
Cs ENERGY= 487.1 kJ/mol Energy+ZPE= 467.8 kJ/mol ZPE= 0.0567657 CONNECTIONS: o EQ10 o EQ77
[ TS122 ] Animation
C1 ENERGY= 606.6 kJ/mol Energy+ZPE= 580.7 kJ/mol ZPE= 0.0542629 CONNECTIONS: o EQ10 o EQ199
[ TS123 ] Animation
C1 ENERGY= 675.1 kJ/mol Energy+ZPE= 663.8 kJ/mol ZPE= 0.0598122 CONNECTIONS: o EQ10 o EQ232
[ TS124 ] Animation
C1 ENERGY= 715.3 kJ/mol Energy+ZPE= 700.8 kJ/mol ZPE= 0.0586267 CONNECTIONS: o EQ10 o EQ238
[ TS125 ] Animation
C1 ENERGY= 735.6 kJ/mol Energy+ZPE= 723.0 kJ/mol ZPE= 0.0593215 CONNECTIONS: o EQ10 o EQ238
[ TS126 ] Animation
C1 ENERGY= 504.7 kJ/mol Energy+ZPE= 470.8 kJ/mol ZPE= 0.0512041 CONNECTIONS: o EQ10 o DDC20
[ TS127 ] Animation
C1 ENERGY= 519.0 kJ/mol Energy+ZPE= 495.0 kJ/mol ZPE= 0.0549768 CONNECTIONS: o EQ10 o DDC21
[ TS128 ] Animation
C1 ENERGY= 567.4 kJ/mol Energy+ZPE= 542.8 kJ/mol ZPE= 0.0547663 CONNECTIONS: o EQ10 o DDC22
[ TS129 ] Animation
Cs ENERGY= 502.6 kJ/mol Energy+ZPE= 483.9 kJ/mol ZPE= 0.0570177 CONNECTIONS: o EQ11 o EQ87
[ TS130 ] Animation
C1 ENERGY= 781.0 kJ/mol Energy+ZPE= 768.0 kJ/mol ZPE= 0.0591913 CONNECTIONS: o EQ11 o EQ272
[ TS131 ] Animation
C1 ENERGY= 837.7 kJ/mol Energy+ZPE= 822.7 kJ/mol ZPE= 0.0584246 CONNECTIONS: o EQ11 o EQ273
[ TS132 ] Animation
C1 ENERGY= 830.5 kJ/mol Energy+ZPE= 818.1 kJ/mol ZPE= 0.0593964 CONNECTIONS: o EQ11 o EQ274
[ TS133 ] Animation
C1 ENERGY= 797.0 kJ/mol Energy+ZPE= 782.9 kJ/mol ZPE= 0.0587437 CONNECTIONS: o EQ11 o EQ278
[ TS134 ] Animation
C1 ENERGY= 230.6 kJ/mol Energy+ZPE= 223.0 kJ/mol ZPE= 0.0612484 CONNECTIONS: o EQ12 o EQ12
[ TS135 ] Animation
Cs ENERGY= 243.4 kJ/mol Energy+ZPE= 237.7 kJ/mol ZPE= 0.0619719 CONNECTIONS: o EQ12 o EQ12
[ TS136 ] Animation
C1 ENERGY= 322.8 kJ/mol Energy+ZPE= 316.0 kJ/mol ZPE= 0.0615299 CONNECTIONS: o EQ12 o EQ13
[ TS137 ] Animation
C1 ENERGY= 215.9 kJ/mol Energy+ZPE= 210.3 kJ/mol ZPE= 0.0620069 CONNECTIONS: o EQ12 o EQ14
[ TS138 ] Animation
C1 ENERGY= 226.1 kJ/mol Energy+ZPE= 219.6 kJ/mol ZPE= 0.0616404 CONNECTIONS: o EQ12 o EQ14
[ TS139 ] Animation
Cs ENERGY= 225.6 kJ/mol Energy+ZPE= 215.3 kJ/mol ZPE= 0.0602122 CONNECTIONS: o EQ12 o EQ16
[ TS140 ] Animation
C1 ENERGY= 509.7 kJ/mol Energy+ZPE= 489.8 kJ/mol ZPE= 0.0565456 CONNECTIONS: o EQ12 o EQ78
[ TS141 ] Animation
C1 ENERGY= 441.5 kJ/mol Energy+ZPE= 430.7 kJ/mol ZPE= 0.0600033 CONNECTIONS: o EQ12 o EQ109
[ TS142 ] Animation
C1 ENERGY= 467.9 kJ/mol Energy+ZPE= 437.8 kJ/mol ZPE= 0.0526729 CONNECTIONS: o EQ12 o DDC23
[ TS143 ] Animation
C1 ENERGY= 479.2 kJ/mol Energy+ZPE= 451.3 kJ/mol ZPE= 0.0534877 CONNECTIONS: o EQ12 o DDC24
[ TS144 ] Animation
C1 ENERGY= 513.1 kJ/mol Energy+ZPE= 491.6 kJ/mol ZPE= 0.0559302 CONNECTIONS: o EQ12 o DDC25
[ TS145 ] Animation
C1 ENERGY= 585.2 kJ/mol Energy+ZPE= 548.4 kJ/mol ZPE= 0.0501182 CONNECTIONS: o EQ12 o DDC26
[ TS146 ] Animation
C1 ENERGY= 613.0 kJ/mol Energy+ZPE= 589.6 kJ/mol ZPE= 0.0552337 CONNECTIONS: o EQ12 o DDC27
[ TS147 ] Animation
Cs ENERGY= 222.4 kJ/mol Energy+ZPE= 215.3 kJ/mol ZPE= 0.0614302 CONNECTIONS: o EQ13 o EQ13
[ TS148 ] Animation
Cs ENERGY= 234.8 kJ/mol Energy+ZPE= 229.3 kJ/mol ZPE= 0.0620231 CONNECTIONS: o EQ13 o EQ13
[ TS149 ] Animation
C1 ENERGY= 205.9 kJ/mol Energy+ZPE= 201.8 kJ/mol ZPE= 0.0625594 CONNECTIONS: o EQ13 o EQ15
[ TS150 ] Animation
C1 ENERGY= 235.2 kJ/mol Energy+ZPE= 227.6 kJ/mol ZPE= 0.0612357 CONNECTIONS: o EQ13 o EQ17
[ TS151 ] Animation
C1 ENERGY= 237.1 kJ/mol Energy+ZPE= 229.4 kJ/mol ZPE= 0.0612109 CONNECTIONS: o EQ13 o EQ17
[ TS152 ] Animation
C1 ENERGY= 509.2 kJ/mol Energy+ZPE= 487.4 kJ/mol ZPE= 0.0558141 CONNECTIONS: o EQ13 o EQ24
[ TS153 ] Animation
C1 ENERGY= 512.0 kJ/mol Energy+ZPE= 491.1 kJ/mol ZPE= 0.0561631 CONNECTIONS: o EQ13 o EQ84
[ TS154 ] Animation
C1 ENERGY= 532.6 kJ/mol Energy+ZPE= 514.1 kJ/mol ZPE= 0.0570968 CONNECTIONS: o EQ13 o EQ88
[ TS155 ] Animation
C1 ENERGY= 539.8 kJ/mol Energy+ZPE= 521.0 kJ/mol ZPE= 0.0569790 CONNECTIONS: o EQ13 o EQ88
[ TS156 ] Animation
C1 ENERGY= 734.9 kJ/mol Energy+ZPE= 716.3 kJ/mol ZPE= 0.0570360 CONNECTIONS: o EQ13 o EQ188
[ TS157 ] Animation
C1 ENERGY= 530.8 kJ/mol Energy+ZPE= 499.3 kJ/mol ZPE= 0.0521326 CONNECTIONS: o EQ13 o DDC28
[ TS158 ] Animation
C1 ENERGY= 543.4 kJ/mol Energy+ZPE= 519.8 kJ/mol ZPE= 0.0551239 CONNECTIONS: o EQ13 o DDC29
[ TS159 ] Animation
C1 ENERGY= 555.7 kJ/mol Energy+ZPE= 518.8 kJ/mol ZPE= 0.0500758 CONNECTIONS: o EQ13 o DDC30
[ TS160 ] Animation
Cs ENERGY= 219.3 kJ/mol Energy+ZPE= 212.5 kJ/mol ZPE= 0.0615585 CONNECTIONS: o EQ14 o EQ14
[ TS161 ] Animation
Cs ENERGY= 236.5 kJ/mol Energy+ZPE= 232.2 kJ/mol ZPE= 0.0624868 CONNECTIONS: o EQ14 o EQ14
[ TS162 ] Animation
Cs ENERGY= 246.4 kJ/mol Energy+ZPE= 241.0 kJ/mol ZPE= 0.0620930 CONNECTIONS: o EQ14 o EQ14
[ TS163 ] Animation
C1 ENERGY= 746.7 kJ/mol Energy+ZPE= 731.8 kJ/mol ZPE= 0.0584613 CONNECTIONS: o EQ14 o EQ14
[ TS164 ] Animation
C1 ENERGY= 332.5 kJ/mol Energy+ZPE= 324.7 kJ/mol ZPE= 0.0611786 CONNECTIONS: o EQ14 o EQ17
[ TS165 ] Animation
C1 ENERGY= 588.3 kJ/mol Energy+ZPE= 569.1 kJ/mol ZPE= 0.0568028 CONNECTIONS: o EQ14 o EQ17
[ TS166 ] Animation
C1 ENERGY= 671.3 kJ/mol Energy+ZPE= 646.1 kJ/mol ZPE= 0.0545487 CONNECTIONS: o EQ14 o EQ17
[ TS167 ] Animation
C1 ENERGY= 573.6 kJ/mol Energy+ZPE= 550.9 kJ/mol ZPE= 0.0554874 CONNECTIONS: o EQ14 o EQ23
[ TS168 ] Animation
C1 ENERGY= 637.0 kJ/mol Energy+ZPE= 614.9 kJ/mol ZPE= 0.0557001 CONNECTIONS: o EQ14 o EQ63
[ TS169 ] Animation
C1 ENERGY= 487.8 kJ/mol Energy+ZPE= 470.7 kJ/mol ZPE= 0.0576112 CONNECTIONS: o EQ14 o EQ73
[ TS170 ] Animation
C1 ENERGY= 488.3 kJ/mol Energy+ZPE= 470.9 kJ/mol ZPE= 0.0575187 CONNECTIONS: o EQ14 o EQ73
[ TS171 ] Animation
C1 ENERGY= 510.1 kJ/mol Energy+ZPE= 489.9 kJ/mol ZPE= 0.0564426 CONNECTIONS: o EQ14 o EQ82
[ TS172 ] Animation
C1 ENERGY= 694.0 kJ/mol Energy+ZPE= 672.2 kJ/mol ZPE= 0.0558456 CONNECTIONS: o EQ14 o EQ107
[ TS173 ] Animation
C1 ENERGY= 458.1 kJ/mol Energy+ZPE= 446.3 kJ/mol ZPE= 0.0596510 CONNECTIONS: o EQ14 o EQ124
[ TS174 ] Animation
C1 ENERGY= 475.5 kJ/mol Energy+ZPE= 461.2 kJ/mol ZPE= 0.0586985 CONNECTIONS: o EQ14 o EQ124
[ TS175 ] Animation
C1 ENERGY= 727.3 kJ/mol Energy+ZPE= 709.3 kJ/mol ZPE= 0.0572846 CONNECTIONS: o EQ14 o EQ170
[ TS176 ] Animation
C1 ENERGY= 732.0 kJ/mol Energy+ZPE= 713.8 kJ/mol ZPE= 0.0572134 CONNECTIONS: o EQ14 o EQ170
[ TS177 ] Animation
C1 ENERGY= 691.4 kJ/mol Energy+ZPE= 676.8 kJ/mol ZPE= 0.0585556 CONNECTIONS: o EQ14 o EQ171
[ TS178 ] Animation
C1 ENERGY= 449.4 kJ/mol Energy+ZPE= 433.9 kJ/mol ZPE= 0.0582145 CONNECTIONS: o EQ14 o DDC31
[ TS179 ] Animation
C1 ENERGY= 461.3 kJ/mol Energy+ZPE= 444.5 kJ/mol ZPE= 0.0577342 CONNECTIONS: o EQ14 o DDC32
[ TS180 ] Animation
C1 ENERGY= 654.1 kJ/mol Energy+ZPE= 630.4 kJ/mol ZPE= 0.0551021 CONNECTIONS: o EQ15 o EQ21
[ TS181 ] Animation
C1 ENERGY= 513.6 kJ/mol Energy+ZPE= 494.7 kJ/mol ZPE= 0.0569272 CONNECTIONS: o EQ15 o EQ91
[ TS182 ] Animation
C1 ENERGY= 403.0 kJ/mol Energy+ZPE= 395.1 kJ/mol ZPE= 0.0611197 CONNECTIONS: o EQ15 o EQ109
[ TS183 ] Animation
Cs ENERGY= 439.2 kJ/mol Energy+ZPE= 423.4 kJ/mol ZPE= 0.0581115 CONNECTIONS: o EQ15 o EQ130
[ TS184 ] Animation
C1 ENERGY= 588.8 kJ/mol Energy+ZPE= 551.4 kJ/mol ZPE= 0.0498796 CONNECTIONS: o EQ15 o DDC33
[ TS185 ] Animation
Cs ENERGY= 231.7 kJ/mol Energy+ZPE= 231.6 kJ/mol ZPE= 0.0641067 CONNECTIONS: o EQ16 o EQ16
[ TS186 ] Animation
C1 ENERGY= 392.2 kJ/mol Energy+ZPE= 385.8 kJ/mol ZPE= 0.0617036 CONNECTIONS: o EQ16 o EQ50
[ TS187 ] Animation
C1 ENERGY= 338.2 kJ/mol Energy+ZPE= 316.2 kJ/mol ZPE= 0.0557489 CONNECTIONS: o EQ16 o DDC34
[ TS188 ] Animation
C1 ENERGY= 509.7 kJ/mol Energy+ZPE= 479.5 kJ/mol ZPE= 0.0526430 CONNECTIONS: o EQ16 o DDC35
[ TS189 ] Animation
C1 ENERGY= 510.4 kJ/mol Energy+ZPE= 481.0 kJ/mol ZPE= 0.0529371 CONNECTIONS: o EQ16 o DDC36
[ TS190 ] Animation
C1 ENERGY= 244.6 kJ/mol Energy+ZPE= 235.0 kJ/mol ZPE= 0.0604796 CONNECTIONS: o EQ17 o EQ17
[ TS191 ] Animation
Cs ENERGY= 263.1 kJ/mol Energy+ZPE= 256.0 kJ/mol ZPE= 0.0614149 CONNECTIONS: o EQ17 o EQ17
[ TS192 ] Animation
C1 ENERGY= 728.4 kJ/mol Energy+ZPE= 715.1 kJ/mol ZPE= 0.0590511 CONNECTIONS: o EQ17 o EQ17
[ TS193 ] Animation
C1 ENERGY= 229.2 kJ/mol Energy+ZPE= 223.8 kJ/mol ZPE= 0.0620651 CONNECTIONS: o EQ17 o EQ18
[ TS194 ] Animation
C1 ENERGY= 520.2 kJ/mol Energy+ZPE= 497.3 kJ/mol ZPE= 0.0553914 CONNECTIONS: o EQ17 o EQ23
[ TS195 ] Animation
C1 ENERGY= 535.8 kJ/mol Energy+ZPE= 518.4 kJ/mol ZPE= 0.0575154 CONNECTIONS: o EQ17 o EQ77
[ TS196 ] Animation
C1 ENERGY= 542.2 kJ/mol Energy+ZPE= 524.7 kJ/mol ZPE= 0.0574572 CONNECTIONS: o EQ17 o EQ77
[ TS197 ] Animation
C1 ENERGY= 524.8 kJ/mol Energy+ZPE= 502.4 kJ/mol ZPE= 0.0556111 CONNECTIONS: o EQ17 o EQ84
[ TS198 ] Animation
C1 ENERGY= 697.8 kJ/mol Energy+ZPE= 681.1 kJ/mol ZPE= 0.0577664 CONNECTIONS: o EQ17 o EQ170
[ TS199 ] Animation
C1 ENERGY= 717.1 kJ/mol Energy+ZPE= 699.3 kJ/mol ZPE= 0.0573539 CONNECTIONS: o EQ17 o EQ174
[ TS200 ] Animation
C1 ENERGY= 726.2 kJ/mol Energy+ZPE= 707.3 kJ/mol ZPE= 0.0569372 CONNECTIONS: o EQ17 o EQ177
[ TS201 ] Animation
C1 ENERGY= 521.5 kJ/mol Energy+ZPE= 491.3 kJ/mol ZPE= 0.0526155 CONNECTIONS: o EQ17 o DDC37
[ TS202 ] Animation
C1 ENERGY= 577.0 kJ/mol Energy+ZPE= 542.6 kJ/mol ZPE= 0.0510232 CONNECTIONS: o EQ17 o DDC38
[ TS203 ] Animation
C1 ENERGY= 523.7 kJ/mol Energy+ZPE= 504.0 kJ/mol ZPE= 0.0566154 CONNECTIONS: o EQ18 o EQ91
[ TS204 ] Animation
C1 ENERGY= 423.8 kJ/mol Energy+ZPE= 414.9 kJ/mol ZPE= 0.0607438 CONNECTIONS: o EQ18 o EQ124
[ TS205 ] Animation
Cs ENERGY= 444.7 kJ/mol Energy+ZPE= 429.4 kJ/mol ZPE= 0.0583047 CONNECTIONS: o EQ18 o EQ134
[ TS206 ] Animation
C1 ENERGY= 601.7 kJ/mol Energy+ZPE= 562.9 kJ/mol ZPE= 0.0493451 CONNECTIONS: o EQ18 o DDC39
[ TS207 ] Animation
Cs ENERGY= 232.0 kJ/mol Energy+ZPE= 225.5 kJ/mol ZPE= 0.0616533 CONNECTIONS: o EQ19 o EQ19
[ TS208 ] Animation
Cs ENERGY= 266.5 kJ/mol Energy+ZPE= 261.2 kJ/mol ZPE= 0.0621070 CONNECTIONS: o EQ19 o EQ19
[ TS209 ] Animation
Cs ENERGY= 269.1 kJ/mol Energy+ZPE= 263.2 kJ/mol ZPE= 0.0618783 CONNECTIONS: o EQ19 o EQ19
[ TS210 ] Animation
Cs ENERGY= 283.5 kJ/mol Energy+ZPE= 277.2 kJ/mol ZPE= 0.0617142 CONNECTIONS: o EQ19 o EQ19
[ TS211 ] Animation
C1 ENERGY= 453.2 kJ/mol Energy+ZPE= 441.8 kJ/mol ZPE= 0.0598024 CONNECTIONS: o EQ19 o EQ21
[ TS212 ] Animation
C1 ENERGY= 679.6 kJ/mol Energy+ZPE= 656.9 kJ/mol ZPE= 0.0554731 CONNECTIONS: o EQ19 o EQ21
[ TS213 ] Animation
C1 ENERGY= 448.5 kJ/mol Energy+ZPE= 437.0 kJ/mol ZPE= 0.0597574 CONNECTIONS: o EQ19 o EQ27
[ TS214 ] Animation
C1 ENERGY= 714.5 kJ/mol Energy+ZPE= 695.7 kJ/mol ZPE= 0.0569813 CONNECTIONS: o EQ19 o EQ27
[ TS215 ] Animation
C1 ENERGY= 524.8 kJ/mol Energy+ZPE= 500.4 kJ/mol ZPE= 0.0548371 CONNECTIONS: o EQ19 o EQ34
[ TS216 ] Animation
C1 ENERGY= 602.8 kJ/mol Energy+ZPE= 583.1 kJ/mol ZPE= 0.0566308 CONNECTIONS: o EQ19 o EQ36
[ TS217 ] Animation
C1 ENERGY= 458.2 kJ/mol Energy+ZPE= 439.4 kJ/mol ZPE= 0.0569803 CONNECTIONS: o EQ19 o EQ38
[ TS218 ] Animation
C1 ENERGY= 555.7 kJ/mol Energy+ZPE= 534.5 kJ/mol ZPE= 0.0560648 CONNECTIONS: o EQ19 o EQ60
[ TS219 ] Animation
C1 ENERGY= 571.2 kJ/mol Energy+ZPE= 552.6 kJ/mol ZPE= 0.0570656 CONNECTIONS: o EQ19 o EQ60
[ TS220 ] Animation
C1 ENERGY= 618.3 kJ/mol Energy+ZPE= 596.0 kJ/mol ZPE= 0.0556312 CONNECTIONS: o EQ19 o EQ66
[ TS221 ] Animation
C1 ENERGY= 619.9 kJ/mol Energy+ZPE= 598.0 kJ/mol ZPE= 0.0557969 CONNECTIONS: o EQ19 o EQ79
[ TS222 ] Animation
C1 ENERGY= 507.9 kJ/mol Energy+ZPE= 487.6 kJ/mol ZPE= 0.0563851 CONNECTIONS: o EQ19 o EQ95
[ TS223 ] Animation
C1 ENERGY= 616.5 kJ/mol Energy+ZPE= 606.9 kJ/mol ZPE= 0.0604934 CONNECTIONS: o EQ19 o EQ141
[ TS224 ] Animation
C1 ENERGY= 491.1 kJ/mol Energy+ZPE= 474.8 kJ/mol ZPE= 0.0579047 CONNECTIONS: o EQ19 o EQ153
[ TS225 ] Animation
C1 ENERGY= 502.5 kJ/mol Energy+ZPE= 485.5 kJ/mol ZPE= 0.0576600 CONNECTIONS: o EQ19 o EQ158
[ TS226 ] Animation
C1 ENERGY= 570.8 kJ/mol Energy+ZPE= 554.9 kJ/mol ZPE= 0.0580732 CONNECTIONS: o EQ19 o EQ167
[ TS227 ] Animation
C1 ENERGY= 633.9 kJ/mol Energy+ZPE= 620.3 kJ/mol ZPE= 0.0589473 CONNECTIONS: o EQ19 o EQ228
[ TS228 ] Animation
C1 ENERGY= 660.0 kJ/mol Energy+ZPE= 646.9 kJ/mol ZPE= 0.0591232 CONNECTIONS: o EQ19 o EQ234
[ TS229 ] Animation
C1 ENERGY= 609.1 kJ/mol Energy+ZPE= 585.9 kJ/mol ZPE= 0.0553006 CONNECTIONS: o EQ19 o DDC40
[ TS230 ] Animation
Cs ENERGY= 448.2 kJ/mol Energy+ZPE= 433.7 kJ/mol ZPE= 0.0586256 CONNECTIONS: o EQ20 o EQ22
[ TS231 ] Animation
C1 ENERGY= 271.0 kJ/mol Energy+ZPE= 265.0 kJ/mol ZPE= 0.0618565 CONNECTIONS: o EQ20 o EQ23
[ TS232 ] Animation
C1 ENERGY= 261.4 kJ/mol Energy+ZPE= 256.5 kJ/mol ZPE= 0.0622570 CONNECTIONS: o EQ20 o EQ24
[ TS233 ] Animation
C1 ENERGY= 269.2 kJ/mol Energy+ZPE= 261.8 kJ/mol ZPE= 0.0613150 CONNECTIONS: o EQ20 o EQ32
[ TS234 ] Animation
C1 ENERGY= 430.3 kJ/mol Energy+ZPE= 416.4 kJ/mol ZPE= 0.0588192 CONNECTIONS: o EQ20 o EQ33
[ TS235 ] Animation
C1 ENERGY= 446.7 kJ/mol Energy+ZPE= 427.3 kJ/mol ZPE= 0.0567299 CONNECTIONS: o EQ20 o EQ61
[ TS236 ] Animation
C1 ENERGY= 630.1 kJ/mol Energy+ZPE= 611.8 kJ/mol ZPE= 0.0571723 CONNECTIONS: o EQ20 o EQ83
[ TS237 ] Animation
C1 ENERGY= 605.6 kJ/mol Energy+ZPE= 587.8 kJ/mol ZPE= 0.0573357 CONNECTIONS: o EQ20 o EQ86
[ TS238 ] Animation
C1 ENERGY= 612.3 kJ/mol Energy+ZPE= 595.9 kJ/mol ZPE= 0.0578868 CONNECTIONS: o EQ20 o EQ94
[ TS239 ] Animation
C1 ENERGY= 542.9 kJ/mol Energy+ZPE= 514.7 kJ/mol ZPE= 0.0533844 CONNECTIONS: o EQ20 o EQ164
[ TS240 ] Animation
C1 ENERGY= 620.2 kJ/mol Energy+ZPE= 612.0 kJ/mol ZPE= 0.0610198 CONNECTIONS: o EQ20 o EQ223
[ TS241 ] Animation
C1 ENERGY= 522.8 kJ/mol Energy+ZPE= 499.1 kJ/mol ZPE= 0.0551061 CONNECTIONS: o EQ20 o DDC41
[ TS242 ] Animation
C1 ENERGY= 538.6 kJ/mol Energy+ZPE= 514.3 kJ/mol ZPE= 0.0548789 CONNECTIONS: o EQ20 o DDC42
[ TS243 ] Animation
C1 ENERGY= 563.9 kJ/mol Energy+ZPE= 537.7 kJ/mol ZPE= 0.0541364 CONNECTIONS: o EQ20 o DDC43
[ TS244 ] Animation
C1 ENERGY= 568.7 kJ/mol Energy+ZPE= 539.5 kJ/mol ZPE= 0.0530214 CONNECTIONS: o EQ20 o DDC44
[ TS245 ] Animation
C1 ENERGY= 617.6 kJ/mol Energy+ZPE= 585.9 kJ/mol ZPE= 0.0520551 CONNECTIONS: o EQ20 o DDC45
[ TS246 ] Animation
Cs ENERGY= 248.6 kJ/mol Energy+ZPE= 240.2 kJ/mol ZPE= 0.0609189 CONNECTIONS: o EQ21 o EQ21
[ TS247 ] Animation
Cs ENERGY= 275.8 kJ/mol Energy+ZPE= 268.5 kJ/mol ZPE= 0.0613607 CONNECTIONS: o EQ21 o EQ21
[ TS248 ] Animation
Cs ENERGY= 279.6 kJ/mol Energy+ZPE= 272.1 kJ/mol ZPE= 0.0612589 CONNECTIONS: o EQ21 o EQ21
[ TS249 ] Animation
C1 ENERGY= 549.1 kJ/mol Energy+ZPE= 538.8 kJ/mol ZPE= 0.0602048 CONNECTIONS: o EQ21 o EQ21
[ TS250 ] Animation
C1 ENERGY= 269.4 kJ/mol Energy+ZPE= 261.5 kJ/mol ZPE= 0.0611091 CONNECTIONS: o EQ21 o EQ27
[ TS251 ] Animation
C1 ENERGY= 271.5 kJ/mol Energy+ZPE= 263.3 kJ/mol ZPE= 0.0610056 CONNECTIONS: o EQ21 o EQ27
[ TS252 ] Animation
C1 ENERGY= 699.3 kJ/mol Energy+ZPE= 682.2 kJ/mol ZPE= 0.0576056 CONNECTIONS: o EQ21 o EQ27
[ TS253 ] Animation
C1 ENERGY= 456.8 kJ/mol Energy+ZPE= 437.2 kJ/mol ZPE= 0.0566474 CONNECTIONS: o EQ21 o EQ37
[ TS254 ] Animation
C1 ENERGY= 599.7 kJ/mol Energy+ZPE= 578.8 kJ/mol ZPE= 0.0561685 CONNECTIONS: o EQ21 o EQ44
[ TS255 ] Animation
C1 ENERGY= 470.5 kJ/mol Energy+ZPE= 449.2 kJ/mol ZPE= 0.0560272 CONNECTIONS: o EQ21 o EQ48
[ TS256 ] Animation
C1 ENERGY= 486.7 kJ/mol Energy+ZPE= 465.8 kJ/mol ZPE= 0.0561855 CONNECTIONS: o EQ21 o EQ62
[ TS257 ] Animation
C1 ENERGY= 544.6 kJ/mol Energy+ZPE= 526.3 kJ/mol ZPE= 0.0571427 CONNECTIONS: o EQ21 o EQ64
[ TS258 ] Animation
C1 ENERGY= 538.9 kJ/mol Energy+ZPE= 520.4 kJ/mol ZPE= 0.0570868 CONNECTIONS: o EQ21 o EQ68
[ TS259 ] Animation
C1 ENERGY= 546.2 kJ/mol Energy+ZPE= 526.4 kJ/mol ZPE= 0.0565993 CONNECTIONS: o EQ21 o EQ72
[ TS260 ] Animation
C1 ENERGY= 575.4 kJ/mol Energy+ZPE= 555.0 kJ/mol ZPE= 0.0563751 CONNECTIONS: o EQ21 o EQ105
[ TS261 ] Animation
C1 ENERGY= 536.0 kJ/mol Energy+ZPE= 524.7 kJ/mol ZPE= 0.0598420 CONNECTIONS: o EQ21 o EQ109
[ TS262 ] Animation
C1 ENERGY= 541.6 kJ/mol Energy+ZPE= 529.5 kJ/mol ZPE= 0.0595268 CONNECTIONS: o EQ21 o EQ109
[ TS263 ] Animation
C1 ENERGY= 552.8 kJ/mol Energy+ZPE= 540.2 kJ/mol ZPE= 0.0593453 CONNECTIONS: o EQ21 o EQ124
[ TS264 ] Animation
C1 ENERGY= 554.5 kJ/mol Energy+ZPE= 542.1 kJ/mol ZPE= 0.0594094 CONNECTIONS: o EQ21 o EQ124
[ TS265 ] Animation
C1 ENERGY= 615.1 kJ/mol Energy+ZPE= 591.3 kJ/mol ZPE= 0.0550826 CONNECTIONS: o EQ21 o EQ159
[ TS266 ] Animation
Cs ENERGY= 799.1 kJ/mol Energy+ZPE= 775.5 kJ/mol ZPE= 0.0551480 CONNECTIONS: o EQ21 o EQ171
[ TS267 ] Animation
C1 ENERGY= 635.8 kJ/mol Energy+ZPE= 621.9 kJ/mol ZPE= 0.0588247 CONNECTIONS: o EQ21 o EQ231
[ TS268 ] Animation
C1 ENERGY= 664.5 kJ/mol Energy+ZPE= 651.1 kJ/mol ZPE= 0.0590172 CONNECTIONS: o EQ21 o EQ234
[ TS269 ] Animation
C1 ENERGY= 649.8 kJ/mol Energy+ZPE= 633.5 kJ/mol ZPE= 0.0579203 CONNECTIONS: o EQ21 o DDC46
[ TS270 ] Animation
Cs ENERGY= 263.9 kJ/mol Energy+ZPE= 256.7 kJ/mol ZPE= 0.0613712 CONNECTIONS: o EQ22 o EQ22
[ TS271 ] Animation
Cs ENERGY= 283.6 kJ/mol Energy+ZPE= 273.3 kJ/mol ZPE= 0.0602023 CONNECTIONS: o EQ22 o EQ22
[ TS272 ] Animation
Cs ENERGY= 439.6 kJ/mol Energy+ZPE= 424.1 kJ/mol ZPE= 0.0582380 CONNECTIONS: o EQ22 o EQ31
[ TS273 ] Animation
C1 ENERGY= 278.5 kJ/mol Energy+ZPE= 271.6 kJ/mol ZPE= 0.0615050 CONNECTIONS: o EQ22 o EQ33
[ TS274 ] Animation
C1 ENERGY= 289.2 kJ/mol Energy+ZPE= 280.9 kJ/mol ZPE= 0.0609858 CONNECTIONS: o EQ22 o EQ35
[ TS275 ] Animation
C1 ENERGY= 505.4 kJ/mol Energy+ZPE= 484.0 kJ/mol ZPE= 0.0559830 CONNECTIONS: o EQ22 o EQ81
[ TS276 ] Animation
C1 ENERGY= 508.5 kJ/mol Energy+ZPE= 488.5 kJ/mol ZPE= 0.0564946 CONNECTIONS: o EQ22 o EQ82
[ TS277 ] Animation
Cs ENERGY= 384.0 kJ/mol Energy+ZPE= 350.2 kJ/mol ZPE= 0.0512541 CONNECTIONS: o EQ22 o DDC47
[ TS278 ] Animation
C1 ENERGY= 440.1 kJ/mol Energy+ZPE= 418.5 kJ/mol ZPE= 0.0559070 CONNECTIONS: o EQ22 o DDC48
[ TS279 ] Animation
C1 ENERGY= 492.8 kJ/mol Energy+ZPE= 469.6 kJ/mol ZPE= 0.0553062 CONNECTIONS: o EQ22 o DDC49
[ TS280 ] Animation
C1 ENERGY= 540.7 kJ/mol Energy+ZPE= 515.1 kJ/mol ZPE= 0.0543985 CONNECTIONS: o EQ22 o DDC50
[ TS281 ] Animation
C1 ENERGY= 627.6 kJ/mol Energy+ZPE= 595.4 kJ/mol ZPE= 0.0518618 CONNECTIONS: o EQ22 o DDC51
[ TS282 ] Animation
C1 ENERGY= 630.5 kJ/mol Energy+ZPE= 597.1 kJ/mol ZPE= 0.0513982 CONNECTIONS: o EQ22 o DDC52
[ TS283 ] Animation
C1 ENERGY= 259.5 kJ/mol Energy+ZPE= 251.1 kJ/mol ZPE= 0.0609465 CONNECTIONS: o EQ23 o EQ23
[ TS284 ] Animation
C1 ENERGY= 257.3 kJ/mol Energy+ZPE= 250.6 kJ/mol ZPE= 0.0615727 CONNECTIONS: o EQ23 o EQ24
[ TS285 ] Animation
C1 ENERGY= 268.6 kJ/mol Energy+ZPE= 261.1 kJ/mol ZPE= 0.0612920 CONNECTIONS: o EQ23 o EQ31
[ TS286 ] Animation
C1 ENERGY= 282.0 kJ/mol Energy+ZPE= 274.1 kJ/mol ZPE= 0.0611365 CONNECTIONS: o EQ23 o EQ32
[ TS287 ] Animation
C1 ENERGY= 471.0 kJ/mol Energy+ZPE= 455.8 kJ/mol ZPE= 0.0583472 CONNECTIONS: o EQ23 o EQ33
[ TS288 ] Animation
C1 ENERGY= 616.7 kJ/mol Energy+ZPE= 600.4 kJ/mol ZPE= 0.0579084 CONNECTIONS: o EQ23 o EQ69
[ TS289 ] Animation
C1 ENERGY= 517.4 kJ/mol Energy+ZPE= 498.0 kJ/mol ZPE= 0.0567501 CONNECTIONS: o EQ23 o EQ83
[ TS290 ] Animation
C1 ENERGY= 571.8 kJ/mol Energy+ZPE= 549.4 kJ/mol ZPE= 0.0556017 CONNECTIONS: o EQ23 o EQ83
[ TS291 ] Animation
C1 ENERGY= 523.0 kJ/mol Energy+ZPE= 502.0 kJ/mol ZPE= 0.0561318 CONNECTIONS: o EQ23 o EQ91
[ TS292 ] Animation
C1 ENERGY= 685.2 kJ/mol Energy+ZPE= 665.7 kJ/mol ZPE= 0.0567032 CONNECTIONS: o EQ23 o EQ125
[ TS293 ] Animation
C1 ENERGY= 697.8 kJ/mol Energy+ZPE= 678.5 kJ/mol ZPE= 0.0567681 CONNECTIONS: o EQ23 o EQ127
[ TS294 ] Animation
C1 ENERGY= 606.8 kJ/mol Energy+ZPE= 588.7 kJ/mol ZPE= 0.0572377 CONNECTIONS: o EQ23 o EQ136
[ TS295 ] Animation
C1 ENERGY= 438.1 kJ/mol Energy+ZPE= 420.2 kJ/mol ZPE= 0.0572995 CONNECTIONS: o EQ23 o DDC53
[ TS296 ] Animation
C1 ENERGY= 561.9 kJ/mol Energy+ZPE= 535.6 kJ/mol ZPE= 0.0541269 CONNECTIONS: o EQ23 o DDC54
[ TS297 ] Animation
C1 ENERGY= 562.4 kJ/mol Energy+ZPE= 532.8 kJ/mol ZPE= 0.0528696 CONNECTIONS: o EQ23 o DDC55
[ TS298 ] Animation
C1 ENERGY= 643.1 kJ/mol Energy+ZPE= 624.2 kJ/mol ZPE= 0.0569320 CONNECTIONS: o EQ24 o EQ69
[ TS299 ] Animation
C1 ENERGY= 566.1 kJ/mol Energy+ZPE= 544.6 kJ/mol ZPE= 0.0559356 CONNECTIONS: o EQ24 o EQ83
[ TS300 ] Animation
C1 ENERGY= 599.8 kJ/mol Energy+ZPE= 582.5 kJ/mol ZPE= 0.0575279 CONNECTIONS: o EQ24 o EQ136
[ TS301 ] Animation
C1 ENERGY= 626.6 kJ/mol Energy+ZPE= 606.7 kJ/mol ZPE= 0.0565628 CONNECTIONS: o EQ24 o EQ136
[ TS302 ] Animation
Cs ENERGY= 658.8 kJ/mol Energy+ZPE= 632.0 kJ/mol ZPE= 0.0539223 CONNECTIONS: o EQ25 o EQ25
[ TS303 ] Animation
C1 ENERGY= 365.7 kJ/mol Energy+ZPE= 354.9 kJ/mol ZPE= 0.0600125 CONNECTIONS: o EQ25 o EQ26
[ TS304 ] Animation
C1 ENERGY= 855.7 kJ/mol Energy+ZPE= 839.0 kJ/mol ZPE= 0.0577609 CONNECTIONS: o EQ25 o EQ26
[ TS305 ] Animation
C1 ENERGY= 308.5 kJ/mol Energy+ZPE= 302.4 kJ/mol ZPE= 0.0618216 CONNECTIONS: o EQ25 o EQ29
[ TS306 ] Animation
C1 ENERGY= 294.9 kJ/mol Energy+ZPE= 289.6 kJ/mol ZPE= 0.0620977 CONNECTIONS: o EQ25 o EQ43
[ TS307 ] Animation
Cs ENERGY= 317.2 kJ/mol Energy+ZPE= 310.1 kJ/mol ZPE= 0.0614342 CONNECTIONS: o EQ25 o EQ43
[ TS308 ] Animation
C1 ENERGY= 582.0 kJ/mol Energy+ZPE= 560.6 kJ/mol ZPE= 0.0559966 CONNECTIONS: o EQ25 o EQ99
[ TS309 ] Animation
Cs ENERGY= 409.1 kJ/mol Energy+ZPE= 395.7 kJ/mol ZPE= 0.0590105 CONNECTIONS: o EQ25 o EQ116
[ TS310 ] Animation
C1 ENERGY= 611.8 kJ/mol Energy+ZPE= 589.8 kJ/mol ZPE= 0.0557600 CONNECTIONS: o EQ25 o EQ209
[ TS311 ] Animation
C1 ENERGY= 771.9 kJ/mol Energy+ZPE= 761.3 kJ/mol ZPE= 0.0600871 CONNECTIONS: o EQ25 o EQ272
[ TS312 ] Animation
C1 ENERGY= 814.6 kJ/mol Energy+ZPE= 800.5 kJ/mol ZPE= 0.0587568 CONNECTIONS: o EQ25 o EQ273
[ TS313 ] Animation
C1 ENERGY= 786.5 kJ/mol Energy+ZPE= 773.2 kJ/mol ZPE= 0.0590790 CONNECTIONS: o EQ25 o EQ277
[ TS314 ] Animation
C1 ENERGY= 846.4 kJ/mol Energy+ZPE= 830.6 kJ/mol ZPE= 0.0581136 CONNECTIONS: o EQ25 o EQ280
[ TS315 ] Animation
C1 ENERGY= 828.7 kJ/mol Energy+ZPE= 807.5 kJ/mol ZPE= 0.0560631 CONNECTIONS: o EQ25 o EQ282
[ TS316 ] Animation
C1 ENERGY= 579.9 kJ/mol Energy+ZPE= 558.7 kJ/mol ZPE= 0.0560748 CONNECTIONS: o EQ25 o DDC56
[ TS317 ] Animation
Cs ENERGY= 320.0 kJ/mol Energy+ZPE= 313.4 kJ/mol ZPE= 0.0616292 CONNECTIONS: o EQ26 o EQ26
[ TS318 ] Animation
C1 ENERGY= 451.5 kJ/mol Energy+ZPE= 437.6 kJ/mol ZPE= 0.0588392 CONNECTIONS: o EQ26 o EQ26
[ TS319 ] Animation
Cs ENERGY= 579.1 kJ/mol Energy+ZPE= 557.1 kJ/mol ZPE= 0.0557552 CONNECTIONS: o EQ26 o EQ26
[ TS320 ] Animation
C1 ENERGY= 655.0 kJ/mol Energy+ZPE= 633.9 kJ/mol ZPE= 0.0560980 CONNECTIONS: o EQ26 o EQ26
[ TS321 ] Animation
C1 ENERGY= 310.4 kJ/mol Energy+ZPE= 304.6 kJ/mol ZPE= 0.0619203 CONNECTIONS: o EQ26 o EQ39
[ TS322 ] Animation
C1 ENERGY= 320.6 kJ/mol Energy+ZPE= 314.6 kJ/mol ZPE= 0.0618603 CONNECTIONS: o EQ26 o EQ57
[ TS323 ] Animation
C1 ENERGY= 497.1 kJ/mol Energy+ZPE= 484.4 kJ/mol ZPE= 0.0592902 CONNECTIONS: o EQ26 o EQ67
[ TS324 ] Animation
C1 ENERGY= 606.7 kJ/mol Energy+ZPE= 588.3 kJ/mol ZPE= 0.0571220 CONNECTIONS: o EQ26 o EQ99
[ TS325 ] Animation
C1 ENERGY= 400.8 kJ/mol Energy+ZPE= 385.0 kJ/mol ZPE= 0.0581173 CONNECTIONS: o EQ26 o EQ112
[ TS326 ] Animation
C1 ENERGY= 533.9 kJ/mol Energy+ZPE= 518.9 kJ/mol ZPE= 0.0584327 CONNECTIONS: o EQ26 o EQ139
[ TS327 ] Animation
C1 ENERGY= 605.6 kJ/mol Energy+ZPE= 582.9 kJ/mol ZPE= 0.0554832 CONNECTIONS: o EQ26 o EQ208
[ TS328 ] Animation
C1 ENERGY= 617.7 kJ/mol Energy+ZPE= 598.0 kJ/mol ZPE= 0.0566236 CONNECTIONS: o EQ26 o EQ214
[ TS329 ] Animation
C1 ENERGY= 695.3 kJ/mol Energy+ZPE= 681.9 kJ/mol ZPE= 0.0590331 CONNECTIONS: o EQ26 o EQ223
[ TS330 ] Animation
C1 ENERGY= 716.8 kJ/mol Energy+ZPE= 703.3 kJ/mol ZPE= 0.0590073 CONNECTIONS: o EQ26 o EQ243
[ TS331 ] Animation
C1 ENERGY= 725.8 kJ/mol Energy+ZPE= 709.5 kJ/mol ZPE= 0.0579317 CONNECTIONS: o EQ26 o EQ248
[ TS332 ] Animation
C1 ENERGY= 758.7 kJ/mol Energy+ZPE= 747.7 kJ/mol ZPE= 0.0599494 CONNECTIONS: o EQ26 o EQ252
[ TS333 ] Animation
C1 ENERGY= 787.9 kJ/mol Energy+ZPE= 774.2 kJ/mol ZPE= 0.0589105 CONNECTIONS: o EQ26 o EQ254
[ TS334 ] Animation
C1 ENERGY= 772.9 kJ/mol Energy+ZPE= 761.7 kJ/mol ZPE= 0.0598746 CONNECTIONS: o EQ26 o EQ257
[ TS335 ] Animation
C1 ENERGY= 829.6 kJ/mol Energy+ZPE= 814.1 kJ/mol ZPE= 0.0582246 CONNECTIONS: o EQ26 o EQ274
[ TS336 ] Animation
C1 ENERGY= 792.4 kJ/mol Energy+ZPE= 776.8 kJ/mol ZPE= 0.0582066 CONNECTIONS: o EQ26 o EQ276
[ TS337 ] Animation
C1 ENERGY= 793.3 kJ/mol Energy+ZPE= 779.5 kJ/mol ZPE= 0.0588906 CONNECTIONS: o EQ26 o EQ278
[ TS338 ] Animation
C1 ENERGY= 812.1 kJ/mol Energy+ZPE= 795.9 kJ/mol ZPE= 0.0579546 CONNECTIONS: o EQ26 o EQ280
[ TS339 ] Animation
C1 ENERGY= 852.9 kJ/mol Energy+ZPE= 831.7 kJ/mol ZPE= 0.0560720 CONNECTIONS: o EQ26 o EQ284
[ TS340 ] Animation
C1 ENERGY= 987.4 kJ/mol Energy+ZPE= 961.2 kJ/mol ZPE= 0.0541409 CONNECTIONS: o EQ26 o EQ294
[ TS341 ] Animation
C1 ENERGY= 1031.5 kJ/mol Energy+ZPE= 1001.3 kJ/mol ZPE= 0.0526374 CONNECTIONS: o EQ26 o EQ300
[ TS342 ] Animation
C1 ENERGY= 574.6 kJ/mol Energy+ZPE= 554.1 kJ/mol ZPE= 0.0563202 CONNECTIONS: o EQ26 o DDC57
[ TS343 ] Animation
C1 ENERGY= 588.7 kJ/mol Energy+ZPE= 569.8 kJ/mol ZPE= 0.0569389 CONNECTIONS: o EQ26 o DDC58
[ TS344 ] Animation
C1 ENERGY= 655.9 kJ/mol Energy+ZPE= 634.4 kJ/mol ZPE= 0.0559565 CONNECTIONS: o EQ26 o DDC59
[ TS345 ] Animation
C1 ENERGY= 695.9 kJ/mol Energy+ZPE= 676.0 kJ/mol ZPE= 0.0565546 CONNECTIONS: o EQ26 o DDC60
[ TS346 ] Animation
C1 ENERGY= 850.0 kJ/mol Energy+ZPE= 834.0 kJ/mol ZPE= 0.0580341 CONNECTIONS: o EQ26 o DDC61
[ TS347 ] Animation
Cs ENERGY= 272.5 kJ/mol Energy+ZPE= 262.6 kJ/mol ZPE= 0.0603650 CONNECTIONS: o EQ27 o EQ27
[ TS348 ] Animation
Cs ENERGY= 292.3 kJ/mol Energy+ZPE= 284.1 kJ/mol ZPE= 0.0610100 CONNECTIONS: o EQ27 o EQ27
[ TS349 ] Animation
Cs ENERGY= 299.7 kJ/mol Energy+ZPE= 290.8 kJ/mol ZPE= 0.0607451 CONNECTIONS: o EQ27 o EQ27
[ TS350 ] Animation
C1 ENERGY= 560.3 kJ/mol Energy+ZPE= 537.0 kJ/mol ZPE= 0.0552688 CONNECTIONS: o EQ27 o EQ66
[ TS351 ] Animation
C1 ENERGY= 562.7 kJ/mol Energy+ZPE= 539.5 kJ/mol ZPE= 0.0552918 CONNECTIONS: o EQ27 o EQ79
[ TS352 ] Animation
C1 ENERGY= 569.9 kJ/mol Energy+ZPE= 548.8 kJ/mol ZPE= 0.0561114 CONNECTIONS: o EQ27 o EQ105
[ TS353 ] Animation
C1 ENERGY= 613.7 kJ/mol Energy+ZPE= 590.2 kJ/mol ZPE= 0.0551695 CONNECTIONS: o EQ27 o EQ154
[ TS354 ] Animation
C1 ENERGY= 707.4 kJ/mol Energy+ZPE= 689.1 kJ/mol ZPE= 0.0571778 CONNECTIONS: o EQ27 o EQ171
[ TS355 ] Animation
C1 ENERGY= 709.6 kJ/mol Energy+ZPE= 691.9 kJ/mol ZPE= 0.0573990 CONNECTIONS: o EQ27 o EQ171
[ TS356 ] Animation
C1 ENERGY= 635.6 kJ/mol Energy+ZPE= 621.4 kJ/mol ZPE= 0.0587055 CONNECTIONS: o EQ27 o EQ228
[ TS357 ] Animation
C1 ENERGY= 652.9 kJ/mol Energy+ZPE= 639.4 kJ/mol ZPE= 0.0589816 CONNECTIONS: o EQ27 o EQ231
[ TS358 ] Animation
C1 ENERGY= 883.4 kJ/mol Energy+ZPE= 868.7 kJ/mol ZPE= 0.0585370 CONNECTIONS: o EQ27 o EQ283
[ TS359 ] Animation
Cs ENERGY= 513.9 kJ/mol Energy+ZPE= 483.1 kJ/mol ZPE= 0.0524026 CONNECTIONS: o EQ27 o DDC62
[ TS360 ] Animation
C1 ENERGY= 708.9 kJ/mol Energy+ZPE= 668.2 kJ/mol ZPE= 0.0486116 CONNECTIONS: o EQ27 o DDC63
[ TS361 ] Animation
C1 ENERGY= 267.9 kJ/mol Energy+ZPE= 260.9 kJ/mol ZPE= 0.0614782 CONNECTIONS: o EQ28 o EQ28
[ TS362 ] Animation
C1 ENERGY= 367.2 kJ/mol Energy+ZPE= 357.2 kJ/mol ZPE= 0.0603236 CONNECTIONS: o EQ28 o EQ30
[ TS363 ] Animation
C1 ENERGY= 375.4 kJ/mol Energy+ZPE= 365.0 kJ/mol ZPE= 0.0601763 CONNECTIONS: o EQ28 o EQ30
[ TS364 ] Animation
C1 ENERGY= 495.6 kJ/mol Energy+ZPE= 481.0 kJ/mol ZPE= 0.0585607 CONNECTIONS: o EQ28 o EQ53
[ TS365 ] Animation
C1 ENERGY= 524.5 kJ/mol Energy+ZPE= 502.4 kJ/mol ZPE= 0.0557046 CONNECTIONS: o EQ28 o EQ55
[ TS366 ] Animation
C1 ENERGY= 599.2 kJ/mol Energy+ZPE= 584.5 kJ/mol ZPE= 0.0585301 CONNECTIONS: o EQ28 o EQ70
[ TS367 ] Animation
C1 ENERGY= 674.9 kJ/mol Energy+ZPE= 647.3 kJ/mol ZPE= 0.0536363 CONNECTIONS: o EQ28 o EQ80
[ TS368 ] Animation
C1 ENERGY= 461.0 kJ/mol Energy+ZPE= 445.5 kJ/mol ZPE= 0.0582409 CONNECTIONS: o EQ28 o EQ126
[ TS369 ] Animation
C1 ENERGY= 638.3 kJ/mol Energy+ZPE= 614.6 kJ/mol ZPE= 0.0551166 CONNECTIONS: o EQ28 o EQ144
[ TS370 ] Animation
C1 ENERGY= 709.9 kJ/mol Energy+ZPE= 695.6 kJ/mol ZPE= 0.0586822 CONNECTIONS: o EQ28 o EQ233
[ TS371 ] Animation
C1 ENERGY= 520.0 kJ/mol Energy+ZPE= 494.7 kJ/mol ZPE= 0.0544871 CONNECTIONS: o EQ28 o DDC64
[ TS372 ] Animation
C1 ENERGY= 561.7 kJ/mol Energy+ZPE= 537.5 kJ/mol ZPE= 0.0549124 CONNECTIONS: o EQ28 o DDC65
[ TS373 ] Animation
C1 ENERGY= 662.5 kJ/mol Energy+ZPE= 628.2 kJ/mol ZPE= 0.0510812 CONNECTIONS: o EQ28 o DDC66
[ TS374 ] Animation
Cs ENERGY= 716.2 kJ/mol Energy+ZPE= 680.9 kJ/mol ZPE= 0.0506688 CONNECTIONS: o EQ28 o DDC67
[ TS375 ] Animation
Cs ENERGY= 370.4 kJ/mol Energy+ZPE= 359.0 kJ/mol ZPE= 0.0597748 CONNECTIONS: o EQ29 o EQ39
[ TS376 ] Animation
C1 ENERGY= 294.4 kJ/mol Energy+ZPE= 288.4 kJ/mol ZPE= 0.0618308 CONNECTIONS: o EQ29 o EQ47
[ TS377 ] Animation
Cs ENERGY= 323.3 kJ/mol Energy+ZPE= 315.1 kJ/mol ZPE= 0.0610102 CONNECTIONS: o EQ29 o EQ47
[ TS378 ] Animation
C1 ENERGY= 596.7 kJ/mol Energy+ZPE= 578.7 kJ/mol ZPE= 0.0572737 CONNECTIONS: o EQ29 o EQ68
[ TS379 ] Animation
C1 ENERGY= 596.6 kJ/mol Energy+ZPE= 574.5 kJ/mol ZPE= 0.0557162 CONNECTIONS: o EQ29 o EQ106
[ TS380 ] Animation
C1 ENERGY= 479.5 kJ/mol Energy+ZPE= 470.7 kJ/mol ZPE= 0.0607744 CONNECTIONS: o EQ29 o EQ132
[ TS381 ] Animation
Cs ENERGY= 516.0 kJ/mol Energy+ZPE= 496.6 kJ/mol ZPE= 0.0567253 CONNECTIONS: o EQ29 o EQ166
[ TS382 ] Animation
C1 ENERGY= 592.9 kJ/mol Energy+ZPE= 571.6 kJ/mol ZPE= 0.0560067 CONNECTIONS: o EQ29 o EQ211
[ TS383 ] Animation
C1 ENERGY= 594.0 kJ/mol Energy+ZPE= 573.3 kJ/mol ZPE= 0.0562621 CONNECTIONS: o EQ29 o EQ212
[ TS384 ] Animation
C1 ENERGY= 544.9 kJ/mol Energy+ZPE= 519.0 kJ/mol ZPE= 0.0542663 CONNECTIONS: o EQ29 o DDC68
[ TS385 ] Animation
C1 ENERGY= 657.0 kJ/mol Energy+ZPE= 630.6 kJ/mol ZPE= 0.0540638 CONNECTIONS: o EQ29 o DDC69
[ TS386 ] Animation
C1 ENERGY= 657.6 kJ/mol Energy+ZPE= 621.1 kJ/mol ZPE= 0.0502317 CONNECTIONS: o EQ29 o DDC70
[ TS387 ] Animation
C1 ENERGY= 659.1 kJ/mol Energy+ZPE= 622.7 kJ/mol ZPE= 0.0502753 CONNECTIONS: o EQ29 o DDC71
[ TS388 ] Animation
Cs ENERGY= 273.5 kJ/mol Energy+ZPE= 265.4 kJ/mol ZPE= 0.0610271 CONNECTIONS: o EQ30 o EQ30
[ TS389 ] Animation
Cs ENERGY= 406.4 kJ/mol Energy+ZPE= 386.4 kJ/mol ZPE= 0.0565208 CONNECTIONS: o EQ30 o EQ40
[ TS390 ] Animation
C1 ENERGY= 562.6 kJ/mol Energy+ZPE= 547.6 kJ/mol ZPE= 0.0584230 CONNECTIONS: o EQ30 o EQ49
[ TS391 ] Animation
C1 ENERGY= 584.7 kJ/mol Energy+ZPE= 562.8 kJ/mol ZPE= 0.0557944 CONNECTIONS: o EQ30 o EQ75
[ TS392 ] Animation
C1 ENERGY= 686.8 kJ/mol Energy+ZPE= 659.3 kJ/mol ZPE= 0.0536492 CONNECTIONS: o EQ30 o EQ79
[ TS393 ] Animation
C1 ENERGY= 720.8 kJ/mol Energy+ZPE= 690.4 kJ/mol ZPE= 0.0525453 CONNECTIONS: o EQ30 o EQ92
[ TS394 ] Animation
C1 ENERGY= 570.1 kJ/mol Energy+ZPE= 551.6 kJ/mol ZPE= 0.0570864 CONNECTIONS: o EQ30 o EQ180
[ TS395 ] Animation
C1 ENERGY= 685.9 kJ/mol Energy+ZPE= 671.6 kJ/mol ZPE= 0.0586706 CONNECTIONS: o EQ30 o EQ233
[ TS396 ] Animation
C1 ENERGY= 532.1 kJ/mol Energy+ZPE= 506.2 kJ/mol ZPE= 0.0542518 CONNECTIONS: o EQ30 o DDC72
[ TS397 ] Animation
C1 ENERGY= 659.0 kJ/mol Energy+ZPE= 624.2 kJ/mol ZPE= 0.0508719 CONNECTIONS: o EQ30 o DDC73
[ TS398 ] Animation
C1 ENERGY= 667.4 kJ/mol Energy+ZPE= 632.7 kJ/mol ZPE= 0.0509224 CONNECTIONS: o EQ30 o DDC74
[ TS399 ] Animation
C1 ENERGY= 707.4 kJ/mol Energy+ZPE= 678.5 kJ/mol ZPE= 0.0531109 CONNECTIONS: o EQ30 o DDC75
[ TS400 ] Animation
C1 ENERGY= 756.9 kJ/mol Energy+ZPE= 723.6 kJ/mol ZPE= 0.0514482 CONNECTIONS: o EQ30 o DDC76
[ TS401 ] Animation
Cs ENERGY= 270.1 kJ/mol Energy+ZPE= 262.5 kJ/mol ZPE= 0.0612498 CONNECTIONS: o EQ31 o EQ31
[ TS402 ] Animation
C1 ENERGY= 529.9 kJ/mol Energy+ZPE= 509.3 kJ/mol ZPE= 0.0562832 CONNECTIONS: o EQ31 o EQ91
[ TS403 ] Animation
C1 ENERGY= 568.0 kJ/mol Energy+ZPE= 542.1 kJ/mol ZPE= 0.0542789 CONNECTIONS: o EQ31 o DDC77
[ TS404 ] Animation
C1 ENERGY= 500.4 kJ/mol Energy+ZPE= 481.2 kJ/mol ZPE= 0.0568024 CONNECTIONS: o EQ32 o EQ61
[ TS405 ] Animation
Cs ENERGY= 611.9 kJ/mol Energy+ZPE= 586.0 kJ/mol ZPE= 0.0542727 CONNECTIONS: o EQ32 o EQ100
[ TS406 ] Animation
C1 ENERGY= 274.8 kJ/mol Energy+ZPE= 266.0 kJ/mol ZPE= 0.0607973 CONNECTIONS: o EQ33 o EQ35
[ TS407 ] Animation
C1 ENERGY= 276.5 kJ/mol Energy+ZPE= 266.8 kJ/mol ZPE= 0.0604541 CONNECTIONS: o EQ33 o EQ35
[ TS408 ] Animation
C1 ENERGY= 289.3 kJ/mol Energy+ZPE= 279.9 kJ/mol ZPE= 0.0605330 CONNECTIONS: o EQ33 o EQ35
[ TS409 ] Animation
C1 ENERGY= 538.8 kJ/mol Energy+ZPE= 516.5 kJ/mol ZPE= 0.0556307 CONNECTIONS: o EQ33 o EQ84
[ TS410 ] Animation
C1 ENERGY= 623.9 kJ/mol Energy+ZPE= 603.1 kJ/mol ZPE= 0.0562164 CONNECTIONS: o EQ33 o EQ136
[ TS411 ] Animation
C1 ENERGY= 442.5 kJ/mol Energy+ZPE= 423.1 kJ/mol ZPE= 0.0567245 CONNECTIONS: o EQ33 o DDC78
[ TS412 ] Animation
C1 ENERGY= 457.9 kJ/mol Energy+ZPE= 436.6 kJ/mol ZPE= 0.0560137 CONNECTIONS: o EQ33 o DDC79
[ TS413 ] Animation
C1 ENERGY= 475.8 kJ/mol Energy+ZPE= 443.4 kJ/mol ZPE= 0.0517837 CONNECTIONS: o EQ33 o DDC80
[ TS414 ] Animation
C1 ENERGY= 579.9 kJ/mol Energy+ZPE= 552.5 kJ/mol ZPE= 0.0536799 CONNECTIONS: o EQ33 o DDC81
[ TS415 ] Animation
Cs ENERGY= 281.5 kJ/mol Energy+ZPE= 274.8 kJ/mol ZPE= 0.0615712 CONNECTIONS: o EQ34 o EQ34
[ TS416 ] Animation
C1 ENERGY= 613.7 kJ/mol Energy+ZPE= 593.4 kJ/mol ZPE= 0.0563941 CONNECTIONS: o EQ34 o EQ34
[ TS417 ] Animation
C1 ENERGY= 667.8 kJ/mol Energy+ZPE= 646.9 kJ/mol ZPE= 0.0561521 CONNECTIONS: o EQ34 o EQ34
[ TS418 ] Animation
C1 ENERGY= 390.7 kJ/mol Energy+ZPE= 377.7 kJ/mol ZPE= 0.0591744 CONNECTIONS: o EQ34 o EQ36
[ TS419 ] Animation
C1 ENERGY= 605.8 kJ/mol Energy+ZPE= 582.4 kJ/mol ZPE= 0.0552310 CONNECTIONS: o EQ34 o EQ36
[ TS420 ] Animation
C1 ENERGY= 322.6 kJ/mol Energy+ZPE= 316.8 kJ/mol ZPE= 0.0619140 CONNECTIONS: o EQ34 o EQ37
[ TS421 ] Animation
C1 ENERGY= 331.1 kJ/mol Energy+ZPE= 324.6 kJ/mol ZPE= 0.0616621 CONNECTIONS: o EQ34 o EQ37
[ TS422 ] Animation
C1 ENERGY= 349.0 kJ/mol Energy+ZPE= 341.7 kJ/mol ZPE= 0.0613667 CONNECTIONS: o EQ34 o EQ37
[ TS423 ] Animation
C1 ENERGY= 327.6 kJ/mol Energy+ZPE= 310.2 kJ/mol ZPE= 0.0575218 CONNECTIONS: o EQ34 o EQ38
[ TS424 ] Animation
C1 ENERGY= 376.2 kJ/mol Energy+ZPE= 364.3 kJ/mol ZPE= 0.0595800 CONNECTIONS: o EQ34 o EQ46
[ TS425 ] Animation
C1 ENERGY= 328.7 kJ/mol Energy+ZPE= 323.2 kJ/mol ZPE= 0.0620370 CONNECTIONS: o EQ34 o EQ48
[ TS426 ] Animation
C1 ENERGY= 585.9 kJ/mol Energy+ZPE= 571.1 kJ/mol ZPE= 0.0585055 CONNECTIONS: o EQ34 o EQ56
[ TS427 ] Animation
C1 ENERGY= 615.9 kJ/mol Energy+ZPE= 598.8 kJ/mol ZPE= 0.0576098 CONNECTIONS: o EQ34 o EQ56
[ TS428 ] Animation
C1 ENERGY= 591.9 kJ/mol Energy+ZPE= 573.5 kJ/mol ZPE= 0.0571350 CONNECTIONS: o EQ34 o EQ95
[ TS429 ] Animation
C1 ENERGY= 632.6 kJ/mol Energy+ZPE= 615.9 kJ/mol ZPE= 0.0577683 CONNECTIONS: o EQ34 o EQ127
[ TS430 ] Animation
C1 ENERGY= 534.0 kJ/mol Energy+ZPE= 517.7 kJ/mol ZPE= 0.0579390 CONNECTIONS: o EQ34 o EQ142
[ TS431 ] Animation
C1 ENERGY= 813.0 kJ/mol Energy+ZPE= 791.6 kJ/mol ZPE= 0.0559830 CONNECTIONS: o EQ34 o EQ178
[ TS432 ] Animation
C1 ENERGY= 693.9 kJ/mol Energy+ZPE= 677.8 kJ/mol ZPE= 0.0580031 CONNECTIONS: o EQ34 o EQ184
[ TS433 ] Animation
C1 ENERGY= 727.5 kJ/mol Energy+ZPE= 710.5 kJ/mol ZPE= 0.0576679 CONNECTIONS: o EQ34 o EQ184
[ TS434 ] Animation
C1 ENERGY= 752.1 kJ/mol Energy+ZPE= 733.8 kJ/mol ZPE= 0.0571735 CONNECTIONS: o EQ34 o EQ184
[ TS435 ] Animation
C1 ENERGY= 573.1 kJ/mol Energy+ZPE= 560.7 kJ/mol ZPE= 0.0593900 CONNECTIONS: o EQ34 o EQ202
[ TS436 ] Animation
C1 ENERGY= 711.2 kJ/mol Energy+ZPE= 694.0 kJ/mol ZPE= 0.0575864 CONNECTIONS: o EQ34 o EQ204
[ TS437 ] Animation
C1 ENERGY= 628.3 kJ/mol Energy+ZPE= 613.4 kJ/mol ZPE= 0.0584606 CONNECTIONS: o EQ34 o EQ225
[ TS438 ] Animation
C1 ENERGY= 756.3 kJ/mol Energy+ZPE= 740.1 kJ/mol ZPE= 0.0579673 CONNECTIONS: o EQ34 o EQ236
[ TS439 ] Animation
C1 ENERGY= 772.7 kJ/mol Energy+ZPE= 754.9 kJ/mol ZPE= 0.0573617 CONNECTIONS: o EQ34 o EQ247
[ TS440 ] Animation
C1 ENERGY= 732.4 kJ/mol Energy+ZPE= 713.0 kJ/mol ZPE= 0.0567392 CONNECTIONS: o EQ34 o EQ249
[ TS441 ] Animation
C1 ENERGY= 741.8 kJ/mol Energy+ZPE= 721.6 kJ/mol ZPE= 0.0564360 CONNECTIONS: o EQ34 o EQ250
[ TS442 ] Animation
C1 ENERGY= 721.9 kJ/mol Energy+ZPE= 709.5 kJ/mol ZPE= 0.0594115 CONNECTIONS: o EQ34 o EQ253
[ TS443 ] Animation
C1 ENERGY= 1019.4 kJ/mol Energy+ZPE= 997.2 kJ/mol ZPE= 0.0556702 CONNECTIONS: o EQ34 o EQ253
[ TS444 ] Animation
C1 ENERGY= 745.9 kJ/mol Energy+ZPE= 731.6 kJ/mol ZPE= 0.0586801 CONNECTIONS: o EQ34 o EQ266
[ TS445 ] Animation
C1 ENERGY= 756.6 kJ/mol Energy+ZPE= 741.9 kJ/mol ZPE= 0.0585355 CONNECTIONS: o EQ34 o EQ270
[ TS446 ] Animation
C1 ENERGY= 608.9 kJ/mol Energy+ZPE= 588.1 kJ/mol ZPE= 0.0562153 CONNECTIONS: o EQ34 o DDC82
[ TS447 ] Animation
C1 ENERGY= 620.1 kJ/mol Energy+ZPE= 598.3 kJ/mol ZPE= 0.0558434 CONNECTIONS: o EQ34 o DDC83
[ TS448 ] Animation
C1 ENERGY= 627.4 kJ/mol Energy+ZPE= 604.9 kJ/mol ZPE= 0.0555753 CONNECTIONS: o EQ34 o DDC84
[ TS449 ] Animation
C1 ENERGY= 666.1 kJ/mol Energy+ZPE= 638.5 kJ/mol ZPE= 0.0536229 CONNECTIONS: o EQ34 o DDC85
[ TS450 ] Animation
C1 ENERGY= 715.2 kJ/mol Energy+ZPE= 686.4 kJ/mol ZPE= 0.0531590 CONNECTIONS: o EQ34 o DDC86
[ TS451 ] Animation
C1 ENERGY= 732.0 kJ/mol Energy+ZPE= 700.1 kJ/mol ZPE= 0.0519721 CONNECTIONS: o EQ34 o DDC87
[ TS452 ] Animation
C1 ENERGY= 739.7 kJ/mol Energy+ZPE= 705.6 kJ/mol ZPE= 0.0511348 CONNECTIONS: o EQ34 o DDC88
[ TS453 ] Animation
C1 ENERGY= 628.2 kJ/mol Energy+ZPE= 607.0 kJ/mol ZPE= 0.0560646 CONNECTIONS: o EQ35 o EQ136
[ TS454 ] Animation
C1 ENERGY= 463.6 kJ/mol Energy+ZPE= 432.0 kJ/mol ZPE= 0.0521096 CONNECTIONS: o EQ35 o DDC89
[ TS455 ] Animation
Cs ENERGY= 575.5 kJ/mol Energy+ZPE= 557.1 kJ/mol ZPE= 0.0571401 CONNECTIONS: o EQ36 o EQ36
[ TS456 ] Animation
C1 ENERGY= 589.3 kJ/mol Energy+ZPE= 573.2 kJ/mol ZPE= 0.0580055 CONNECTIONS: o EQ36 o EQ37
[ TS457 ] Animation
C1 ENERGY= 579.5 kJ/mol Energy+ZPE= 564.5 kJ/mol ZPE= 0.0584050 CONNECTIONS: o EQ36 o EQ41
[ TS458 ] Animation
C1 ENERGY= 315.9 kJ/mol Energy+ZPE= 310.1 kJ/mol ZPE= 0.0619347 CONNECTIONS: o EQ36 o EQ44
[ TS459 ] Animation
C1 ENERGY= 327.3 kJ/mol Energy+ZPE= 321.0 kJ/mol ZPE= 0.0617494 CONNECTIONS: o EQ36 o EQ44
[ TS460 ] Animation
C1 ENERGY= 290.6 kJ/mol Energy+ZPE= 284.2 kJ/mol ZPE= 0.0616761 CONNECTIONS: o EQ36 o EQ46
[ TS461 ] Animation
C1 ENERGY= 306.2 kJ/mol Energy+ZPE= 299.2 kJ/mol ZPE= 0.0614804 CONNECTIONS: o EQ36 o EQ46
[ TS462 ] Animation
C1 ENERGY= 308.7 kJ/mol Energy+ZPE= 302.2 kJ/mol ZPE= 0.0616617 CONNECTIONS: o EQ36 o EQ46
[ TS463 ] Animation
C1 ENERGY= 572.8 kJ/mol Energy+ZPE= 552.1 kJ/mol ZPE= 0.0562310 CONNECTIONS: o EQ36 o EQ60
[ TS464 ] Animation
C1 ENERGY= 584.2 kJ/mol Energy+ZPE= 563.1 kJ/mol ZPE= 0.0560867 CONNECTIONS: o EQ36 o EQ95
[ TS465 ] Animation
C1 ENERGY= 502.7 kJ/mol Energy+ZPE= 486.5 kJ/mol ZPE= 0.0579469 CONNECTIONS: o EQ36 o EQ111
[ TS466 ] Animation
C1 ENERGY= 520.0 kJ/mol Energy+ZPE= 495.7 kJ/mol ZPE= 0.0548724 CONNECTIONS: o EQ36 o EQ153
[ TS467 ] Animation
Cs ENERGY= 882.8 kJ/mol Energy+ZPE= 859.0 kJ/mol ZPE= 0.0550747 CONNECTIONS: o EQ36 o EQ163
[ TS468 ] Animation
C1 ENERGY= 586.0 kJ/mol Energy+ZPE= 571.8 kJ/mol ZPE= 0.0587394 CONNECTIONS: o EQ36 o EQ211
[ TS469 ] Animation
C1 ENERGY= 772.1 kJ/mol Energy+ZPE= 757.3 kJ/mol ZPE= 0.0584903 CONNECTIONS: o EQ36 o EQ253
[ TS470 ] Animation
C1 ENERGY= 768.1 kJ/mol Energy+ZPE= 751.9 kJ/mol ZPE= 0.0579602 CONNECTIONS: o EQ36 o EQ256
[ TS471 ] Animation
C1 ENERGY= 587.2 kJ/mol Energy+ZPE= 564.7 kJ/mol ZPE= 0.0555611 CONNECTIONS: o EQ36 o DDC90
[ TS472 ] Animation
C1 ENERGY= 590.9 kJ/mol Energy+ZPE= 563.9 kJ/mol ZPE= 0.0538457 CONNECTIONS: o EQ36 o DDC91
[ TS473 ] Animation
C1 ENERGY= 617.2 kJ/mol Energy+ZPE= 592.4 kJ/mol ZPE= 0.0546687 CONNECTIONS: o EQ36 o DDC92
[ TS474 ] Animation
C1 ENERGY= 623.1 kJ/mol Energy+ZPE= 588.9 kJ/mol ZPE= 0.0511105 CONNECTIONS: o EQ36 o DDC93
[ TS475 ] Animation
C1 ENERGY= 644.5 kJ/mol Energy+ZPE= 617.3 kJ/mol ZPE= 0.0537540 CONNECTIONS: o EQ36 o DDC94
[ TS476 ] Animation
C1 ENERGY= 656.2 kJ/mol Energy+ZPE= 626.4 kJ/mol ZPE= 0.0527966 CONNECTIONS: o EQ36 o DDC95
[ TS477 ] Animation
C1 ENERGY= 674.7 kJ/mol Energy+ZPE= 653.6 kJ/mol ZPE= 0.0560912 CONNECTIONS: o EQ37 o EQ37
[ TS478 ] Animation
C1 ENERGY= 384.8 kJ/mol Energy+ZPE= 372.3 kJ/mol ZPE= 0.0593640 CONNECTIONS: o EQ37 o EQ44
[ TS479 ] Animation
C1 ENERGY= 292.6 kJ/mol Energy+ZPE= 285.6 kJ/mol ZPE= 0.0614756 CONNECTIONS: o EQ37 o EQ48
[ TS480 ] Animation
C1 ENERGY= 308.1 kJ/mol Energy+ZPE= 301.1 kJ/mol ZPE= 0.0614645 CONNECTIONS: o EQ37 o EQ48
[ TS481 ] Animation
C1 ENERGY= 309.3 kJ/mol Energy+ZPE= 302.2 kJ/mol ZPE= 0.0614337 CONNECTIONS: o EQ37 o EQ48
[ TS482 ] Animation
C1 ENERGY= 577.4 kJ/mol Energy+ZPE= 562.5 kJ/mol ZPE= 0.0584493 CONNECTIONS: o EQ37 o EQ51
[ TS483 ] Animation
C1 ENERGY= 613.7 kJ/mol Energy+ZPE= 593.3 kJ/mol ZPE= 0.0563492 CONNECTIONS: o EQ37 o EQ105
[ TS484 ] Animation
C1 ENERGY= 508.4 kJ/mol Energy+ZPE= 492.1 kJ/mol ZPE= 0.0579091 CONNECTIONS: o EQ37 o EQ120
[ TS485 ] Animation
C1 ENERGY= 611.4 kJ/mol Energy+ZPE= 592.6 kJ/mol ZPE= 0.0569768 CONNECTIONS: o EQ37 o EQ125
[ TS486 ] Animation
C1 ENERGY= 540.9 kJ/mol Energy+ZPE= 514.9 kJ/mol ZPE= 0.0542104 CONNECTIONS: o EQ37 o EQ167
[ TS487 ] Animation
C1 ENERGY= 687.7 kJ/mol Energy+ZPE= 667.5 kJ/mol ZPE= 0.0564522 CONNECTIONS: o EQ37 o EQ178
[ TS488 ] Animation
C1 ENERGY= 710.9 kJ/mol Energy+ZPE= 693.7 kJ/mol ZPE= 0.0575853 CONNECTIONS: o EQ37 o EQ204
[ TS489 ] Animation
C1 ENERGY= 749.7 kJ/mol Energy+ZPE= 732.7 kJ/mol ZPE= 0.0576414 CONNECTIONS: o EQ37 o EQ204
[ TS490 ] Animation
C1 ENERGY= 588.5 kJ/mol Energy+ZPE= 576.3 kJ/mol ZPE= 0.0594796 CONNECTIONS: o EQ37 o EQ214
[ TS491 ] Animation
C1 ENERGY= 707.5 kJ/mol Energy+ZPE= 692.6 kJ/mol ZPE= 0.0584528 CONNECTIONS: o EQ37 o EQ242
[ TS492 ] Animation
C1 ENERGY= 731.6 kJ/mol Energy+ZPE= 718.8 kJ/mol ZPE= 0.0592409 CONNECTIONS: o EQ37 o EQ256
[ TS493 ] Animation
C1 ENERGY= 717.9 kJ/mol Energy+ZPE= 686.8 kJ/mol ZPE= 0.0522932 CONNECTIONS: o EQ37 o DDC96
[ TS494 ] Animation
Cs ENERGY= 280.0 kJ/mol Energy+ZPE= 273.9 kJ/mol ZPE= 0.0618055 CONNECTIONS: o EQ38 o EQ38
[ TS495 ] Animation
Cs ENERGY= 304.2 kJ/mol Energy+ZPE= 299.5 kJ/mol ZPE= 0.0623364 CONNECTIONS: o EQ38 o EQ38
[ TS496 ] Animation
Cs ENERGY= 323.7 kJ/mol Energy+ZPE= 318.3 kJ/mol ZPE= 0.0620625 CONNECTIONS: o EQ38 o EQ38
[ TS497 ] Animation
C1 ENERGY= 455.1 kJ/mol Energy+ZPE= 435.6 kJ/mol ZPE= 0.0566988 CONNECTIONS: o EQ38 o EQ60
[ TS498 ] Animation
C1 ENERGY= 463.0 kJ/mol Energy+ZPE= 455.5 kJ/mol ZPE= 0.0612889 CONNECTIONS: o EQ38 o EQ64
[ TS499 ] Animation
C1 ENERGY= 487.5 kJ/mol Energy+ZPE= 478.2 kJ/mol ZPE= 0.0605788 CONNECTIONS: o EQ38 o EQ68
[ TS500 ] Animation
C1 ENERGY= 764.4 kJ/mol Energy+ZPE= 755.7 kJ/mol ZPE= 0.0608226 CONNECTIONS: o EQ38 o EQ111
[ TS501 ] Animation
C1 ENERGY= 797.7 kJ/mol Energy+ZPE= 786.7 kJ/mol ZPE= 0.0599393 CONNECTIONS: o EQ38 o EQ111
[ TS502 ] Animation
C1 ENERGY= 770.9 kJ/mol Energy+ZPE= 761.6 kJ/mol ZPE= 0.0606057 CONNECTIONS: o EQ38 o EQ120
[ TS503 ] Animation
C1 ENERGY= 618.5 kJ/mol Energy+ZPE= 600.6 kJ/mol ZPE= 0.0573288 CONNECTIONS: o EQ38 o EQ151
[ TS504 ] Animation
C1 ENERGY= 566.9 kJ/mol Energy+ZPE= 550.0 kJ/mol ZPE= 0.0577023 CONNECTIONS: o EQ38 o EQ155
[ TS505 ] Animation
C1 ENERGY= 756.2 kJ/mol Energy+ZPE= 739.5 kJ/mol ZPE= 0.0577602 CONNECTIONS: o EQ38 o EQ205
[ TS506 ] Animation
C1 ENERGY= 826.8 kJ/mol Energy+ZPE= 808.0 kJ/mol ZPE= 0.0569560 CONNECTIONS: o EQ38 o EQ205
[ TS507 ] Animation
C1 ENERGY= 816.6 kJ/mol Energy+ZPE= 802.4 kJ/mol ZPE= 0.0587302 CONNECTIONS: o EQ38 o EQ275
[ TS508 ] Animation
C1 ENERGY= 602.5 kJ/mol Energy+ZPE= 584.6 kJ/mol ZPE= 0.0573316 CONNECTIONS: o EQ38 o DDC97
[ TS509 ] Animation
Cs ENERGY= 663.3 kJ/mol Energy+ZPE= 641.8 kJ/mol ZPE= 0.0559523 CONNECTIONS: o EQ39 o EQ39
[ TS510 ] Animation
Cs ENERGY= 789.8 kJ/mol Energy+ZPE= 777.8 kJ/mol ZPE= 0.0595508 CONNECTIONS: o EQ39 o EQ39
[ TS511 ] Animation
C1 ENERGY= 307.1 kJ/mol Energy+ZPE= 300.8 kJ/mol ZPE= 0.0617377 CONNECTIONS: o EQ39 o EQ57
[ TS512 ] Animation
Cs ENERGY= 334.1 kJ/mol Energy+ZPE= 325.8 kJ/mol ZPE= 0.0609759 CONNECTIONS: o EQ39 o EQ57
[ TS513 ] Animation
C1 ENERGY= 600.8 kJ/mol Energy+ZPE= 583.7 kJ/mol ZPE= 0.0576109 CONNECTIONS: o EQ39 o EQ64
[ TS514 ] Animation
C1 ENERGY= 623.8 kJ/mol Energy+ZPE= 605.4 kJ/mol ZPE= 0.0571100 CONNECTIONS: o EQ39 o EQ106
[ TS515 ] Animation
C1 ENERGY= 482.9 kJ/mol Energy+ZPE= 474.3 kJ/mol ZPE= 0.0608370 CONNECTIONS: o EQ39 o EQ120
[ TS516 ] Animation
Cs ENERGY= 523.6 kJ/mol Energy+ZPE= 509.1 kJ/mol ZPE= 0.0586056 CONNECTIONS: o EQ39 o EQ166
[ TS517 ] Animation
C1 ENERGY= 586.3 kJ/mol Energy+ZPE= 565.0 kJ/mol ZPE= 0.0560312 CONNECTIONS: o EQ39 o EQ202
[ TS518 ] Animation
C1 ENERGY= 598.6 kJ/mol Energy+ZPE= 578.3 kJ/mol ZPE= 0.0564067 CONNECTIONS: o EQ39 o EQ214
[ TS519 ] Animation
Cs ENERGY= 679.3 kJ/mol Energy+ZPE= 655.8 kJ/mol ZPE= 0.0551810 CONNECTIONS: o EQ39 o EQ220
[ TS520 ] Animation
C1 ENERGY= 840.8 kJ/mol Energy+ZPE= 823.5 kJ/mol ZPE= 0.0575272 CONNECTIONS: o EQ39 o EQ281
[ TS521 ] Animation
C1 ENERGY= 823.0 kJ/mol Energy+ZPE= 800.7 kJ/mol ZPE= 0.0556544 CONNECTIONS: o EQ39 o EQ282
[ TS522 ] Animation
C1 ENERGY= 580.7 kJ/mol Energy+ZPE= 556.0 kJ/mol ZPE= 0.0547071 CONNECTIONS: o EQ39 o DDC98
[ TS523 ] Animation
C1 ENERGY= 580.9 kJ/mol Energy+ZPE= 557.9 kJ/mol ZPE= 0.0553853 CONNECTIONS: o EQ39 o DDC99
[ TS524 ] Animation
C1 ENERGY= 590.9 kJ/mol Energy+ZPE= 563.1 kJ/mol ZPE= 0.0535254 CONNECTIONS: o EQ39 o DDC100
[ TS525 ] Animation
C1 ENERGY= 659.4 kJ/mol Energy+ZPE= 633.7 kJ/mol ZPE= 0.0543461 CONNECTIONS: o EQ39 o DDC101
[ TS526 ] Animation
C1 ENERGY= 664.1 kJ/mol Energy+ZPE= 628.0 kJ/mol ZPE= 0.0503730 CONNECTIONS: o EQ39 o DDC102
[ TS527 ] Animation
C1 ENERGY= 707.2 kJ/mol Energy+ZPE= 676.3 kJ/mol ZPE= 0.0523637 CONNECTIONS: o EQ39 o DDC103
[ TS528 ] Animation
Cs ENERGY= 282.9 kJ/mol Energy+ZPE= 274.6 kJ/mol ZPE= 0.0609834 CONNECTIONS: o EQ40 o EQ40
[ TS529 ] Animation
C1 ENERGY= 321.8 kJ/mol Energy+ZPE= 310.0 kJ/mol ZPE= 0.0596206 CONNECTIONS: o EQ40 o EQ45
[ TS530 ] Animation
C1 ENERGY= 439.7 kJ/mol Energy+ZPE= 423.8 kJ/mol ZPE= 0.0580841 CONNECTIONS: o EQ40 o EQ65
[ TS531 ] Animation
C1 ENERGY= 606.6 kJ/mol Energy+ZPE= 587.9 kJ/mol ZPE= 0.0570027 CONNECTIONS: o EQ40 o EQ90
[ TS532 ] Animation
C1 ENERGY= 595.1 kJ/mol Energy+ZPE= 571.7 kJ/mol ZPE= 0.0552233 CONNECTIONS: o EQ40 o EQ102
[ TS533 ] Animation
C1 ENERGY= 747.0 kJ/mol Energy+ZPE= 728.7 kJ/mol ZPE= 0.0571714 CONNECTIONS: o EQ40 o EQ262
[ TS534 ] Animation
C1 ENERGY= 670.2 kJ/mol Energy+ZPE= 633.1 kJ/mol ZPE= 0.0500182 CONNECTIONS: o EQ40 o DDC104
[ TS535 ] Animation
C1 ENERGY= 706.9 kJ/mol Energy+ZPE= 669.6 kJ/mol ZPE= 0.0499260 CONNECTIONS: o EQ40 o DDC105
[ TS536 ] Animation
C1 ENERGY= 595.5 kJ/mol Energy+ZPE= 578.8 kJ/mol ZPE= 0.0577525 CONNECTIONS: o EQ41 o EQ46
[ TS537 ] Animation
C1 ENERGY= 573.1 kJ/mol Energy+ZPE= 559.2 kJ/mol ZPE= 0.0588492 CONNECTIONS: o EQ41 o EQ48
[ TS538 ] Animation
C1 ENERGY= 294.6 kJ/mol Energy+ZPE= 291.5 kJ/mol ZPE= 0.0629392 CONNECTIONS: o EQ41 o EQ51
[ TS539 ] Animation
C1 ENERGY= 301.7 kJ/mol Energy+ZPE= 298.2 kJ/mol ZPE= 0.0628087 CONNECTIONS: o EQ41 o EQ51
[ TS540 ] Animation
C1 ENERGY= 618.8 kJ/mol Energy+ZPE= 603.7 kJ/mol ZPE= 0.0583615 CONNECTIONS: o EQ41 o EQ51
[ TS541 ] Animation
C1 ENERGY= 392.7 kJ/mol Energy+ZPE= 385.0 kJ/mol ZPE= 0.0611793 CONNECTIONS: o EQ41 o EQ56
[ TS542 ] Animation
C1 ENERGY= 469.2 kJ/mol Energy+ZPE= 459.7 kJ/mol ZPE= 0.0605281 CONNECTIONS: o EQ41 o EQ61
[ TS543 ] Animation
C1 ENERGY= 402.3 kJ/mol Energy+ZPE= 394.6 kJ/mol ZPE= 0.0611838 CONNECTIONS: o EQ41 o EQ74
[ TS544 ] Animation
C1 ENERGY= 519.7 kJ/mol Energy+ZPE= 507.0 kJ/mol ZPE= 0.0592863 CONNECTIONS: o EQ41 o EQ81
[ TS545 ] Animation
C1 ENERGY= 453.8 kJ/mol Energy+ZPE= 444.4 kJ/mol ZPE= 0.0605564 CONNECTIONS: o EQ41 o EQ84
[ TS546 ] Animation
C1 ENERGY= 451.8 kJ/mol Energy+ZPE= 441.8 kJ/mol ZPE= 0.0603379 CONNECTIONS: o EQ41 o EQ91
[ TS547 ] Animation
C1 ENERGY= 452.7 kJ/mol Energy+ZPE= 442.4 kJ/mol ZPE= 0.0602057 CONNECTIONS: o EQ41 o EQ91
[ TS548 ] Animation
C1 ENERGY= 489.7 kJ/mol Energy+ZPE= 472.3 kJ/mol ZPE= 0.0575140 CONNECTIONS: o EQ41 o EQ109
[ TS549 ] Animation
C1 ENERGY= 501.2 kJ/mol Energy+ZPE= 483.8 kJ/mol ZPE= 0.0575083 CONNECTIONS: o EQ41 o EQ109
[ TS550 ] Animation
C1 ENERGY= 502.5 kJ/mol Energy+ZPE= 484.5 kJ/mol ZPE= 0.0572849 CONNECTIONS: o EQ41 o EQ124
[ TS551 ] Animation
C1 ENERGY= 658.1 kJ/mol Energy+ZPE= 637.3 kJ/mol ZPE= 0.0562182 CONNECTIONS: o EQ41 o EQ202
[ TS552 ] Animation
C1 ENERGY= 561.8 kJ/mol Energy+ZPE= 540.1 kJ/mol ZPE= 0.0558501 CONNECTIONS: o EQ41 o DDC106
[ TS553 ] Animation
C1 ENERGY= 571.0 kJ/mol Energy+ZPE= 556.6 kJ/mol ZPE= 0.0586274 CONNECTIONS: o EQ41 o DDC107
[ TS554 ] Animation
C1 ENERGY= 579.0 kJ/mol Energy+ZPE= 562.8 kJ/mol ZPE= 0.0579581 CONNECTIONS: o EQ41 o DDC108
[ TS555 ] Animation
C1 ENERGY= 614.3 kJ/mol Energy+ZPE= 590.4 kJ/mol ZPE= 0.0550228 CONNECTIONS: o EQ41 o DDC109
[ TS556 ] Animation
Cs ENERGY= 287.0 kJ/mol Energy+ZPE= 278.3 kJ/mol ZPE= 0.0608274 CONNECTIONS: o EQ42 o EQ42
[ TS557 ] Animation
C1 ENERGY= 426.2 kJ/mol Energy+ZPE= 410.6 kJ/mol ZPE= 0.0581709 CONNECTIONS: o EQ42 o EQ45
[ TS558 ] Animation
Cs ENERGY= 522.6 kJ/mol Energy+ZPE= 500.3 kJ/mol ZPE= 0.0556511 CONNECTIONS: o EQ42 o EQ55
[ TS559 ] Animation
C1 ENERGY= 328.4 kJ/mol Energy+ZPE= 315.4 kJ/mol ZPE= 0.0591732 CONNECTIONS: o EQ42 o EQ65
[ TS560 ] Animation
Cs ENERGY= 514.5 kJ/mol Energy+ZPE= 496.7 kJ/mol ZPE= 0.0573676 CONNECTIONS: o EQ42 o EQ90
[ TS561 ] Animation
Cs ENERGY= 524.6 kJ/mol Energy+ZPE= 505.8 kJ/mol ZPE= 0.0569771 CONNECTIONS: o EQ42 o EQ90
[ TS562 ] Animation
C1 ENERGY= 786.7 kJ/mol Energy+ZPE= 757.2 kJ/mol ZPE= 0.0528832 CONNECTIONS: o EQ42 o EQ96
[ TS563 ] Animation
C1 ENERGY= 583.4 kJ/mol Energy+ZPE= 562.9 kJ/mol ZPE= 0.0563304 CONNECTIONS: o EQ42 o EQ126
[ TS564 ] Animation
C1 ENERGY= 729.5 kJ/mol Energy+ZPE= 711.9 kJ/mol ZPE= 0.0574184 CONNECTIONS: o EQ42 o EQ251
[ TS565 ] Animation
C1 ENERGY= 750.0 kJ/mol Energy+ZPE= 731.6 kJ/mol ZPE= 0.0571387 CONNECTIONS: o EQ42 o EQ262
[ TS566 ] Animation
C1 ENERGY= 447.4 kJ/mol Energy+ZPE= 419.5 kJ/mol ZPE= 0.0535185 CONNECTIONS: o EQ42 o DDC110
[ TS567 ] Animation
C1 ENERGY= 520.5 kJ/mol Energy+ZPE= 495.0 kJ/mol ZPE= 0.0544023 CONNECTIONS: o EQ42 o DDC111
[ TS568 ] Animation
C1 ENERGY= 661.6 kJ/mol Energy+ZPE= 626.5 kJ/mol ZPE= 0.0507700 CONNECTIONS: o EQ42 o DDC112
[ TS569 ] Animation
C1 ENERGY= 689.8 kJ/mol Energy+ZPE= 653.5 kJ/mol ZPE= 0.0503100 CONNECTIONS: o EQ42 o DDC113
[ TS570 ] Animation
C1 ENERGY= 318.6 kJ/mol Energy+ZPE= 312.2 kJ/mol ZPE= 0.0616918 CONNECTIONS: o EQ43 o EQ47
[ TS571 ] Animation
C1 ENERGY= 611.3 kJ/mol Energy+ZPE= 587.8 kJ/mol ZPE= 0.0551974 CONNECTIONS: o EQ43 o EQ119
[ TS572 ] Animation
C1 ENERGY= 792.6 kJ/mol Energy+ZPE= 778.6 kJ/mol ZPE= 0.0587876 CONNECTIONS: o EQ43 o EQ279
[ TS573 ] Animation
C1 ENERGY= 609.4 kJ/mol Energy+ZPE= 571.5 kJ/mol ZPE= 0.0497092 CONNECTIONS: o EQ43 o DDC114
[ TS574 ] Animation
Cs ENERGY= 621.6 kJ/mol Energy+ZPE= 599.8 kJ/mol ZPE= 0.0558310 CONNECTIONS: o EQ44 o EQ44
[ TS575 ] Animation
C1 ENERGY= 297.5 kJ/mol Energy+ZPE= 289.9 kJ/mol ZPE= 0.0612483 CONNECTIONS: o EQ44 o EQ52
[ TS576 ] Animation
C1 ENERGY= 312.6 kJ/mol Energy+ZPE= 305.0 kJ/mol ZPE= 0.0612302 CONNECTIONS: o EQ44 o EQ52
[ TS577 ] Animation
C1 ENERGY= 318.0 kJ/mol Energy+ZPE= 309.9 kJ/mol ZPE= 0.0610624 CONNECTIONS: o EQ44 o EQ52
[ TS578 ] Animation
C1 ENERGY= 582.1 kJ/mol Energy+ZPE= 566.8 kJ/mol ZPE= 0.0583054 CONNECTIONS: o EQ44 o EQ63
[ TS579 ] Animation
C1 ENERGY= 600.0 kJ/mol Energy+ZPE= 576.6 kJ/mol ZPE= 0.0552374 CONNECTIONS: o EQ44 o EQ105
[ TS580 ] Animation
C1 ENERGY= 607.7 kJ/mol Energy+ZPE= 589.4 kJ/mol ZPE= 0.0571639 CONNECTIONS: o EQ44 o EQ127
[ TS581 ] Animation
C1 ENERGY= 521.5 kJ/mol Energy+ZPE= 504.5 kJ/mol ZPE= 0.0576581 CONNECTIONS: o EQ44 o EQ132
[ TS582 ] Animation
C1 ENERGY= 521.0 kJ/mol Energy+ZPE= 494.2 kJ/mol ZPE= 0.0539420 CONNECTIONS: o EQ44 o EQ156
[ TS583 ] Animation
C1 ENERGY= 692.6 kJ/mol Energy+ZPE= 671.1 kJ/mol ZPE= 0.0559324 CONNECTIONS: o EQ44 o EQ190
[ TS584 ] Animation
C1 ENERGY= 692.7 kJ/mol Energy+ZPE= 670.5 kJ/mol ZPE= 0.0556594 CONNECTIONS: o EQ44 o EQ190
[ TS585 ] Animation
C1 ENERGY= 585.6 kJ/mol Energy+ZPE= 571.9 kJ/mol ZPE= 0.0589308 CONNECTIONS: o EQ44 o EQ212
[ TS586 ] Animation
C1 ENERGY= 686.4 kJ/mol Energy+ZPE= 674.8 kJ/mol ZPE= 0.0597232 CONNECTIONS: o EQ44 o EQ236
[ TS587 ] Animation
C1 ENERGY= 734.2 kJ/mol Energy+ZPE= 716.9 kJ/mol ZPE= 0.0575462 CONNECTIONS: o EQ44 o EQ249
[ TS588 ] Animation
C1 ENERGY= 745.8 kJ/mol Energy+ZPE= 726.5 kJ/mol ZPE= 0.0567762 CONNECTIONS: o EQ44 o EQ250
[ TS589 ] Animation
C1 ENERGY= 545.9 kJ/mol Energy+ZPE= 522.9 kJ/mol ZPE= 0.0553790 CONNECTIONS: o EQ44 o DDC115
[ TS590 ] Animation
C1 ENERGY= 610.3 kJ/mol Energy+ZPE= 579.8 kJ/mol ZPE= 0.0525203 CONNECTIONS: o EQ44 o DDC116
[ TS591 ] Animation
C1 ENERGY= 711.2 kJ/mol Energy+ZPE= 664.3 kJ/mol ZPE= 0.0462646 CONNECTIONS: o EQ44 o DDC117
[ TS592 ] Animation
Cs ENERGY= 292.4 kJ/mol Energy+ZPE= 283.9 kJ/mol ZPE= 0.0609060 CONNECTIONS: o EQ45 o EQ45
[ TS593 ] Animation
Cs ENERGY= 534.5 kJ/mol Energy+ZPE= 512.0 kJ/mol ZPE= 0.0555576 CONNECTIONS: o EQ45 o EQ75
[ TS594 ] Animation
C1 ENERGY= 606.9 kJ/mol Energy+ZPE= 587.3 kJ/mol ZPE= 0.0566609 CONNECTIONS: o EQ45 o EQ90
[ TS595 ] Animation
C1 ENERGY= 601.2 kJ/mol Energy+ZPE= 578.7 kJ/mol ZPE= 0.0555437 CONNECTIONS: o EQ45 o EQ133
[ TS596 ] Animation
C1 ENERGY= 726.6 kJ/mol Energy+ZPE= 708.8 kJ/mol ZPE= 0.0573323 CONNECTIONS: o EQ45 o EQ251
[ TS597 ] Animation
C1 ENERGY= 666.1 kJ/mol Energy+ZPE= 629.5 kJ/mol ZPE= 0.0502082 CONNECTIONS: o EQ45 o DDC118
[ TS598 ] Animation
C1 ENERGY= 701.8 kJ/mol Energy+ZPE= 665.4 kJ/mol ZPE= 0.0502756 CONNECTIONS: o EQ45 o DDC119
[ TS599 ] Animation
C1 ENERGY= 333.0 kJ/mol Energy+ZPE= 326.3 kJ/mol ZPE= 0.0615782 CONNECTIONS: o EQ46 o EQ52
[ TS600 ] Animation
C1 ENERGY= 348.6 kJ/mol Energy+ZPE= 341.0 kJ/mol ZPE= 0.0612429 CONNECTIONS: o EQ46 o EQ52
[ TS601 ] Animation
C1 ENERGY= 537.9 kJ/mol Energy+ZPE= 512.8 kJ/mol ZPE= 0.0545818 CONNECTIONS: o EQ46 o EQ153
[ TS602 ] Animation
C1 ENERGY= 614.0 kJ/mol Energy+ZPE= 598.4 kJ/mol ZPE= 0.0581893 CONNECTIONS: o EQ46 o EQ222
[ TS603 ] Animation
C1 ENERGY= 616.8 kJ/mol Energy+ZPE= 591.6 kJ/mol ZPE= 0.0545472 CONNECTIONS: o EQ46 o EQ226
[ TS604 ] Animation
C1 ENERGY= 757.8 kJ/mol Energy+ZPE= 742.0 kJ/mol ZPE= 0.0580987 CONNECTIONS: o EQ46 o EQ242
[ TS605 ] Animation
C1 ENERGY= 741.2 kJ/mol Energy+ZPE= 725.7 kJ/mol ZPE= 0.0582233 CONNECTIONS: o EQ46 o EQ245
[ TS606 ] Animation
C1 ENERGY= 1014.7 kJ/mol Energy+ZPE= 990.0 kJ/mol ZPE= 0.0547133 CONNECTIONS: o EQ46 o EQ256
[ TS607 ] Animation
Cs ENERGY= 389.7 kJ/mol Energy+ZPE= 376.6 kJ/mol ZPE= 0.0591509 CONNECTIONS: o EQ47 o EQ57
[ TS608 ] Animation
C1 ENERGY= 595.2 kJ/mol Energy+ZPE= 573.5 kJ/mol ZPE= 0.0558482 CONNECTIONS: o EQ47 o EQ106
[ TS609 ] Animation
C1 ENERGY= 609.2 kJ/mol Energy+ZPE= 587.9 kJ/mol ZPE= 0.0560027 CONNECTIONS: o EQ47 o EQ212
[ TS610 ] Animation
C1 ENERGY= 613.7 kJ/mol Energy+ZPE= 590.9 kJ/mol ZPE= 0.0554641 CONNECTIONS: o EQ47 o EQ215
[ TS611 ] Animation
C1 ENERGY= 843.8 kJ/mol Energy+ZPE= 825.2 kJ/mol ZPE= 0.0570646 CONNECTIONS: o EQ47 o EQ284
[ TS612 ] Animation
C1 ENERGY= 547.6 kJ/mol Energy+ZPE= 521.4 kJ/mol ZPE= 0.0541621 CONNECTIONS: o EQ47 o DDC120
[ TS613 ] Animation
C1 ENERGY= 696.9 kJ/mol Energy+ZPE= 674.2 kJ/mol ZPE= 0.0554963 CONNECTIONS: o EQ48 o EQ48
[ TS614 ] Animation
C1 ENERGY= 397.0 kJ/mol Energy+ZPE= 383.2 kJ/mol ZPE= 0.0588729 CONNECTIONS: o EQ48 o EQ52
[ TS615 ] Animation
C1 ENERGY= 614.0 kJ/mol Energy+ZPE= 593.0 kJ/mol ZPE= 0.0561161 CONNECTIONS: o EQ48 o EQ105
[ TS616 ] Animation
C1 ENERGY= 725.9 kJ/mol Energy+ZPE= 707.5 kJ/mol ZPE= 0.0571388 CONNECTIONS: o EQ48 o EQ184
[ TS617 ] Animation
C1 ENERGY= 581.3 kJ/mol Energy+ZPE= 569.0 kJ/mol ZPE= 0.0594583 CONNECTIONS: o EQ48 o EQ208
[ TS618 ]