Reaction Routes of
H4CN2O
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/6-31G*
© 2009 Koichi OHNO
Explored: EQ303 TS2158
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
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
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
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
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
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
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
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
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
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
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 ]