Reaction Routes of
O4Si4
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/6-31G*
© 2009 Koichi OHNO
Explored: EQ914 TS4385
C2 ENERGY= 0.0 kJ/mol ( -1459.111550 Hartree)
Energy+ZPE= 0.0 kJ/mol ZPE= 0.0182565
CONNECTIONS:
o TS0 (860.8) o EQ0
o TS1 (858.3) o EQ0
o TS2 (826.8) o EQ0
o TS3 (759.3) o EQ0
o TS4 (748.9) o EQ0
o TS5 (720.0) o EQ0
o TS6 (719.9) o EQ0
o TS7 (672.8) o EQ0
o TS8 (665.8) o EQ0
o TS9 (665.1) o EQ0
o TS10 (665.1) o EQ0
o TS11 (664.9) o EQ0
o TS12 (660.5) o EQ0
o TS13 (660.0) o EQ0
o TS14 (650.0) o EQ0
o TS15 (641.0) o EQ0
o TS16 (615.3) o EQ0
o TS17 (376.7) o EQ0
o TS18 (368.0) o EQ0
o TS19 (347.1) o EQ0
o TS20 (303.7) o EQ0
o TS21 (180.4) o EQ0
o TS22 (174.3) o EQ0
o TS23 (171.9) o EQ0
o TS24 (104.5) o EQ0
o TS25 ( 8.3) o EQ0
o TS26 (746.5) o EQ1
o TS27 (464.0) o EQ1
o TS28 (386.4) o EQ1
o TS29 (150.4) o EQ1
o TS30 (146.5) o EQ1
o TS31 ( 94.3) o EQ1
o TS32 (684.2) o EQ2
o TS33 (648.7) o EQ2
o TS34 (298.3) o EQ2
o TS35 (256.1) o EQ2
o TS36 (109.2) o EQ3
o TS37 (343.5) o EQ4
o TS38 (341.3) o EQ4
o TS39 (334.9) o EQ4
o TS40 (290.9) o EQ4
o TS41 (282.2) o EQ4
o TS42 (140.5) o EQ5
o TS43 (719.3) o EQ6
o TS44 (669.8) o EQ6
o TS45 (492.1) o EQ6
o TS46 (361.4) o EQ6
o TS47 (136.7) o EQ6
o TS48 (681.4) o EQ7
o TS49 (661.2) o EQ7
o TS50 (661.2) o EQ12
o TS51 (661.1) o EQ12
o TS52 (205.6) o EQ12
o TS53 (201.8) o EQ13
o TS54 (659.0) o EQ15
o TS55 (256.9) o EQ15
o TS56 (675.7) o EQ17
o TS57 (655.3) o EQ17
o TS58 (208.9) o EQ17
o TS59 (307.3) o EQ19
o TS60 (671.1) o EQ22
o TS61 (306.0) o EQ25
o TS62 (295.8) o EQ25
o TS63 (281.1) o EQ30
o TS64 (695.0) o EQ31
o TS65 (776.6) o EQ33
o TS66 (729.5) o EQ33
o TS67 (492.6) o EQ39
o TS68 (737.0) o EQ49
o TS69 (280.6) o EQ49
o TS70 (388.9) o EQ53
o TS71 (369.7) o EQ59
o TS72 (310.1) o EQ66
o TS73 (392.4) o EQ70
o TS74 (746.8) o EQ98
o TS75 (374.8) o EQ106
o TS76 (973.1) o EQ119
o TS77 (526.1) o EQ147
o TS78 (576.8) o EQ184
o TS79 (725.5) o EQ186
o TS80 (683.4) o EQ186
o TS81 (647.3) o EQ186
o TS82 (611.9) o EQ186
o TS83 (604.4) o EQ186
o TS84 (757.6) o EQ190
o TS85 (686.2) o EQ193
o TS86 (686.1) o EQ193
o TS87 (614.8) o EQ197
o TS88 (632.2) o EQ200
o TS89 (812.4) o EQ204
o TS90 (759.4) o EQ204
o TS91 (666.3) o EQ204
o TS92 (639.1) o EQ207
o TS93 (696.8) o EQ208
o TS94 (650.6) o EQ211
o TS95 (619.9) o EQ211
o TS96 (696.7) o EQ212
o TS97 (672.9) o EQ212
o TS98 (650.8) o EQ212
o TS99 (620.1) o EQ212
o TS100 (749.5) o EQ217
o TS101 (713.8) o EQ219
o TS102 (677.0) o EQ219
o TS103 (676.5) o EQ219
o TS104 (676.2) o EQ219
o TS105 (670.5) o EQ219
o TS106 (845.6) o EQ220
o TS107 (673.0) o EQ220
o TS108 (664.7) o EQ224
o TS109 (708.8) o EQ227
o TS110 (741.4) o EQ229
o TS111 (734.1) o EQ229
o TS112 (656.1) o EQ230
o TS113 (647.9) o EQ230
o TS114 (670.5) o EQ232
o TS115 (670.4) o EQ232
o TS116 (636.7) o EQ233
o TS117 (670.8) o EQ234
o TS118 (637.0) o EQ236
o TS119 (637.2) o EQ237
o TS120 (690.8) o EQ241
o TS121 (659.8) o EQ242
o TS122 (739.0) o EQ243
o TS123 (670.7) o EQ243
o TS124 (670.5) o EQ243
o TS125 (639.6) o EQ243
o TS126 (639.5) o EQ243
o TS127 (719.7) o EQ245
o TS128 (709.1) o EQ252
o TS129 (695.0) o EQ252
o TS130 (648.7) o EQ252
o TS131 (741.7) o EQ254
o TS132 (739.3) o EQ254
o TS133 (665.1) o EQ254
o TS134 (662.7) o EQ254
o TS135 (662.9) o EQ255
o TS136 (755.2) o EQ256
o TS137 (714.5) o EQ256
o TS138 (711.3) o EQ256
o TS139 (707.0) o EQ256
o TS140 (667.7) o EQ258
o TS141 (652.4) o EQ261
o TS142 (750.4) o EQ263
o TS143 (711.3) o EQ264
o TS144 (653.1) o EQ264
o TS145 (648.9) o EQ264
o TS146 (682.6) o EQ268
o TS147 (663.1) o EQ270
o TS148 (654.6) o EQ272
o TS149 (655.0) o EQ274
o TS150 (798.5) o EQ275
o TS151 (732.0) o EQ275
o TS152 (655.3) o EQ276
o TS153 (655.2) o EQ276
o TS154 (712.4) o EQ280
o TS155 (708.8) o EQ283
o TS156 (852.5) o EQ284
o TS157 (660.3) o EQ285
o TS158 (660.9) o EQ288
o TS159 (687.1) o EQ290
o TS160 (687.2) o EQ291
o TS161 (662.4) o EQ294
o TS162 (667.5) o EQ298
o TS163 (667.3) o EQ298
o TS164 (677.8) o EQ305
o TS165 (670.3) o EQ305
o TS166 (714.9) o EQ306
o TS167 (696.9) o EQ306
o TS168 (677.7) o EQ306
o TS169 (672.3) o EQ306
o TS170 (668.1) o EQ307
o TS171 (732.3) o EQ309
o TS172 (678.4) o EQ309
o TS173 (670.2) o EQ311
o TS174 (677.9) o EQ313
o TS175 (677.7) o EQ313
o TS176 (754.7) o EQ314
o TS177 (695.7) o EQ321
o TS178 (671.9) o EQ321
o TS179 (672.1) o EQ323
o TS180 (671.9) o EQ323
o TS181 (695.9) o EQ324
o TS182 (771.8) o EQ329
o TS183 (828.4) o EQ333
o TS184 (698.2) o EQ342
o TS185 (760.0) o EQ344
o TS186 (759.9) o EQ344
o TS187 (773.8) o EQ345
o TS188 (708.8) o EQ345
o TS189 (757.0) o EQ346
o TS190 (756.8) o EQ346
o TS191 (704.3) o EQ346
o TS192 (701.9) o EQ346
o TS193 (690.9) o EQ353
o TS194 (727.1) o EQ364
o TS195 (759.4) o EQ370
o TS196 (757.1) o EQ370
o TS197 (740.5) o EQ370
o TS198 (848.3) o EQ371
o TS199 (734.8) o EQ371
o TS200 (718.9) o EQ371
o TS201 (731.4) o EQ376
o TS202 (741.8) o EQ377
o TS203 (720.6) o EQ389
o TS204 (707.2) o EQ389
o TS205 (707.0) o EQ389
o TS206 (726.3) o EQ391
o TS207 (709.3) o EQ393
o TS208 (734.6) o EQ396
o TS209 (728.0) o EQ401
o TS210 (719.5) o EQ404
o TS211 (723.1) o EQ408
o TS212 (720.7) o EQ418
o TS213 (736.9) o EQ420
o TS214 (730.5) o EQ420
o TS215 (759.7) o EQ428
o TS216 (784.7) o EQ432
o TS217 (843.9) o EQ434
o TS218 (807.2) o EQ450
o TS219 (744.1) o EQ450
o TS220 (748.7) o EQ459
o TS221 (746.0) o EQ459
o TS222 (761.8) o EQ475
o TS223 (761.3) o EQ476
o TS224 (783.1) o EQ488
o TS225 (793.7) o EQ506
o TS226 (772.7) o EQ510
o TS227 (866.5) o EQ521
o TS228 (773.8) o EQ534
o TS229 (773.7) o EQ534
o TS230 (827.2) o EQ567
o TS231 (792.6) o EQ574
o TS232 (792.5) o EQ575
o TS233 (815.0) o EQ592
o TS234 (797.1) o EQ602
o TS235 (871.7) o EQ610
o TS236 (841.2) o EQ615
o TS237 (810.0) o EQ629
o TS238 (808.7) o EQ629
o TS239 (853.0) o EQ630
o TS240 (887.5) o EQ648
o TS241 (844.2) o EQ689
o TS242 (836.4) o EQ709
o TS243 (835.9) o EQ709
o TS244 (855.9) o EQ752
o TS245 (953.2) o EQ776
o TS246 (876.9) o EQ786
o TS247 (979.6) o EQ857
o TS248 (832.7) o DDC0
o TS249 (823.6) o DDC1
o TS250 (797.4) o DDC2
o TS251 (794.5) o DDC3
o TS252 (780.5) o DDC4
o TS253 (771.4) o DDC5
o TS254 (771.3) o DDC6
o TS255 (755.7) o DDC7
o TS256 (693.3) o DDC8
o TS257 (585.1) o DDC9
Cs ENERGY= 56.7 kJ/mol ( -1459.089950 Hartree)
Energy+ZPE= 61.8 kJ/mol ZPE= 0.0202080
CONNECTIONS:
o TS26 (746.5) o EQ0
o TS27 (464.0) o EQ0
o TS28 (386.4) o EQ0
o TS29 (150.4) o EQ0
o TS30 (146.5) o EQ0
o TS31 ( 94.3) o EQ0
o TS258 (844.2) o EQ1
o TS259 (691.1) o EQ1
o TS260 (325.0) o EQ1
o TS261 (260.7) o EQ1
o TS262 (216.0) o EQ1
o TS263 (366.5) o EQ4
o TS264 (332.0) o EQ4
o TS265 (594.2) o EQ6
o TS266 (325.8) o EQ6
o TS267 (150.7) o EQ7
o TS268 (198.8) o EQ10
o TS269 (189.7) o EQ10
o TS270 (240.5) o EQ11
o TS271 (333.6) o EQ12
o TS272 (309.5) o EQ13
o TS273 (306.4) o EQ13
o TS274 (214.3) o EQ13
o TS275 (375.0) o EQ28
o TS276 (729.5) o EQ29
o TS277 (722.0) o EQ29
o TS278 (496.8) o EQ29
o TS279 (289.5) o EQ29
o TS280 (279.7) o EQ30
o TS281 (390.4) o EQ33
o TS282 (314.7) o EQ34
o TS283 (307.5) o EQ36
o TS284 (411.0) o EQ37
o TS285 (571.4) o EQ41
o TS286 (500.1) o EQ50
o TS287 (493.2) o EQ59
o TS288 (335.2) o EQ61
o TS289 (312.3) o EQ66
o TS290 (315.8) o EQ71
o TS291 (326.9) o EQ78
o TS292 (332.3) o EQ82
o TS293 (478.9) o EQ86
o TS294 (445.2) o EQ86
o TS295 (414.8) o EQ105
o TS296 (477.8) o EQ110
o TS297 (463.4) o EQ155
o TS298 (512.0) o EQ156
o TS299 (573.7) o EQ183
o TS300 (668.3) o EQ197
o TS301 (608.5) o EQ202
o TS302 (608.6) o EQ203
o TS303 (643.6) o EQ204
o TS304 (634.8) o EQ204
o TS305 (634.3) o EQ204
o TS306 (640.2) o EQ207
o TS307 (637.4) o EQ213
o TS308 (660.5) o EQ215
o TS309 (732.8) o EQ219
o TS310 (700.8) o EQ224
o TS311 (673.1) o EQ230
o TS312 (757.5) o EQ231
o TS313 (757.4) o EQ231
o TS314 (680.0) o EQ247
o TS315 (719.1) o EQ252
o TS316 (715.6) o EQ252
o TS317 (728.3) o EQ288
o TS318 (682.6) o EQ288
o TS319 (667.6) o EQ288
o TS320 (668.3) o EQ298
o TS321 (668.2) o EQ298
o TS322 (1064.4) o EQ318
o TS323 (682.3) o EQ320
o TS324 (676.9) o EQ332
o TS325 (726.6) o EQ390
o TS326 (728.1) o EQ409
o TS327 (786.7) o EQ442
o TS328 (781.6) o EQ473
o TS329 (822.9) o EQ475
o TS330 (774.0) o EQ500
o TS331 (768.3) o EQ500
o TS332 (769.9) o EQ507
o TS333 (908.1) o EQ513
o TS334 (860.3) o EQ541
o TS335 (784.5) o EQ560
o TS336 (849.7) o EQ609
o TS337 (829.6) o EQ613
o TS338 (809.5) o EQ630
o TS339 (910.2) o EQ715
o TS340 (855.9) o EQ755
o TS341 (868.6) o EQ776
o TS342 (856.0) o DDC10
o TS343 (287.8) o DDC11
Cs ENERGY= 76.0 kJ/mol ( -1459.082599 Hartree)
Energy+ZPE= 80.0 kJ/mol ZPE= 0.0197751
CONNECTIONS:
o TS32 (684.2) o EQ0
o TS33 (648.7) o EQ0
o TS34 (298.3) o EQ0
o TS35 (256.1) o EQ0
o TS344 (757.4) o EQ2
o TS345 (386.0) o EQ2
o TS346 (349.9) o EQ2
o TS347 (297.5) o EQ2
o TS348 (234.5) o EQ2
o TS349 (455.1) o EQ4
o TS350 (302.1) o EQ4
o TS351 (298.2) o EQ4
o TS352 (230.2) o EQ4
o TS353 (829.1) o EQ6
o TS354 (476.1) o EQ6
o TS355 (366.2) o EQ6
o TS356 (141.0) o EQ6
o TS357 (806.1) o EQ7
o TS358 (224.5) o EQ7
o TS359 (224.4) o EQ7
o TS360 (138.5) o EQ7
o TS361 (815.6) o EQ12
o TS362 (810.8) o EQ12
o TS363 (795.1) o EQ12
o TS364 (354.9) o EQ12
o TS365 (313.7) o EQ12
o TS366 (347.7) o EQ13
o TS367 (463.2) o EQ16
o TS368 (664.6) o EQ17
o TS369 (208.3) o EQ17
o TS370 (232.5) o EQ27
o TS371 (374.3) o EQ31
o TS372 (357.2) o EQ31
o TS373 (694.5) o EQ34
o TS374 (460.7) o EQ39
o TS375 (388.6) o EQ39
o TS376 (388.4) o EQ39
o TS377 (334.1) o EQ41
o TS378 (354.7) o EQ42
o TS379 (275.2) o EQ43
o TS380 (768.5) o EQ45
o TS381 (341.1) o EQ45
o TS382 (339.0) o EQ45
o TS383 (306.3) o EQ48
o TS384 (286.1) o EQ57
o TS385 (798.0) o EQ58
o TS386 (447.3) o EQ58
o TS387 (439.1) o EQ58
o TS388 (329.6) o EQ58
o TS389 (473.8) o EQ59
o TS390 (340.0) o EQ61
o TS391 (827.1) o EQ62
o TS392 (354.4) o EQ64
o TS393 (309.2) o EQ65
o TS394 (330.2) o EQ66
o TS395 (322.3) o EQ66
o TS396 (477.9) o EQ70
o TS397 (935.3) o EQ72
o TS398 (515.7) o EQ72
o TS399 (490.5) o EQ72
o TS400 (489.2) o EQ72
o TS401 (341.3) o EQ76
o TS402 (341.1) o EQ76
o TS403 (330.8) o EQ82
o TS404 (696.1) o EQ88
o TS405 (349.9) o EQ91
o TS406 (374.2) o EQ106
o TS407 (368.9) o EQ106
o TS408 (431.8) o EQ122
o TS409 (422.2) o EQ122
o TS410 (812.9) o EQ125
o TS411 (454.6) o EQ148
o TS412 (512.5) o EQ156
o TS413 (665.0) o EQ192
o TS414 (664.9) o EQ192
o TS415 (713.8) o EQ193
o TS416 (693.7) o EQ197
o TS417 (681.2) o EQ199
o TS418 (669.7) o EQ207
o TS419 (717.4) o EQ219
o TS420 (754.9) o EQ226
o TS421 (727.6) o EQ236
o TS422 (693.1) o EQ244
o TS423 (759.2) o EQ245
o TS424 (715.9) o EQ250
o TS425 (675.1) o EQ256
o TS426 (706.1) o EQ265
o TS427 (672.6) o EQ265
o TS428 (918.9) o EQ277
o TS429 (660.6) o EQ280
o TS430 (657.7) o EQ280
o TS431 (700.0) o EQ283
o TS432 (657.8) o EQ283
o TS433 (701.4) o EQ291
o TS434 (683.2) o EQ292
o TS435 (683.0) o EQ292
o TS436 (691.2) o EQ301
o TS437 (715.9) o EQ311
o TS438 (706.4) o EQ317
o TS439 (706.2) o EQ317
o TS440 (696.5) o EQ317
o TS441 (696.3) o EQ317
o TS442 (678.1) o EQ318
o TS443 (726.2) o EQ329
o TS444 (675.9) o EQ334
o TS445 (682.6) o EQ336
o TS446 (916.0) o EQ338
o TS447 (690.1) o EQ338
o TS448 (769.9) o EQ356
o TS449 (707.1) o EQ356
o TS450 (707.3) o EQ357
o TS451 (811.5) o EQ370
o TS452 (707.3) o EQ374
o TS453 (702.8) o EQ374
o TS454 (733.0) o EQ380
o TS455 (765.2) o EQ385
o TS456 (714.7) o EQ385
o TS457 (789.7) o EQ386
o TS458 (845.9) o EQ394
o TS459 (714.6) o EQ394
o TS460 (725.5) o EQ418
o TS461 (755.5) o EQ429
o TS462 (755.4) o EQ429
o TS463 (863.6) o EQ437
o TS464 (768.0) o EQ445
o TS465 (764.9) o EQ445
o TS466 (747.1) o EQ445
o TS467 (844.0) o EQ446
o TS468 (996.6) o EQ450
o TS469 (814.7) o EQ463
o TS470 (807.2) o EQ483
o TS471 (762.9) o EQ483
o TS472 (762.0) o EQ483
o TS473 (793.2) o EQ484
o TS474 (814.4) o EQ508
o TS475 (765.5) o EQ508
o TS476 (791.9) o EQ526
o TS477 (880.4) o EQ562
o TS478 (880.3) o EQ562
o TS479 (820.6) o EQ577
o TS480 (826.4) o EQ612
o TS481 (865.5) o EQ630
o TS482 (856.9) o EQ630
o TS483 (823.2) o EQ670
o TS484 (861.7) o EQ718
o TS485 (921.4) o EQ832
o TS486 (783.2) o DDC12
o TS487 (472.9) o DDC13
o TS488 (463.3) o DDC14
Td ENERGY= 81.5 kJ/mol ( -1459.080494 Hartree)
Energy+ZPE= 83.7 kJ/mol ZPE= 0.0190755
CONNECTIONS:
o TS36 (109.2) o EQ0
o TS489 (664.5) o EQ279
C2v ENERGY= 96.7 kJ/mol ( -1459.074729 Hartree)
Energy+ZPE= 103.9 kJ/mol ZPE= 0.0210107
CONNECTIONS:
o TS37 (343.5) o EQ0
o TS38 (341.3) o EQ0
o TS39 (334.9) o EQ0
o TS40 (290.9) o EQ0
o TS41 (282.2) o EQ0
o TS263 (366.5) o EQ1
o TS264 (332.0) o EQ1
o TS349 (455.1) o EQ2
o TS350 (302.1) o EQ2
o TS351 (298.2) o EQ2
o TS352 (230.2) o EQ2
o TS490 (419.9) o EQ4
o TS491 (347.8) o EQ4
o TS492 (333.9) o EQ4
o TS493 (322.9) o EQ4
o TS494 (322.7) o EQ4
o TS495 (302.7) o EQ4
o TS496 (259.9) o EQ4
o TS497 (248.9) o EQ4
o TS498 (239.8) o EQ4
o TS499 (220.8) o EQ5
o TS500 (374.4) o EQ6
o TS501 (371.2) o EQ6
o TS502 (184.4) o EQ11
o TS503 (623.5) o EQ16
o TS504 (255.3) o EQ16
o TS505 (208.1) o EQ19
o TS506 (208.2) o EQ20
o TS507 (478.9) o EQ22
o TS508 (354.6) o EQ23
o TS509 (353.3) o EQ23
o TS510 (292.7) o EQ30
o TS511 (350.2) o EQ37
o TS512 (350.1) o EQ37
o TS513 (331.9) o EQ37
o TS514 (541.8) o EQ39
o TS515 (368.6) o EQ43
o TS516 (347.5) o EQ43
o TS517 (331.0) o EQ43
o TS518 (316.9) o EQ43
o TS519 (313.5) o EQ44
o TS520 (294.3) o EQ48
o TS521 (292.5) o EQ48
o TS522 (292.1) o EQ48
o TS523 (859.8) o EQ50
o TS524 (317.2) o EQ51
o TS525 (317.1) o EQ51
o TS526 (279.8) o EQ51
o TS527 (493.6) o EQ59
o TS528 (355.1) o EQ61
o TS529 (319.3) o EQ61
o TS530 (319.2) o EQ61
o TS531 (306.1) o EQ61
o TS532 (300.2) o EQ61
o TS533 (312.1) o EQ62
o TS534 (366.6) o EQ68
o TS535 (540.8) o EQ72
o TS536 (357.8) o EQ74
o TS537 (358.0) o EQ75
o TS538 (412.0) o EQ87
o TS539 (336.0) o EQ89
o TS540 (432.3) o EQ94
o TS541 (386.3) o EQ108
o TS542 (446.3) o EQ122
o TS543 (446.2) o EQ122
o TS544 (427.4) o EQ135
o TS545 (492.6) o EQ163
o TS546 (648.5) o EQ197
o TS547 (727.8) o EQ348
o TS548 (895.8) o EQ349
o TS549 (698.9) o EQ358
o TS550 (709.0) o EQ369
o TS551 (928.1) o EQ375
o TS552 (745.6) o EQ377
Cs ENERGY= 125.0 kJ/mol ( -1459.063951 Hartree)
Energy+ZPE= 124.1 kJ/mol ZPE= 0.0179318
CONNECTIONS:
o TS42 (140.5) o EQ0
o TS499 (220.8) o EQ4
o TS553 (747.3) o EQ6
o TS554 (146.1) o EQ6
o TS555 (146.0) o EQ6
o TS556 (622.0) o EQ7
o TS557 (147.1) o EQ7
o TS558 (736.2) o EQ12
o TS559 (696.5) o EQ12
o TS560 (298.9) o EQ37
o TS561 (597.5) o EQ185
o TS562 (603.8) o EQ186
o TS563 (597.6) o EQ186
o TS564 (849.6) o EQ212
o TS565 (658.2) o EQ215
o TS566 (634.6) o EQ216
o TS567 (634.8) o EQ217
o TS568 (636.7) o EQ226
o TS569 (647.6) o EQ247
o TS570 (647.4) o EQ247
o TS571 (753.8) o EQ311
o TS572 (703.7) o EQ379
C1 ENERGY= 131.6 kJ/mol ( -1459.061442 Hartree)
Energy+ZPE= 130.3 kJ/mol ZPE= 0.0177493
CONNECTIONS:
o TS43 (719.3) o EQ0
o TS44 (669.8) o EQ0
o TS45 (492.1) o EQ0
o TS46 (361.4) o EQ0
o TS47 (136.7) o EQ0
o TS265 (594.2) o EQ1
o TS266 (325.8) o EQ1
o TS353 (829.1) o EQ2
o TS354 (476.1) o EQ2
o TS355 (366.2) o EQ2
o TS356 (141.0) o EQ2
o TS500 (374.4) o EQ4
o TS501 (371.2) o EQ4
o TS553 (747.3) o EQ5
o TS554 (146.1) o EQ5
o TS555 (146.0) o EQ5
o TS573 (740.2) o EQ6
o TS574 (391.9) o EQ6
o TS575 (285.0) o EQ6
o TS576 (135.9) o EQ6
o TS577 (141.9) o EQ7
o TS578 (672.9) o EQ17
o TS579 (224.8) o EQ27
o TS580 (224.9) o EQ28
o TS581 (438.1) o EQ36
o TS582 (495.3) o EQ37
o TS583 (778.5) o EQ39
o TS584 (486.0) o EQ39
o TS585 (807.9) o EQ40
o TS586 (340.0) o EQ48
o TS587 (322.4) o EQ48
o TS588 (368.2) o EQ49
o TS589 (353.5) o EQ57
o TS590 (377.0) o EQ69
o TS591 (320.0) o EQ71
o TS592 (897.9) o EQ124
o TS593 (582.5) o EQ161
o TS594 (617.0) o EQ192
o TS595 (590.7) o EQ192
o TS596 (590.6) o EQ192
o TS597 (830.5) o EQ215
o TS598 (905.5) o EQ226
o TS599 (668.6) o EQ232
o TS600 (644.0) o EQ232
o TS601 (803.1) o EQ252
o TS602 (714.9) o EQ253
o TS603 (714.8) o EQ253
o TS604 (778.3) o EQ341
o TS605 (738.3) o EQ376
o TS606 (740.1) o EQ377
o TS607 (722.8) o EQ389
o TS608 (802.1) o EQ446
o TS609 (763.0) o EQ475
o TS610 (760.0) o EQ476
o TS611 (788.1) o EQ500
o TS612 (766.3) o EQ510
o TS613 (845.5) o EQ538
o TS614 (832.0) o EQ538
o TS615 (817.7) o EQ611
o TS616 (804.2) o EQ616
o TS617 (806.9) o EQ629
o TS618 (903.5) o EQ671
o TS619 (851.9) o EQ735
o TS620 (803.9) o DDC15
o TS621 (768.6) o DDC16
o TS622 (610.6) o DDC17
o TS623 (584.9) o DDC18
C1 ENERGY= 133.8 kJ/mol ( -1459.060602 Hartree)
Energy+ZPE= 134.3 kJ/mol ZPE= 0.0184523
CONNECTIONS:
o TS48 (681.4) o EQ0
o TS49 (661.2) o EQ0
o TS267 (150.7) o EQ1
o TS357 (806.1) o EQ2
o TS358 (224.5) o EQ2
o TS359 (224.4) o EQ2
o TS360 (138.5) o EQ2
o TS556 (622.0) o EQ5
o TS557 (147.1) o EQ5
o TS577 (141.9) o EQ6
o TS624 (247.4) o EQ12
o TS625 (214.8) o EQ12
o TS626 (212.7) o EQ13
o TS627 (714.0) o EQ17
o TS628 (313.6) o EQ70
o TS629 (343.2) o EQ80
o TS630 (608.2) o EQ195
o TS631 (711.5) o EQ199
o TS632 (610.0) o EQ200
o TS633 (610.2) o EQ201
o TS634 (654.6) o EQ204
o TS635 (634.2) o EQ227
o TS636 (630.4) o EQ227
o TS637 (630.3) o EQ227
o TS638 (641.7) o EQ236
o TS639 (641.6) o EQ236
o TS640 (638.2) o EQ244
o TS641 (638.3) o EQ245
o TS642 (689.6) o EQ254
o TS643 (657.9) o EQ282
o TS644 (840.0) o EQ288
o TS645 (699.3) o EQ311
o TS646 (702.8) o EQ318
o TS647 (677.2) o EQ335
o TS648 (738.0) o EQ348
o TS649 (744.3) o EQ352
o TS650 (744.2) o EQ352
o TS651 (720.7) o EQ407
o TS652 (722.6) o EQ419
o TS653 (742.4) o EQ443
o TS654 (812.9) o EQ592
C1 ENERGY= 163.4 kJ/mol ( -1459.049331 Hartree)
Energy+ZPE= 160.8 kJ/mol ZPE= 0.0172547
CONNECTIONS:
o TS655 (803.6) o EQ390
o TS656 (811.4) o EQ473
o TS657 (792.3) o EQ473
o TS658 (860.1) o EQ706
o TS659 (799.2) o DDC19
o TS660 (163.6) o DDC20
C2h ENERGY= 167.1 kJ/mol ( -1459.047910 Hartree)
Energy+ZPE= 169.0 kJ/mol ZPE= 0.0189760
CONNECTIONS:
o UDC0 o
C2h ENERGY= 167.2 kJ/mol ( -1459.047859 Hartree)
Energy+ZPE= 169.0 kJ/mol ZPE= 0.0189336
CONNECTIONS:
o TS268 (198.8) o EQ1
o TS269 (189.7) o EQ1
o TS661 (205.8) o EQ14
o TS662 (363.9) o EQ25
o TS663 (703.2) o EQ360
o TS664 (723.2) o EQ384
[ EQ11 ] C2v ENERGY= 178.0 kJ/mol ( -1459.043744 Hartree)
Energy+ZPE= 182.6 kJ/mol ZPE= 0.0200133
CONNECTIONS:
o TS270 (240.5) o EQ1
o TS502 (184.4) o EQ4
o TS665 (872.3) o EQ12
o TS666 (407.2) o EQ62
o TS667 (473.9) o EQ130
o TS668 (599.0) o EQ197
[ EQ12 ] C1 ENERGY= 191.0 kJ/mol ( -1459.038793 Hartree)
Energy+ZPE= 191.0 kJ/mol ZPE= 0.0182452
CONNECTIONS:
o TS50 (661.2) o EQ0
o TS51 (661.1) o EQ0
o TS52 (205.6) o EQ0
o TS271 (333.6) o EQ1
o TS361 (815.6) o EQ2
o TS362 (810.8) o EQ2
o TS363 (795.1) o EQ2
o TS364 (354.9) o EQ2
o TS365 (313.7) o EQ2
o TS558 (736.2) o EQ5
o TS559 (696.5) o EQ5
o TS624 (247.4) o EQ7
o TS625 (214.8) o EQ7
o TS665 (872.3) o EQ11
o TS669 (865.7) o EQ12
o TS670 (822.7) o EQ12
o TS671 (818.7) o EQ12
o TS672 (812.1) o EQ12
o TS673 (811.9) o EQ12
o TS674 (807.6) o EQ12
o TS675 (807.1) o EQ12
o TS676 (770.9) o EQ12
o TS677 (768.6) o EQ12
o TS678 (759.9) o EQ12
o TS679 (759.2) o EQ12
o TS680 (759.1) o EQ12
o TS681 (706.1) o EQ12
o TS682 (588.4) o EQ12
o TS683 (587.8) o EQ12
o TS684 (539.4) o EQ12
o TS685 (534.0) o EQ12
o TS686 (304.3) o EQ12
o TS687 (292.0) o EQ12
o TS688 (192.7) o EQ12
o TS689 (391.7) o EQ13
o TS690 (229.2) o EQ13
o TS691 (796.5) o EQ15
o TS692 (744.5) o EQ15
o TS693 (214.0) o EQ15
o TS694 (213.9) o EQ15
o TS695 (706.7) o EQ23
o TS696 (310.5) o EQ23
o TS697 (224.1) o EQ25
o TS698 (893.9) o EQ29
o TS699 (786.2) o EQ29
o TS700 (503.9) o EQ30
o TS701 (396.1) o EQ31
o TS702 (424.5) o EQ34
o TS703 (901.7) o EQ40
o TS704 (934.6) o EQ43
o TS705 (519.6) o EQ44
o TS706 (536.1) o EQ45
o TS707 (448.5) o EQ45
o TS708 (435.7) o EQ46
o TS709 (275.1) o EQ46
o TS710 (289.8) o EQ52
o TS711 (305.7) o EQ53
o TS712 (304.4) o EQ53
o TS713 (291.0) o EQ60
o TS714 (305.7) o EQ64
o TS715 (321.1) o EQ70
o TS716 (313.8) o EQ70
o TS717 (479.6) o EQ76
o TS718 (348.9) o EQ78
o TS719 (331.5) o EQ83
o TS720 (331.3) o EQ83
o TS721 (337.7) o EQ84
o TS722 (344.7) o EQ86
o TS723 (689.5) o EQ88
o TS724 (346.9) o EQ88
o TS725 (338.7) o EQ90
o TS726 (340.5) o EQ91
o TS727 (340.5) o EQ91
o TS728 (370.6) o EQ93
o TS729 (363.2) o EQ93
o TS730 (351.0) o EQ95
o TS731 (442.6) o EQ98
o TS732 (378.7) o EQ100
o TS733 (378.5) o EQ101
o TS734 (785.1) o EQ108
o TS735 (410.5) o EQ112
o TS736 (511.8) o EQ114
o TS737 (410.4) o EQ118
o TS738 (414.4) o EQ119
o TS739 (466.4) o EQ126
o TS740 (532.7) o EQ127
o TS741 (627.7) o EQ134
o TS742 (434.6) o EQ136
o TS743 (520.0) o EQ145
o TS744 (489.7) o EQ147
o TS745 (568.7) o EQ154
o TS746 (458.9) o EQ154
o TS747 (794.5) o EQ170
o TS748 (842.4) o EQ189
o TS749 (816.9) o EQ190
o TS750 (800.8) o EQ204
o TS751 (654.7) o EQ208
o TS752 (642.9) o EQ208
o TS753 (725.5) o EQ217
o TS754 (643.1) o EQ242
o TS755 (637.3) o EQ244
o TS756 (637.4) o EQ245
o TS757 (714.2) o EQ252
o TS758 (699.8) o EQ256
o TS759 (673.6) o EQ256
o TS760 (669.0) o EQ257
o TS761 (839.0) o EQ275
o TS762 (761.7) o EQ275
o TS763 (664.8) o EQ276
o TS764 (739.0) o EQ278
o TS765 (656.4) o EQ287
o TS766 (888.1) o EQ301
o TS767 (723.4) o EQ303
o TS768 (834.8) o EQ312
o TS769 (788.8) o EQ312
o TS770 (727.8) o EQ312
o TS771 (719.7) o EQ338
o TS772 (697.4) o EQ338
o TS773 (767.1) o EQ341
o TS774 (694.7) o EQ354
o TS775 (723.1) o EQ374
o TS776 (782.6) o EQ380
o TS777 (792.3) o EQ386
o TS778 (788.9) o EQ386
o TS779 (774.9) o EQ387
o TS780 (732.6) o EQ389
o TS781 (766.7) o EQ395
o TS782 (760.8) o EQ395
o TS783 (810.3) o EQ402
o TS784 (777.2) o EQ435
o TS785 (742.6) o EQ443
o TS786 (775.2) o EQ447
o TS787 (775.0) o EQ447
o TS788 (770.0) o EQ447
o TS789 (769.9) o EQ447
o TS790 (775.6) o EQ454
o TS791 (747.3) o EQ460
o TS792 (747.4) o EQ461
o TS793 (761.7) o EQ462
o TS794 (791.4) o EQ480
o TS795 (772.8) o EQ484
o TS796 (772.9) o EQ485
o TS797 (771.2) o EQ488
o TS798 (761.4) o EQ488
o TS799 (761.3) o EQ488
o TS800 (845.7) o EQ493
o TS801 (763.3) o EQ495
o TS802 (768.1) o EQ506
o TS803 (767.9) o EQ506
o TS804 (863.6) o EQ513
o TS805 (853.6) o EQ516
o TS806 (792.1) o EQ516
o TS807 (801.0) o EQ536
o TS808 (797.7) o EQ547
o TS809 (833.9) o EQ548
o TS810 (833.8) o EQ548
o TS811 (833.6) o EQ548
o TS812 (809.6) o EQ569
o TS813 (820.8) o EQ576
o TS814 (814.7) o EQ580
o TS815 (812.4) o EQ580
o TS816 (813.5) o EQ586
o TS817 (829.9) o EQ592
o TS818 (793.5) o EQ596
o TS819 (827.0) o EQ608
o TS820 (832.9) o EQ610
o TS821 (875.5) o EQ615
o TS822 (833.9) o EQ615
o TS823 (856.2) o EQ620
o TS824 (807.2) o EQ620
o TS825 (862.2) o EQ622
o TS826 (852.6) o EQ622
o TS827 (826.2) o EQ626
o TS828 (826.0) o EQ638
o TS829 (847.9) o EQ640
o TS830 (833.0) o EQ654
o TS831 (949.2) o EQ658
o TS832 (826.4) o EQ664
o TS833 (836.2) o EQ671
o TS834 (837.2) o EQ682
o TS835 (839.3) o EQ703
o TS836 (842.6) o EQ705
o TS837 (848.0) o EQ715
o TS838 (847.8) o EQ715
o TS839 (842.6) o EQ715
o TS840 (849.8) o EQ718
o TS841 (863.2) o EQ719
o TS842 (887.8) o EQ724
o TS843 (872.9) o EQ726
o TS844 (856.4) o EQ742
o TS845 (863.8) o EQ751
o TS846 (1257.2) o EQ913
o TS847 (900.8) o DDC21
o TS848 (898.2) o DDC22
o TS849 (886.2) o DDC23
o TS850 (817.4) o DDC24
o TS851 (807.7) o DDC25
o TS852 (803.6) o DDC26
o TS853 (800.2) o DDC27
o TS854 (467.7) o DDC28
o TS855 (462.3) o DDC29
o TS856 (446.0) o DDC30
o TS857 (223.5) o DDC31
o UDC1 o
[ EQ13 ] Cs ENERGY= 199.2 kJ/mol ( -1459.035662 Hartree)
Energy+ZPE= 199.4 kJ/mol ZPE= 0.0183144
CONNECTIONS:
o TS53 (201.8) o EQ0
o TS272 (309.5) o EQ1
o TS273 (306.4) o EQ1
o TS274 (214.3) o EQ1
o TS366 (347.7) o EQ2
o TS626 (212.7) o EQ7
o TS689 (391.7) o EQ12
o TS690 (229.2) o EQ12
o TS858 (696.9) o EQ22
o TS859 (305.5) o EQ38
o TS860 (403.8) o EQ57
o TS861 (496.1) o EQ61
o TS862 (359.6) o EQ86
o TS863 (700.8) o EQ205
o TS864 (662.7) o EQ257
o TS865 (728.2) o EQ292
o TS866 (819.4) o EQ590
o UDC2 o
[ EQ14 ] C2v ENERGY= 204.7 kJ/mol ( -1459.033588 Hartree)
Energy+ZPE= 207.0 kJ/mol ZPE= 0.0191203
CONNECTIONS:
o TS661 (205.8) o EQ10
o TS867 (303.1) o EQ33
o TS868 (660.7) o EQ262
o TS869 (704.3) o EQ360
[ EQ15 ] C1 ENERGY= 204.8 kJ/mol ( -1459.033530 Hartree)
Energy+ZPE= 207.0 kJ/mol ZPE= 0.0191034
CONNECTIONS:
o TS54 (659.0) o EQ0
o TS55 (256.9) o EQ0
o TS691 (796.5) o EQ12
o TS692 (744.5) o EQ12
o TS693 (214.0) o EQ12
o TS694 (213.9) o EQ12
o TS870 (815.9) o EQ15
o TS871 (282.6) o EQ29
o TS872 (363.4) o EQ31
o TS873 (318.9) o EQ31
o TS874 (237.3) o EQ32
o TS875 (459.2) o EQ33
o TS876 (403.8) o EQ87
o TS877 (515.7) o EQ93
o TS878 (527.1) o EQ94
o TS879 (479.2) o EQ141
o TS880 (461.1) o EQ151
o TS881 (812.5) o EQ208
o TS882 (673.9) o EQ266
o TS883 (663.6) o EQ270
o TS884 (703.7) o EQ294
o TS885 (678.9) o EQ294
o TS886 (844.7) o EQ297
o TS887 (794.3) o EQ312
o TS888 (834.3) o EQ320
o TS889 (810.5) o EQ361
o TS890 (751.4) o EQ406
o TS891 (823.4) o EQ434
o TS892 (798.9) o EQ474
o TS893 (786.9) o EQ515
o TS894 (774.7) o EQ515
o TS895 (787.1) o EQ516
o TS896 (774.8) o EQ516
o TS897 (815.2) o EQ643
o TS898 (911.1) o EQ760
o TS899 (933.1) o EQ840
o TS900 (241.4) o DDC32
o UDC3 o
[ EQ16 ] Cs ENERGY= 206.8 kJ/mol ( -1459.032799 Hartree)
Energy+ZPE= 214.2 kJ/mol ZPE= 0.0210603
CONNECTIONS:
o TS367 (463.2) o EQ2
o TS503 (623.5) o EQ4
o TS504 (255.3) o EQ4
o TS901 (361.3) o EQ16
o TS902 (569.0) o EQ58
o TS903 (437.9) o EQ109
o TS904 (413.7) o EQ123
o TS905 (713.4) o EQ142
o TS906 (537.7) o EQ150
o TS907 (572.3) o EQ175
o TS908 (532.2) o EQ176
o TS909 (615.7) o EQ205
o TS910 (613.6) o EQ205
o TS911 (707.1) o EQ358
o TS912 (696.6) o EQ358
o TS913 (695.7) o EQ358
o TS914 (778.1) o EQ413
o TS915 (759.0) o EQ487
o TS916 (758.1) o EQ487
o TS917 (840.3) o EQ624
o TS918 (824.9) o EQ636
o TS919 (496.0) o DDC33
o UDC4 o
[ EQ17 ] C1 ENERGY= 207.2 kJ/mol ( -1459.032628 Hartree)
Energy+ZPE= 207.7 kJ/mol ZPE= 0.0184406
CONNECTIONS:
o TS56 (675.7) o EQ0
o TS57 (655.3) o EQ0
o TS58 (208.9) o EQ0
o TS368 (664.6) o EQ2
o TS369 (208.3) o EQ2
o TS578 (672.9) o EQ6
o TS627 (714.0) o EQ7
o TS920 (779.4) o EQ17
o TS921 (669.1) o EQ31
o TS922 (669.0) o EQ31
o TS923 (674.4) o EQ314
o TS924 (711.7) o EQ401
o TS925 (719.3) o EQ419
o TS926 (835.5) o EQ678
[ EQ18 ] C2 ENERGY= 207.7 kJ/mol ( -1459.032439 Hartree)
Energy+ZPE= 211.9 kJ/mol ZPE= 0.0198701
CONNECTIONS:
[ EQ19 ] C2 ENERGY= 207.8 kJ/mol ( -1459.032391 Hartree)
Energy+ZPE= 212.0 kJ/mol ZPE= 0.0198506
CONNECTIONS:
o TS59 (307.3) o EQ0
o TS505 (208.1) o EQ4
o TS927 (410.8) o EQ31
o TS928 (496.5) o EQ39
o TS929 (327.4) o EQ41
o TS930 (316.3) o EQ41
o TS931 (304.6) o EQ50
o TS932 (322.1) o EQ68
o TS933 (815.2) o EQ647
o TS934 (871.9) o EQ678
[ EQ20 ] C2 ENERGY= 208.0 kJ/mol ( -1459.032328 Hartree)
Energy+ZPE= 212.1 kJ/mol ZPE= 0.0198216
CONNECTIONS:
o TS506 (208.2) o EQ4
[ EQ21 ] C3v ENERGY= 215.4 kJ/mol ( -1459.029496 Hartree)
Energy+ZPE= 219.7 kJ/mol ZPE= 0.0198947
CONNECTIONS:
o TS935 (431.6) o DDC34
o UDC5 o
[ EQ22 ] C3v ENERGY= 215.6 kJ/mol ( -1459.029439 Hartree)
Energy+ZPE= 219.8 kJ/mol ZPE= 0.0198585
CONNECTIONS:
o TS60 (671.1) o EQ0
o TS507 (478.9) o EQ4
o TS858 (696.9) o EQ13
o TS936 (310.7) o EQ39
o TS937 (321.4) o EQ54
o TS938 (413.9) o EQ72
o TS939 (401.2) o EQ96
o TS940 (656.0) o EQ113
o TS941 (500.0) o EQ117
o TS942 (494.8) o EQ163
o TS943 (544.0) o EQ177
o TS944 (764.7) o EQ186
o TS945 (666.4) o EQ201
o TS946 (676.3) o EQ219
o TS947 (671.0) o EQ219
o TS948 (645.2) o EQ226
o TS949 (939.7) o EQ242
o TS950 (705.9) o EQ282
o TS951 (669.0) o EQ311
o UDC6 o
[ EQ23 ] C3v ENERGY= 215.7 kJ/mol ( -1459.029392 Hartree)
Energy+ZPE= 219.9 kJ/mol ZPE= 0.0198379
CONNECTIONS:
o TS508 (354.6) o EQ4
o TS509 (353.3) o EQ4
o TS695 (706.7) o EQ12
o TS696 (310.5) o EQ12
o TS952 (682.9) o EQ23
o TS953 (417.4) o EQ23
o TS954 (329.8) o EQ41
o TS955 (327.3) o EQ51
o TS956 (321.6) o EQ55
o TS957 (338.2) o EQ75
o TS958 (411.5) o EQ87
o TS959 (392.2) o EQ87
o TS960 (828.5) o EQ101
o TS961 (382.2) o EQ107
o TS962 (382.3) o EQ109
o TS963 (435.3) o EQ117
o TS964 (796.0) o EQ192
o TS965 (653.4) o EQ199
o TS966 (666.6) o EQ200
o TS967 (728.0) o EQ217
o TS968 (673.4) o EQ219
o TS969 (669.0) o EQ219
o TS970 (641.3) o EQ223
o TS971 (645.0) o EQ226
o TS972 (699.3) o EQ293
o TS973 (694.5) o EQ317
o TS974 (694.3) o EQ317
o TS975 (714.3) o EQ369
o TS976 (791.2) o EQ394
o TS977 (729.9) o EQ414
o TS978 (768.7) o EQ484
o TS979 (768.9) o EQ485
o UDC7 o
[ EQ24 ] C3v ENERGY= 215.9 kJ/mol ( -1459.029336 Hartree)
Energy+ZPE= 220.0 kJ/mol ZPE= 0.0197992
CONNECTIONS:
o TS980 (961.3) o EQ29
o TS981 (827.7) o EQ50
o TS982 (361.4) o EQ50
o TS983 (810.7) o EQ386
o TS984 (902.5) o EQ440
o TS985 (878.3) o EQ639
[ EQ25 ] C1 ENERGY= 221.5 kJ/mol ( -1459.027180 Hartree)
Energy+ZPE= 222.1 kJ/mol ZPE= 0.0184887
CONNECTIONS:
o TS61 (306.0) o EQ0
o TS62 (295.8) o EQ0
o TS662 (363.9) o EQ10
o TS697 (224.1) o EQ12
o TS986 (351.5) o EQ25
o TS987 (411.6) o EQ30
o TS988 (398.7) o EQ33
o TS989 (377.8) o EQ33
o TS990 (275.5) o EQ33
o TS991 (291.4) o EQ49
o TS992 (368.1) o EQ53
o TS993 (478.9) o EQ79
o TS994 (338.7) o EQ84
o TS995 (339.8) o EQ90
o TS996 (415.4) o EQ112
o TS997 (514.4) o EQ138
o TS998 (491.3) o EQ144
o TS999 (677.0) o EQ204
o TS1000 (704.7) o EQ227
o TS1001 (721.1) o EQ263
o TS1002 (679.7) o EQ278
o TS1003 (676.5) o EQ315
o TS1004 (863.9) o EQ341
o TS1005 (852.1) o EQ449
o TS1006 (782.0) o EQ501
o TS1007 (782.2) o EQ502
o TS1008 (845.8) o EQ694
o TS1009 (771.3) o DDC35
o TS1010 (369.7) o DDC36
o TS1011 (358.9) o DDC37
o TS1012 (310.6) o DDC38
o UDC8 o
[ EQ26 ] C1 ENERGY= 221.7 kJ/mol ( -1459.027122 Hartree)
Energy+ZPE= 222.3 kJ/mol ZPE= 0.0184666
CONNECTIONS:
o TS1013 (305.6) o EQ31
o TS1014 (705.1) o EQ364
o TS1015 (712.6) o EQ379
o TS1016 (728.6) o EQ408
o TS1017 (810.2) o EQ442
o TS1018 (796.1) o EQ449
o TS1019 (829.0) o EQ623
o TS1020 (846.8) o EQ637
o TS1021 (837.5) o EQ666
[ EQ27 ] Cs ENERGY= 224.0 kJ/mol ( -1459.026222 Hartree)
Energy+ZPE= 228.1 kJ/mol ZPE= 0.0198341
CONNECTIONS:
o TS370 (232.5) o EQ2
o TS579 (224.8) o EQ6
o TS1022 (303.6) o EQ39
o TS1023 (332.3) o EQ54
o TS1024 (332.6) o EQ55
o TS1025 (372.9) o EQ98
o TS1026 (714.4) o EQ395
o TS1027 (819.2) o EQ578
[ EQ28 ] Cs ENERGY= 224.1 kJ/mol ( -1459.026176 Hartree)
Energy+ZPE= 228.2 kJ/mol ZPE= 0.0198134
CONNECTIONS:
o TS275 (375.0) o EQ1
o TS580 (224.9) o EQ6
[ EQ29 ] Cs ENERGY= 226.0 kJ/mol ( -1459.025467 Hartree)
Energy+ZPE= 229.8 kJ/mol ZPE= 0.0197111
CONNECTIONS:
o TS276 (729.5) o EQ1
o TS277 (722.0) o EQ1
o TS278 (496.8) o EQ1
o TS279 (289.5) o EQ1
o TS698 (893.9) o EQ12
o TS699 (786.2) o EQ12
o TS871 (282.6) o EQ15
o TS980 (961.3) o EQ24
o TS1028 (497.9) o EQ29
o TS1029 (791.0) o EQ30
o TS1030 (526.7) o EQ33
o TS1031 (862.8) o EQ36
o TS1032 (457.4) o EQ36
o TS1033 (321.1) o EQ65
o TS1034 (340.7) o EQ71
o TS1035 (365.0) o EQ86
o TS1036 (572.4) o EQ140
o TS1037 (527.5) o EQ149
o TS1038 (527.5) o EQ149
o TS1039 (711.1) o EQ252
o TS1040 (721.9) o EQ409
o TS1041 (721.7) o EQ412
o TS1042 (777.7) o EQ492
o TS1043 (761.4) o EQ492
o TS1044 (765.4) o EQ507
o TS1045 (803.3) o EQ520
o TS1046 (793.3) o EQ529
o TS1047 (828.0) o EQ595
o TS1048 (837.9) o EQ606
o TS1049 (851.3) o EQ659
o TS1050 (868.3) o EQ674
o TS1051 (886.2) o EQ682
o TS1052 (828.8) o EQ682
o TS1053 (871.7) o EQ727
o TS1054 (888.5) o EQ736
o TS1055 (852.9) o EQ736
o TS1056 (795.4) o DDC39
o TS1057 (268.3) o DDC40
o UDC9 o
[ EQ30 ] C1 ENERGY= 226.8 kJ/mol ( -1459.025162 Hartree)
Energy+ZPE= 231.1 kJ/mol ZPE= 0.0198807
CONNECTIONS:
o TS63 (281.1) o EQ0
o TS280 (279.7) o EQ1
o TS510 (292.7) o EQ4
o TS700 (503.9) o EQ12
o TS987 (411.6) o EQ25
o TS1029 (791.0) o EQ29
o TS1058 (501.7) o EQ30
o TS1059 (366.9) o EQ30
o TS1060 (333.2) o EQ30
o TS1061 (329.6) o EQ30
o TS1062 (318.8) o EQ30
o TS1063 (455.5) o EQ44
o TS1064 (337.1) o EQ66
o TS1065 (855.7) o EQ72
o TS1066 (363.7) o EQ103
o TS1067 (376.5) o EQ106
o TS1068 (606.5) o EQ126
o TS1069 (515.9) o EQ145
o TS1070 (668.8) o EQ231
o TS1071 (666.3) o EQ234
o TS1072 (734.9) o EQ326
o TS1073 (718.7) o EQ390
o TS1074 (718.5) o EQ390
o TS1075 (810.9) o EQ441
o TS1076 (817.8) o EQ463
o TS1077 (813.3) o EQ463
o TS1078 (787.6) o EQ497
o TS1079 (790.5) o EQ504
o TS1080 (809.3) o EQ539
o TS1081 (818.4) o EQ577
o TS1082 (822.2) o EQ584
o TS1083 (818.3) o EQ590
o TS1084 (823.3) o EQ600
o TS1085 (616.8) o DDC41
o TS1086 (515.8) o DDC42
[ EQ31 ] C1 ENERGY= 231.9 kJ/mol ( -1459.023217 Hartree)
Energy+ZPE= 235.5 kJ/mol ZPE= 0.0196406
CONNECTIONS:
o TS64 (695.0) o EQ0
o TS371 (374.3) o EQ2
o TS372 (357.2) o EQ2
o TS701 (396.1) o EQ12
o TS872 (363.4) o EQ15
o TS873 (318.9) o EQ15
o TS921 (669.1) o EQ17
o TS922 (669.0) o EQ17
o TS927 (410.8) o EQ19
o TS1013 (305.6) o EQ26
o TS1087 (388.9) o EQ31
o TS1088 (785.6) o EQ36
o TS1089 (267.5) o EQ36
o TS1090 (355.2) o EQ44
o TS1091 (530.5) o EQ45
o TS1092 (517.3) o EQ45
o TS1093 (304.1) o EQ49
o TS1094 (942.6) o EQ53
o TS1095 (369.0) o EQ53
o TS1096 (403.7) o EQ59
o TS1097 (349.7) o EQ80
o TS1098 (412.0) o EQ87
o TS1099 (362.5) o EQ87
o TS1100 (363.0) o EQ88
o TS1101 (357.5) o EQ88
o TS1102 (413.5) o EQ97
o TS1103 (361.7) o EQ103
o TS1104 (383.4) o EQ106
o TS1105 (380.4) o EQ106
o TS1106 (537.0) o EQ126
o TS1107 (528.6) o EQ126
o TS1108 (511.1) o EQ131
o TS1109 (513.3) o EQ157
o TS1110 (495.8) o EQ165
o TS1111 (509.1) o EQ166
o TS1112 (573.7) o EQ183
o TS1113 (701.9) o EQ229
o TS1114 (759.0) o EQ312
o TS1115 (682.7) o EQ333
o TS1116 (835.5) o EQ361
o TS1117 (703.3) o EQ361
o TS1118 (703.5) o EQ362
o TS1119 (703.4) o EQ362
o TS1120 (802.2) o EQ434
o TS1121 (799.0) o EQ434
o TS1122 (750.5) o EQ437
o TS1123 (768.0) o EQ470
o TS1124 (783.7) o EQ529
o TS1125 (806.8) o EQ551
o TS1126 (816.3) o EQ552
o TS1127 (786.7) o EQ565
o TS1128 (809.8) o EQ569
o TS1129 (852.5) o EQ586
o TS1130 (814.7) o EQ586
o TS1131 (799.0) o EQ586
o TS1132 (798.9) o EQ586
o TS1133 (941.2) o EQ590
o TS1134 (821.3) o EQ665
o TS1135 (837.9) o EQ705
o TS1136 (836.5) o EQ705
o TS1137 (953.0) o EQ846
o TS1138 (785.3) o DDC43
o TS1139 (537.6) o DDC44
o UDC10 o
[ EQ32 ] Cs ENERGY= 236.1 kJ/mol ( -1459.021638 Hartree)
Energy+ZPE= 237.3 kJ/mol ZPE= 0.0187213
CONNECTIONS:
o TS874 (237.3) o EQ15
o TS1140 (852.1) o EQ724
o TS1141 (846.5) o EQ724
[ EQ33 ] C1 ENERGY= 243.6 kJ/mol ( -1459.018770 Hartree)
Energy+ZPE= 246.9 kJ/mol ZPE= 0.0195062
CONNECTIONS:
o TS65 (776.6) o EQ0
o TS66 (729.5) o EQ0
o TS281 (390.4) o EQ1
o TS867 (303.1) o EQ14
o TS875 (459.2) o EQ15
o TS988 (398.7) o EQ25
o TS989 (377.8) o EQ25
o TS990 (275.5) o EQ25
o TS1030 (526.7) o EQ29
o TS1142 (358.1) o EQ33
o TS1143 (386.2) o EQ34
o TS1144 (386.1) o EQ34
o TS1145 (498.4) o EQ49
o TS1146 (305.3) o EQ64
o TS1147 (387.3) o EQ105
o TS1148 (365.1) o EQ105
o TS1149 (528.9) o EQ112
o TS1150 (523.8) o EQ138
o TS1151 (466.6) o EQ138
o TS1152 (487.5) o EQ151
o TS1153 (512.8) o EQ167
o TS1154 (533.2) o EQ169
o TS1155 (663.3) o EQ203
o TS1156 (728.5) o EQ246
o TS1157 (728.8) o EQ248
o TS1158 (728.9) o EQ262
o TS1159 (672.3) o EQ262
o TS1160 (708.9) o EQ278
o TS1161 (655.4) o EQ281
o TS1162 (655.6) o EQ282
o TS1163 (707.0) o EQ308
o TS1164 (743.7) o EQ326
o TS1165 (809.1) o EQ341
o TS1166 (705.2) o EQ341
o TS1167 (719.8) o EQ392
o TS1168 (729.7) o EQ427
o TS1169 (791.1) o EQ465
o TS1170 (792.6) o EQ541
o TS1171 (808.2) o EQ547
o TS1172 (832.7) o EQ558
o TS1173 (793.0) o EQ558
o TS1174 (795.6) o EQ564
o TS1175 (914.9) o EQ791
o TS1176 (921.0) o DDC45
o TS1177 (781.3) o DDC46
o TS1178 (412.2) o DDC47
o UDC11 o
[ EQ34 ] C1 ENERGY= 251.5 kJ/mol ( -1459.015761 Hartree)
Energy+ZPE= 256.5 kJ/mol ZPE= 0.0201765
CONNECTIONS:
o TS282 (314.7) o EQ1
o TS373 (694.5) o EQ2
o TS702 (424.5) o EQ12
o TS1143 (386.2) o EQ33
o TS1144 (386.1) o EQ33
o TS1179 (793.4) o EQ34
o TS1180 (777.2) o EQ46
o TS1181 (276.8) o EQ46
o TS1182 (504.4) o EQ53
o TS1183 (339.3) o EQ65
o TS1184 (337.5) o EQ91
o TS1185 (540.7) o EQ173
o TS1186 (539.0) o EQ173
o TS1187 (535.3) o EQ173
o TS1188 (790.9) o EQ224
o TS1189 (788.7) o EQ224
o TS1190 (784.9) o EQ287
o TS1191 (709.1) o EQ307
o TS1192 (680.2) o EQ310
o TS1193 (771.0) o EQ312
o TS1194 (699.1) o EQ328
o TS1195 (708.6) o EQ336
o TS1196 (778.6) o EQ402
o TS1197 (778.4) o EQ402
o TS1198 (757.9) o EQ444
o TS1199 (758.8) o EQ448
o TS1200 (778.8) o EQ454
o TS1201 (783.5) o EQ542
o TS1202 (782.0) o EQ542
o TS1203 (862.8) o EQ622
o TS1204 (869.2) o EQ681
o TS1205 (867.5) o EQ765
o UDC12 o
[ EQ35 ] C2h ENERGY= 252.3 kJ/mol ( -1459.015463 Hartree)
Energy+ZPE= 257.3 kJ/mol ZPE= 0.0201722
CONNECTIONS:
o TS1206 (367.3) o EQ38
o TS1207 (302.4) o EQ57
[ EQ36 ] C1 ENERGY= 253.8 kJ/mol ( -1459.014892 Hartree)
Energy+ZPE= 256.6 kJ/mol ZPE= 0.0193145
CONNECTIONS:
o TS283 (307.5) o EQ1
o TS581 (438.1) o EQ6
o TS1031 (862.8) o EQ29
o TS1032 (457.4) o EQ29
o TS1088 (785.6) o EQ31
o TS1089 (267.5) o EQ31
o TS1208 (284.6) o EQ37
o TS1209 (729.8) o EQ52
o TS1210 (280.2) o EQ52
o TS1211 (305.1) o EQ64
o TS1212 (530.1) o EQ138
o TS1213 (813.3) o EQ140
o TS1214 (462.8) o EQ155
o TS1215 (477.2) o EQ158
o TS1216 (824.8) o EQ203
o TS1217 (641.7) o EQ226
o TS1218 (702.0) o EQ245
o TS1219 (677.0) o EQ275
o TS1220 (684.6) o EQ319
o TS1221 (684.7) o EQ322
o TS1222 (706.4) o EQ358
o TS1223 (713.3) o EQ372
o TS1224 (844.8) o EQ456
o TS1225 (786.0) o EQ484
o TS1226 (785.9) o EQ484
o TS1227 (874.3) o EQ492
o TS1228 (900.1) o EQ510
o TS1229 (770.7) o EQ519
o TS1230 (770.8) o EQ520
o UDC13 o
[ EQ37 ] C1 ENERGY= 253.8 kJ/mol ( -1459.014869 Hartree)
Energy+ZPE= 257.2 kJ/mol ZPE= 0.0195385
CONNECTIONS:
o TS284 (411.0) o EQ1
o TS511 (350.2) o EQ4
o TS512 (350.1) o EQ4
o TS513 (331.9) o EQ4
o TS560 (298.9) o EQ5
o TS582 (495.3) o EQ6
o TS1208 (284.6) o EQ36
o TS1231 (542.6) o EQ37
o TS1232 (429.4) o EQ37
o TS1233 (377.2) o EQ37
o TS1234 (371.6) o EQ37
o TS1235 (354.2) o EQ37
o TS1236 (345.0) o EQ37
o TS1237 (309.7) o EQ37
o TS1238 (285.8) o EQ37
o TS1239 (400.0) o EQ39
o TS1240 (390.0) o EQ39
o TS1241 (359.7) o EQ39
o TS1242 (316.6) o EQ39
o TS1243 (316.4) o EQ39
o TS1244 (853.7) o EQ40
o TS1245 (271.3) o EQ41
o TS1246 (290.2) o EQ44
o TS1247 (296.7) o EQ51
o TS1248 (390.1) o EQ53
o TS1249 (364.0) o EQ54
o TS1250 (894.6) o EQ58
o TS1251 (383.8) o EQ58
o TS1252 (348.1) o EQ58
o TS1253 (289.1) o EQ59
o TS1254 (311.0) o EQ68
o TS1255 (361.3) o EQ76
o TS1256 (322.0) o EQ76
o TS1257 (326.7) o EQ79
o TS1258 (464.0) o EQ80
o TS1259 (421.9) o EQ81
o TS1260 (508.9) o EQ87
o TS1261 (363.1) o EQ87
o TS1262 (540.9) o EQ88
o TS1263 (472.9) o EQ94
o TS1264 (359.3) o EQ97
o TS1265 (389.0) o EQ108
o TS1266 (438.2) o EQ125
o TS1267 (513.6) o EQ144
o TS1268 (543.0) o EQ149
o TS1269 (506.7) o EQ161
o TS1270 (489.6) o EQ161
o TS1271 (534.5) o EQ175
o TS1272 (592.0) o EQ181
o TS1273 (760.2) o EQ263
o TS1274 (749.5) o EQ263
o TS1275 (687.6) o EQ263
o TS1276 (883.8) o EQ291
o TS1277 (873.7) o EQ302
o TS1278 (741.0) o EQ348
o TS1279 (708.2) o EQ351
o TS1280 (708.3) o EQ352
o TS1281 (830.4) o EQ363
o TS1282 (830.3) o EQ363
o TS1283 (801.5) o EQ381
o TS1284 (800.1) o EQ381
o TS1285 (809.8) o EQ440
o TS1286 (795.2) o EQ458
o TS1287 (868.5) o EQ530
o TS1288 (829.3) o EQ530
o TS1289 (886.8) o EQ543
o TS1290 (783.9) o EQ543
o TS1291 (784.0) o EQ545
o TS1292 (790.5) o EQ548
o TS1293 (822.5) o EQ585
o TS1294 (856.1) o EQ745
o TS1295 (1072.5) o DDC48
o UDC14 o
[ EQ38 ] C2v ENERGY= 256.0 kJ/mol ( -1459.014037 Hartree)
Energy+ZPE= 261.0 kJ/mol ZPE= 0.0201701
CONNECTIONS:
o TS859 (305.5) o EQ13
o TS1206 (367.3) o EQ35
o TS1296 (524.6) o EQ59
o TS1297 (779.5) o EQ526
o TS1298 (778.7) o EQ526
[ EQ39 ] C1 ENERGY= 268.1 kJ/mol ( -1459.009426 Hartree)
Energy+ZPE= 272.5 kJ/mol ZPE= 0.0199410
CONNECTIONS:
o TS67 (492.6) o EQ0
o TS374 (460.7) o EQ2
o TS375 (388.6) o EQ2
o TS376 (388.4) o EQ2
o TS514 (541.8) o EQ4
o TS583 (778.5) o EQ6
o TS584 (486.0) o EQ6
o TS928 (496.5) o EQ19
o TS936 (310.7) o EQ22
o TS1022 (303.6) o EQ27
o TS1239 (400.0) o EQ37
o TS1240 (390.0) o EQ37
o TS1241 (359.7) o EQ37
o TS1242 (316.6) o EQ37
o TS1243 (316.4) o EQ37
o TS1299 (303.1) o EQ39
o TS1300 (303.2) o EQ40
o TS1301 (354.7) o EQ50
o TS1302 (313.4) o EQ59
o TS1303 (342.5) o EQ72
o TS1304 (365.4) o EQ87
o TS1305 (543.1) o EQ94
o TS1306 (470.7) o EQ117
o TS1307 (430.0) o EQ117
o TS1308 (421.9) o EQ124
o TS1309 (425.6) o EQ125
o TS1310 (410.9) o EQ125
o TS1311 (466.7) o EQ156
o TS1312 (467.6) o EQ158
o TS1313 (485.5) o EQ159
o TS1314 (549.5) o EQ167
o TS1315 (752.5) o EQ248
o TS1316 (670.5) o EQ259
o TS1317 (805.4) o EQ275
o TS1318 (736.2) o EQ293
o TS1319 (789.5) o EQ378
o TS1320 (711.6) o EQ378
o TS1321 (826.4) o EQ381
o TS1322 (806.7) o EQ381
o TS1323 (823.1) o EQ402
o TS1324 (759.5) o EQ474
o TS1325 (775.9) o EQ479
o TS1326 (785.8) o EQ495
o TS1327 (785.6) o EQ495
o TS1328 (842.6) o EQ499
o TS1329 (811.6) o EQ628
o TS1330 (829.8) o EQ635
o TS1331 (844.6) o EQ669
o TS1332 (883.6) o EQ772
o TS1333 (911.5) o EQ826
o TS1334 (847.4) o DDC49
o UDC15 o
[ EQ40 ] C1 ENERGY= 268.3 kJ/mol ( -1459.009372 Hartree)
Energy+ZPE= 272.7 kJ/mol ZPE= 0.0199243
CONNECTIONS:
o TS585 (807.9) o EQ6
o TS703 (901.7) o EQ12
o TS1244 (853.7) o EQ37
o TS1300 (303.2) o EQ39
o TS1335 (841.0) o EQ40
o TS1336 (854.2) o EQ49
o TS1337 (826.6) o EQ50
o TS1338 (857.7) o EQ125
o TS1339 (805.6) o EQ273
o TS1340 (777.9) o EQ275
o TS1341 (786.1) o EQ293
o TS1342 (799.5) o EQ350
o TS1343 (773.9) o EQ381
o TS1344 (776.1) o EQ481
o TS1345 (825.0) o EQ552
o TS1346 (896.2) o EQ558
o TS1347 (852.5) o EQ566
o TS1348 (811.8) o EQ566
o TS1349 (858.3) o EQ573
o TS1350 (806.1) o EQ627
o TS1351 (806.2) o EQ628
o TS1352 (877.5) o EQ677
o TS1353 (854.1) o EQ679
o TS1354 (833.5) o EQ679
o TS1355 (833.7) o EQ680
o TS1356 (916.2) o EQ683
o TS1357 (855.1) o EQ689
o TS1358 (860.0) o EQ705
o TS1359 (856.6) o EQ747
o TS1360 (975.0) o EQ756
o TS1361 (890.9) o EQ783
o TS1362 (896.1) o EQ806
[ EQ41 ] C1 ENERGY= 271.0 kJ/mol ( -1459.008326 Hartree)
Energy+ZPE= 272.6 kJ/mol ZPE= 0.0188675
CONNECTIONS:
o TS285 (571.4) o EQ1
o TS377 (334.1) o EQ2
o TS929 (327.4) o EQ19
o TS930 (316.3) o EQ19
o TS954 (329.8) o EQ23
o TS1245 (271.3) o EQ37
o TS1363 (276.4) o EQ44
o TS1364 (284.7) o EQ52
o TS1365 (322.0) o EQ56
o TS1366 (315.2) o EQ62
o TS1367 (650.5) o EQ249
o TS1368 (650.6) o EQ251
o TS1369 (877.5) o EQ402
o TS1370 (779.4) o EQ447
o TS1371 (780.1) o EQ481
o TS1372 (852.4) o EQ519
o TS1373 (899.2) o EQ535
o TS1374 (805.8) o EQ539
o TS1375 (819.2) o EQ645
o TS1376 (819.4) o EQ646
[ EQ42 ] C1 ENERGY= 271.1 kJ/mol ( -1459.008278 Hartree)
Energy+ZPE= 272.6 kJ/mol ZPE= 0.0188253
CONNECTIONS:
o TS378 (354.7) o EQ2
o TS1377 (712.3) o EQ319
o TS1378 (779.5) o EQ447
o TS1379 (780.2) o EQ481
o TS1380 (855.1) o EQ732
[ EQ43 ] Cs ENERGY= 273.5 kJ/mol ( -1459.007398 Hartree)
Energy+ZPE= 275.7 kJ/mol ZPE= 0.0190916
CONNECTIONS:
o TS379 (275.2) o EQ2
o TS515 (368.6) o EQ4
o TS516 (347.5) o EQ4
o TS517 (331.0) o EQ4
o TS518 (316.9) o EQ4
o TS704 (934.6) o EQ12
o TS1381 (346.2) o EQ71
o TS1382 (818.9) o EQ268
o TS1383 (812.7) o EQ386
o TS1384 (788.1) o EQ536
[ EQ44 ] C1 ENERGY= 274.1 kJ/mol ( -1459.007162 Hartree)
Energy+ZPE= 276.3 kJ/mol ZPE= 0.0190761
CONNECTIONS:
o TS519 (313.5) o EQ4
o TS705 (519.6) o EQ12
o TS1063 (455.5) o EQ30
o TS1090 (355.2) o EQ31
o TS1246 (290.2) o EQ37
o TS1363 (276.4) o EQ41
o TS1385 (613.0) o EQ44
o TS1386 (839.8) o EQ54
o TS1387 (344.5) o EQ58
o TS1388 (383.0) o EQ72
o TS1389 (416.0) o EQ100
o TS1390 (390.3) o EQ110
o TS1391 (863.5) o EQ117
o TS1392 (493.6) o EQ165
o TS1393 (715.2) o EQ275
o TS1394 (715.1) o EQ277
o TS1395 (772.7) o EQ529
o TS1396 (805.2) o EQ548
[ EQ45 ] C1 ENERGY= 274.1 kJ/mol ( -1459.007154 Hartree)
Energy+ZPE= 278.0 kJ/mol ZPE= 0.0197465
CONNECTIONS:
o TS380 (768.5) o EQ2
o TS381 (341.1) o EQ2
o TS382 (339.0) o EQ2
o TS706 (536.1) o EQ12
o TS707 (448.5) o EQ12
o TS1091 (530.5) o EQ31
o TS1092 (517.3) o EQ31
o TS1397 (451.4) o EQ45
o TS1398 (429.7) o EQ45
o TS1399 (429.5) o EQ45
o TS1400 (328.5) o EQ67
o TS1401 (363.0) o EQ98
o TS1402 (634.7) o EQ152
o TS1403 (873.0) o EQ160
o TS1404 (763.5) o EQ445
o TS1405 (761.4) o EQ445
o TS1406 (1067.1) o EQ482
o TS1407 (820.9) o EQ526
o TS1408 (862.6) o EQ662
o TS1409 (927.1) o EQ760
o TS1410 (362.9) o DDC50
o TS1411 (361.8) o DDC51
o UDC16 o
[ EQ46 ] C1 ENERGY= 274.7 kJ/mol ( -1459.006928 Hartree)
Energy+ZPE= 277.7 kJ/mol ZPE= 0.0193929
CONNECTIONS:
o TS708 (435.7) o EQ12
o TS709 (275.1) o EQ12
o TS1180 (777.2) o EQ34
o TS1181 (276.8) o EQ34
o TS1412 (397.1) o EQ98
o TS1413 (451.7) o EQ116
o TS1414 (452.0) o EQ117
o TS1415 (801.1) o EQ480
o TS1416 (779.8) o EQ544
o TS1417 (802.2) o EQ581
o TS1418 (893.9) o EQ697
[ EQ47 ] C1 ENERGY= 274.8 kJ/mol ( -1459.006881 Hartree)
Energy+ZPE= 277.6 kJ/mol ZPE= 0.0193356
CONNECTIONS:
[ EQ48 ] Cs ENERGY= 277.5 kJ/mol ( -1459.005848 Hartree)
Energy+ZPE= 281.0 kJ/mol ZPE= 0.0195843
CONNECTIONS:
o TS383 (306.3) o EQ2
o TS520 (294.3) o EQ4
o TS521 (292.5) o EQ4
o TS522 (292.1) o EQ4
o TS586 (340.0) o EQ6
o TS587 (322.4) o EQ6
o TS1419 (298.7) o EQ61
[ EQ49 ] C1 ENERGY= 278.1 kJ/mol ( -1459.005632 Hartree)
Energy+ZPE= 278.3 kJ/mol ZPE= 0.0183242
CONNECTIONS:
o TS68 (737.0) o EQ0
o TS69 (280.6) o EQ0
o TS588 (368.2) o EQ6
o TS991 (291.4) o EQ25
o TS1093 (304.1) o EQ31
o TS1145 (498.4) o EQ33
o TS1336 (854.2) o EQ40
o TS1420 (397.9) o EQ49
o TS1421 (310.3) o EQ67
o TS1422 (546.4) o EQ136
o TS1423 (785.5) o EQ538
o TS1424 (805.9) o EQ602
o TS1425 (838.2) o EQ637
o TS1426 (840.7) o EQ676
o TS1427 (854.3) o EQ718
o TS1428 (890.9) o DDC52
o TS1429 (862.0) o DDC53
o TS1430 (537.2) o DDC54
o UDC17 o
[ EQ50 ] C1 ENERGY= 278.7 kJ/mol ( -1459.005417 Hartree)
Energy+ZPE= 282.6 kJ/mol ZPE= 0.0197458
CONNECTIONS:
o TS286 (500.1) o EQ1
o TS523 (859.8) o EQ4
o TS931 (304.6) o EQ19
o TS981 (827.7) o EQ24
o TS982 (361.4) o EQ24
o TS1301 (354.7) o EQ39
o TS1337 (826.6) o EQ40
o TS1431 (588.4) o EQ50
o TS1432 (384.0) o EQ55
o TS1433 (314.9) o EQ62
o TS1434 (821.3) o EQ74
o TS1435 (821.5) o EQ75
o TS1436 (662.9) o EQ199
o TS1437 (728.2) o EQ349
o TS1438 (717.8) o EQ349
o TS1439 (722.0) o EQ385
o TS1440 (721.9) o EQ385
o TS1441 (747.4) o EQ466
o TS1442 (798.6) o EQ503
o TS1443 (861.8) o EQ557
o TS1444 (814.4) o EQ646
o TS1445 (814.2) o EQ646
[ EQ51 ] C1 ENERGY= 278.8 kJ/mol ( -1459.005364 Hartree)
Energy+ZPE= 282.6 kJ/mol ZPE= 0.0197148
CONNECTIONS:
o TS524 (317.2) o EQ4
o TS525 (317.1) o EQ4
o TS526 (279.8) o EQ4
o TS955 (327.3) o EQ23
o TS1247 (296.7) o EQ37
o TS1446 (315.0) o EQ62
o TS1447 (454.6) o EQ140
o TS1448 (662.7) o EQ199
o TS1449 (681.0) o EQ335
o TS1450 (935.7) o EQ347
o TS1451 (801.2) o EQ543
[ EQ52 ] C1 ENERGY= 280.1 kJ/mol ( -1459.004876 Hartree)
Energy+ZPE= 281.3 kJ/mol ZPE= 0.0187129
CONNECTIONS:
o TS710 (289.8) o EQ12
o TS1209 (729.8) o EQ36
o TS1210 (280.2) o EQ36
o TS1364 (284.7) o EQ41
o TS1452 (334.9) o EQ52
o UDC18 o
[ EQ53 ] C1 ENERGY= 281.5 kJ/mol ( -1459.004323 Hartree)
Energy+ZPE= 283.8 kJ/mol ZPE= 0.0191208
CONNECTIONS:
o TS70 (388.9) o EQ0
o TS711 (305.7) o EQ12
o TS712 (304.4) o EQ12
o TS992 (368.1) o EQ25
o TS1094 (942.6) o EQ31
o TS1095 (369.0) o EQ31
o TS1182 (504.4) o EQ34
o TS1248 (390.1) o EQ37
o TS1453 (443.9) o EQ53
o TS1454 (391.8) o EQ53
o TS1455 (339.2) o EQ78
o TS1456 (403.7) o EQ105
o TS1457 (396.7) o EQ110
o TS1458 (526.0) o EQ130
o TS1459 (459.8) o EQ130
o TS1460 (453.8) o EQ130
o TS1461 (438.1) o EQ130
o TS1462 (500.2) o EQ145
o TS1463 (528.3) o EQ146
o TS1464 (528.0) o EQ146
o TS1465 (509.6) o EQ149
o TS1466 (506.8) o EQ149
o TS1467 (548.2) o EQ164
o TS1468 (538.4) o EQ164
o TS1469 (674.4) o EQ215
o TS1470 (774.6) o EQ329
o TS1471 (728.8) o EQ359
o TS1472 (728.6) o EQ359
o TS1473 (811.2) o EQ490
o TS1474 (822.5) o EQ518
o TS1475 (828.4) o EQ535
o TS1476 (832.9) o EQ686
o TS1477 (856.9) o EQ697
o TS1478 (840.5) o EQ697
o TS1479 (882.8) o EQ790
o UDC19 o
[ EQ54 ] Cs ENERGY= 283.6 kJ/mol ( -1459.003544 Hartree)
Energy+ZPE= 288.8 kJ/mol ZPE= 0.0202548
CONNECTIONS:
o TS937 (321.4) o EQ22
o TS1023 (332.3) o EQ27
o TS1249 (364.0) o EQ37
o TS1386 (839.8) o EQ44
o TS1480 (318.1) o EQ58
o TS1481 (421.1) o EQ116
o TS1482 (876.3) o EQ120
o TS1483 (458.4) o EQ137
o TS1484 (713.9) o EQ239
o TS1485 (713.8) o EQ239
o TS1486 (729.5) o EQ347
o TS1487 (721.5) o EQ363
o TS1488 (717.0) o EQ363
o TS1489 (833.4) o EQ385
o TS1490 (852.6) o EQ402
o TS1491 (854.8) o EQ440
o TS1492 (799.1) o EQ557
o TS1493 (793.6) o EQ557
o TS1494 (781.6) o EQ557
o TS1495 (854.8) o EQ578
o TS1496 (854.6) o EQ578
o TS1497 (880.2) o EQ705
o UDC20 o
[ EQ55 ] Cs ENERGY= 283.8 kJ/mol ( -1459.003461 Hartree)
Energy+ZPE= 289.0 kJ/mol ZPE= 0.0202269
CONNECTIONS:
o TS956 (321.6) o EQ23
o TS1024 (332.6) o EQ27
o TS1432 (384.0) o EQ50
o TS1498 (816.0) o EQ55
o TS1499 (356.8) o EQ72
o TS1500 (384.3) o EQ109
o TS1501 (384.1) o EQ109
o TS1502 (578.7) o EQ173
o TS1503 (733.0) o EQ197
o TS1504 (738.9) o EQ347
o TS1505 (811.2) o EQ440
o TS1506 (814.8) o EQ481
o TS1507 (837.0) o EQ520
o TS1508 (820.2) o EQ605
o TS1509 (804.3) o EQ605
o TS1510 (833.0) o EQ688
o TS1511 (867.2) o EQ707
o TS1512 (876.4) o EQ738
o TS1513 (885.5) o EQ741
o UDC21 o
[ EQ56 ] Cs ENERGY= 284.7 kJ/mol ( -1459.003116 Hartree)
Energy+ZPE= 286.2 kJ/mol ZPE= 0.0188257
CONNECTIONS:
o TS1365 (322.0) o EQ41
o TS1514 (292.1) o DDC55
o UDC22 o
[ EQ57 ] C1 ENERGY= 285.9 kJ/mol ( -1459.002644 Hartree)
Energy+ZPE= 286.3 kJ/mol ZPE= 0.0184117
CONNECTIONS:
o TS384 (286.1) o EQ2
o TS589 (353.5) o EQ6
o TS860 (403.8) o EQ13
o TS1207 (302.4) o EQ35
o TS1515 (397.5) o EQ61
o TS1516 (823.3) o EQ189
o TS1517 (789.8) o EQ230
o TS1518 (836.6) o EQ504
o TS1519 (834.7) o EQ567
[ EQ58 ] Cs ENERGY= 287.2 kJ/mol ( -1459.002153 Hartree)
Energy+ZPE= 292.0 kJ/mol ZPE= 0.0200743
CONNECTIONS:
o TS385 (798.0) o EQ2
o TS386 (447.3) o EQ2
o TS387 (439.1) o EQ2
o TS388 (329.6) o EQ2
o TS902 (569.0) o EQ16
o TS1250 (894.6) o EQ37
o TS1251 (383.8) o EQ37
o TS1252 (348.1) o EQ37
o TS1387 (344.5) o EQ44
o TS1480 (318.1) o EQ54
o TS1520 (485.4) o EQ58
o TS1521 (441.7) o EQ58
o TS1522 (629.2) o EQ70
o TS1523 (410.6) o EQ123
o TS1524 (617.8) o EQ134
o TS1525 (588.9) o EQ134
o TS1526 (501.2) o EQ139
o TS1527 (594.9) o EQ152
o TS1528 (579.6) o EQ157
o TS1529 (483.4) o EQ161
o TS1530 (538.5) o EQ175
o TS1531 (740.4) o EQ292
o TS1532 (721.7) o EQ292
o TS1533 (738.0) o EQ340
o TS1534 (720.2) o EQ403
o TS1535 (837.8) o EQ482
o TS1536 (808.5) o EQ526
o TS1537 (835.7) o EQ576
o TS1538 (815.5) o EQ576
o TS1539 (827.3) o EQ636
o TS1540 (820.6) o EQ665
o TS1541 (837.7) o EQ683
o TS1542 (510.9) o DDC56
o UDC23 o
[ EQ59 ] C1 ENERGY= 287.5 kJ/mol ( -1459.002034 Hartree)
Energy+ZPE= 291.5 kJ/mol ZPE= 0.0197709
CONNECTIONS:
o TS71 (369.7) o EQ0
o TS287 (493.2) o EQ1
o TS389 (473.8) o EQ2
o TS527 (493.6) o EQ4
o TS1096 (403.7) o EQ31
o TS1253 (289.1) o EQ37
o TS1296 (524.6) o EQ38
o TS1302 (313.4) o EQ39
o TS1543 (805.3) o EQ59
o TS1544 (394.0) o EQ104
o TS1545 (393.3) o EQ104
o TS1546 (415.8) o EQ106
o TS1547 (415.6) o EQ106
o TS1548 (405.5) o EQ108
o TS1549 (448.4) o EQ125
o TS1550 (548.4) o EQ145
o TS1551 (549.3) o EQ147
o TS1552 (705.7) o EQ285
o TS1553 (671.5) o EQ289
o TS1554 (859.4) o EQ378
o TS1555 (779.2) o EQ378
o TS1556 (774.2) o EQ533
o TS1557 (813.3) o EQ574
o TS1558 (844.4) o EQ674
o TS1559 (841.0) o EQ674
o UDC24 o
[ EQ60 ] C1 ENERGY= 291.0 kJ/mol ( -1459.000729 Hartree)
Energy+ZPE= 290.5 kJ/mol ZPE= 0.0180850
CONNECTIONS:
o TS713 (291.0) o EQ12
o TS1560 (404.1) o EQ110
o TS1561 (395.8) o DDC57
[ EQ61 ] Cs ENERGY= 294.6 kJ/mol ( -1458.999332 Hartree)
Energy+ZPE= 297.8 kJ/mol ZPE= 0.0194626
CONNECTIONS:
o TS288 (335.2) o EQ1
o TS390 (340.0) o EQ2
o TS528 (355.1) o EQ4
o TS529 (319.3) o EQ4
o TS530 (319.2) o EQ4
o TS531 (306.1) o EQ4
o TS532 (300.2) o EQ4
o TS861 (496.1) o EQ13
o TS1419 (298.7) o EQ48
o TS1515 (397.5) o EQ57
o TS1562 (334.9) o EQ82
o TS1563 (489.7) o EQ163
o TS1564 (620.9) o EQ205
o TS1565 (336.3) o DDC58
[ EQ62 ] Cs ENERGY= 295.3 kJ/mol ( -1458.999087 Hartree)
Energy+ZPE= 298.7 kJ/mol ZPE= 0.0195680
CONNECTIONS:
o TS391 (827.1) o EQ2
o TS533 (312.1) o EQ4
o TS666 (407.2) o EQ11
o TS1366 (315.2) o EQ41
o TS1433 (314.9) o EQ50
o TS1446 (315.0) o EQ51
o TS1566 (312.5) o EQ68
o TS1567 (734.9) o EQ199
o TS1568 (669.6) o EQ199
o TS1569 (771.8) o EQ432
o TS1570 (829.6) o EQ610
o TS1571 (904.8) o EQ683
o TS1572 (887.2) o EQ745
o UDC25 o
[ EQ63 ] C2v ENERGY= 295.3 kJ/mol ( -1458.999060 Hartree)
Energy+ZPE= 302.2 kJ/mol ZPE= 0.0208721
CONNECTIONS:
o TS1573 (497.7) o EQ139
o TS1574 (513.6) o EQ168
o UDC26 o
[ EQ64 ] C1 ENERGY= 303.2 kJ/mol ( -1458.996063 Hartree)
Energy+ZPE= 305.1 kJ/mol ZPE= 0.0189743
CONNECTIONS:
o TS392 (354.4) o EQ2
o TS714 (305.7) o EQ12
o TS1146 (305.3) o EQ33
o TS1211 (305.1) o EQ36
o TS1575 (641.1) o EQ223
o TS1576 (641.0) o EQ223
o TS1577 (641.3) o EQ225
o UDC27 o
[ EQ65 ] C1 ENERGY= 304.3 kJ/mol ( -1458.995664 Hartree)
Energy+ZPE= 305.3 kJ/mol ZPE= 0.0186377
CONNECTIONS:
o TS393 (309.2) o EQ2
o TS1033 (321.1) o EQ29
o TS1183 (339.3) o EQ34
o TS1578 (659.5) o EQ271
o TS1579 (803.2) o EQ492
o TS1580 (315.7) o DDC59
[ EQ66 ] C1 ENERGY= 307.0 kJ/mol ( -1458.994627 Hartree)
Energy+ZPE= 306.1 kJ/mol ZPE= 0.0179254
CONNECTIONS:
o TS72 (310.1) o EQ0
o TS289 (312.3) o EQ1
o TS394 (330.2) o EQ2
o TS395 (322.3) o EQ2
o TS1064 (337.1) o EQ30
[ EQ67 ] C1 ENERGY= 309.7 kJ/mol ( -1458.993587 Hartree)
Energy+ZPE= 309.5 kJ/mol ZPE= 0.0181887
CONNECTIONS:
o TS1400 (328.5) o EQ45
o TS1421 (310.3) o EQ49
o TS1581 (355.7) o EQ78
o TS1582 (352.0) o EQ97
o TS1583 (422.3) o EQ119
o TS1584 (811.2) o EQ637
[ EQ68 ] C1 ENERGY= 310.3 kJ/mol ( -1458.993381 Hartree)
Energy+ZPE= 313.2 kJ/mol ZPE= 0.0193460
CONNECTIONS:
o TS534 (366.6) o EQ4
o TS932 (322.1) o EQ19
o TS1254 (311.0) o EQ37
o TS1566 (312.5) o EQ62
o TS1585 (336.3) o EQ68
o TS1586 (368.8) o EQ74
o TS1587 (368.7) o EQ75
o TS1588 (732.9) o EQ349
o TS1589 (724.4) o EQ398
o TS1590 (724.6) o EQ400
[ EQ69 ] C1 ENERGY= 312.3 kJ/mol ( -1458.992618 Hartree)
Energy+ZPE= 311.4 kJ/mol ZPE= 0.0178961
CONNECTIONS:
o TS590 (377.0) o EQ6
o TS1591 (773.4) o EQ464
o TS1592 (796.9) o EQ509
o TS1593 (818.8) o EQ652
o TS1594 (851.3) o EQ733
o TS1595 (786.6) o DDC60
[ EQ70 ] C1 ENERGY= 312.4 kJ/mol ( -1458.992572 Hartree)
Energy+ZPE= 311.4 kJ/mol ZPE= 0.0178797
CONNECTIONS:
o TS73 (392.4) o EQ0
o TS396 (477.9) o EQ2
o TS628 (313.6) o EQ7
o TS715 (321.1) o EQ12
o TS716 (313.8) o EQ12
o TS1522 (629.2) o EQ58
o TS1596 (478.7) o EQ76
o TS1597 (511.2) o EQ94
o TS1598 (767.5) o EQ101
o TS1599 (509.0) o EQ161
o TS1600 (715.2) o EQ395
o TS1601 (800.5) o EQ510
o TS1602 (806.9) o EQ540
o TS1603 (894.1) o EQ556
o TS1604 (813.3) o EQ617
o TS1605 (837.1) o EQ681
o TS1606 (786.7) o DDC61
o UDC28 o
o UDC29 o
[ EQ71 ] C1 ENERGY= 315.2 kJ/mol ( -1458.991511 Hartree)
Energy+ZPE= 314.4 kJ/mol ZPE= 0.0179340
CONNECTIONS:
o TS290 (315.8) o EQ1
o TS591 (320.0) o EQ6
o TS1034 (340.7) o EQ29
o TS1381 (346.2) o EQ43
o TS1607 (822.3) o EQ654
o TS1608 (339.5) o DDC62
[ EQ72 ] C1 ENERGY= 318.1 kJ/mol ( -1458.990405 Hartree)
Energy+ZPE= 323.6 kJ/mol ZPE= 0.0203341
CONNECTIONS:
o TS397 (935.3) o EQ2
o TS398 (515.7) o EQ2
o TS399 (490.5) o EQ2
o TS400 (489.2) o EQ2
o TS535 (540.8) o EQ4
o TS938 (413.9) o EQ22
o TS1065 (855.7) o EQ30
o TS1303 (342.5) o EQ39
o TS1388 (383.0) o EQ44
o TS1499 (356.8) o EQ55
o TS1609 (581.9) o EQ72
o TS1610 (421.1) o EQ72
o TS1611 (395.9) o EQ72
o TS1612 (388.0) o EQ72
o TS1613 (382.2) o EQ72
o TS1614 (321.6) o EQ72
o TS1615 (485.6) o EQ78
o TS1616 (418.4) o EQ98
o TS1617 (396.8) o EQ104
o TS1618 (462.3) o EQ107
o TS1619 (776.1) o EQ117
o TS1620 (461.8) o EQ120
o TS1621 (460.3) o EQ142
o TS1622 (453.0) o EQ142
o TS1623 (477.9) o EQ161
o TS1624 (536.6) o EQ175
o TS1625 (954.7) o EQ197
o TS1626 (919.8) o EQ197
o TS1627 (735.7) o EQ199
o TS1628 (927.1) o EQ347
o TS1629 (826.4) o EQ347
o TS1630 (807.2) o EQ440
o TS1631 (792.6) o EQ440
o TS1632 (748.5) o EQ440
o TS1633 (738.0) o EQ440
o TS1634 (791.0) o EQ583
o TS1635 (879.9) o EQ635
o TS1636 (879.6) o EQ635
o TS1637 (889.1) o EQ648
o TS1638 (882.0) o EQ649
o TS1639 (881.6) o EQ649
o UDC30 o
[ EQ73 ] C3v ENERGY= 318.2 kJ/mol ( -1458.990348 Hartree)
Energy+ZPE= 320.7 kJ/mol ZPE= 0.0191969
CONNECTIONS:
o UDC31 o
[ EQ74 ] C3v ENERGY= 318.4 kJ/mol ( -1458.990290 Hartree)
Energy+ZPE= 320.8 kJ/mol ZPE= 0.0191716
CONNECTIONS:
o TS536 (357.8) o EQ4
o TS1434 (821.3) o EQ50
o TS1586 (368.8) o EQ68
o TS1640 (740.9) o EQ363
o TS1641 (740.7) o EQ363
o TS1642 (838.5) o EQ680
o UDC32 o
[ EQ75 ] C3v ENERGY= 318.5 kJ/mol ( -1458.990221 Hartree)
Energy+ZPE= 320.8 kJ/mol ZPE= 0.0191407
CONNECTIONS:
o TS537 (358.0) o EQ4
o TS957 (338.2) o EQ23
o TS1435 (821.5) o EQ50
o TS1587 (368.7) o EQ68
o TS1643 (794.4) o EQ75
o TS1644 (887.4) o EQ214
o TS1645 (736.9) o EQ350
o TS1646 (770.0) o EQ528
o TS1647 (838.3) o EQ679
o UDC33 o
[ EQ76 ] C1 ENERGY= 320.7 kJ/mol ( -1458.989421 Hartree)
Energy+ZPE= 322.3 kJ/mol ZPE= 0.0188686
CONNECTIONS:
o TS401 (341.3) o EQ2
o TS402 (341.1) o EQ2
o TS717 (479.6) o EQ12
o TS1255 (361.3) o EQ37
o TS1256 (322.0) o EQ37
o TS1596 (478.7) o EQ70
o TS1648 (350.6) o EQ76
o TS1649 (335.7) o EQ84
o TS1650 (497.0) o EQ88
o UDC34 o
[ EQ77 ] Cs ENERGY= 325.1 kJ/mol ( -1458.987738 Hartree)
Energy+ZPE= 327.1 kJ/mol ZPE= 0.0190095
CONNECTIONS:
o TS1651 (326.5) o EQ79
o TS1652 (341.7) o EQ81
o UDC35 o
[ EQ78 ] C1 ENERGY= 325.5 kJ/mol ( -1458.987582 Hartree)
Energy+ZPE= 322.9 kJ/mol ZPE= 0.0172486
CONNECTIONS:
o TS291 (326.9) o EQ1
o TS718 (348.9) o EQ12
o TS1455 (339.2) o EQ53
o TS1581 (355.7) o EQ67
o TS1615 (485.6) o EQ72
o TS1653 (475.8) o EQ130
o TS1654 (505.9) o EQ148
o TS1655 (597.9) o EQ173
o TS1656 (714.2) o EQ403
[ EQ79 ] C1 ENERGY= 326.2 kJ/mol ( -1458.987316 Hartree)
Energy+ZPE= 328.1 kJ/mol ZPE= 0.0189877
CONNECTIONS:
o TS993 (478.9) o EQ25
o TS1257 (326.7) o EQ37
o TS1651 (326.5) o EQ77
o TS1657 (645.3) o EQ79
o TS1658 (365.2) o EQ87
o TS1659 (519.9) o EQ154
[ EQ80 ] Cs ENERGY= 329.1 kJ/mol ( -1458.986207 Hartree)
Energy+ZPE= 329.2 kJ/mol ZPE= 0.0182887
CONNECTIONS:
o TS629 (343.2) o EQ7
o TS1097 (349.7) o EQ31
o TS1258 (464.0) o EQ37
o TS1660 (335.6) o EQ83
o TS1661 (366.1) o EQ98
o TS1662 (444.1) o EQ135
o TS1663 (723.5) o EQ362
o TS1664 (723.4) o EQ362
o TS1665 (723.1) o EQ386
o TS1666 (723.2) o EQ387
o TS1667 (713.5) o EQ387
o UDC36 o
[ EQ81 ] Cs ENERGY= 329.1 kJ/mol ( -1458.986190 Hartree)
Energy+ZPE= 333.3 kJ/mol ZPE= 0.0198527
CONNECTIONS:
o TS1259 (421.9) o EQ37
o TS1652 (341.7) o EQ77
o TS1668 (332.1) o EQ81
o TS1669 (494.9) o EQ95
o TS1670 (359.4) o EQ96
o UDC37 o
[ EQ82 ] C1 ENERGY= 329.6 kJ/mol ( -1458.986015 Hartree)
Energy+ZPE= 331.1 kJ/mol ZPE= 0.0188113
CONNECTIONS:
o TS292 (332.3) o EQ1
o TS403 (330.8) o EQ2
o TS1562 (334.9) o EQ61
[ EQ83 ] Cs ENERGY= 330.1 kJ/mol ( -1458.985832 Hartree)
Energy+ZPE= 328.4 kJ/mol ZPE= 0.0175916
CONNECTIONS:
o TS719 (331.5) o EQ12
o TS720 (331.3) o EQ12
o TS1660 (335.6) o EQ80
o TS1671 (714.6) o EQ401
[ EQ84 ] C1 ENERGY= 330.9 kJ/mol ( -1458.985508 Hartree)
Energy+ZPE= 331.6 kJ/mol ZPE= 0.0185402
CONNECTIONS:
o TS721 (337.7) o EQ12
o TS994 (338.7) o EQ25
o TS1649 (335.7) o EQ76
[ EQ85 ] Cs ENERGY= 332.6 kJ/mol ( -1458.984884 Hartree)
Energy+ZPE= 331.7 kJ/mol ZPE= 0.0179187
CONNECTIONS:
o TS1672 (806.4) o EQ592
[ EQ86 ] Cs ENERGY= 332.7 kJ/mol ( -1458.984820 Hartree)
Energy+ZPE= 331.8 kJ/mol ZPE= 0.0178957
CONNECTIONS:
o TS293 (478.9) o EQ1
o TS294 (445.2) o EQ1
o TS722 (344.7) o EQ12
o TS862 (359.6) o EQ13
o TS1035 (365.0) o EQ29
o TS1673 (389.0) o EQ101
o TS1674 (670.7) o EQ190
o TS1675 (376.9) o DDC63
o TS1676 (339.5) o DDC64
[ EQ87 ] C1 ENERGY= 333.8 kJ/mol ( -1458.984418 Hartree)
Energy+ZPE= 336.1 kJ/mol ZPE= 0.0191255
CONNECTIONS:
o TS538 (412.0) o EQ4
o TS876 (403.8) o EQ15
o TS958 (411.5) o EQ23
o TS959 (392.2) o EQ23
o TS1098 (412.0) o EQ31
o TS1099 (362.5) o EQ31
o TS1260 (508.9) o EQ37
o TS1261 (363.1) o EQ37
o TS1304 (365.4) o EQ39
o TS1658 (365.2) o EQ79
o TS1677 (356.8) o EQ96
o TS1678 (349.6) o EQ96
o TS1679 (547.2) o EQ101
o TS1680 (410.6) o EQ104
o TS1681 (516.2) o EQ133
o TS1682 (548.3) o EQ178
o TS1683 (877.0) o EQ604
o TS1684 (814.8) o EQ642
o TS1685 (840.5) o EQ666
o TS1686 (937.8) o EQ838
o UDC38 o
[ EQ88 ] C1 ENERGY= 335.5 kJ/mol ( -1458.983753 Hartree)
Energy+ZPE= 335.3 kJ/mol ZPE= 0.0181785
CONNECTIONS:
o TS404 (696.1) o EQ2
o TS723 (689.5) o EQ12
o TS724 (346.9) o EQ12
o TS1100 (363.0) o EQ31
o TS1101 (357.5) o EQ31
o TS1262 (540.9) o EQ37
o TS1650 (497.0) o EQ76
o TS1687 (897.1) o EQ88
o TS1688 (670.8) o EQ88
o TS1689 (506.7) o EQ88
o TS1690 (404.5) o EQ88
o TS1691 (600.7) o EQ93
o TS1692 (370.8) o EQ93
o TS1693 (385.9) o EQ100
o TS1694 (386.0) o EQ101
o TS1695 (416.0) o EQ115
o TS1696 (456.5) o EQ118
o TS1697 (495.7) o EQ125
o TS1698 (445.6) o EQ133
o TS1699 (465.7) o EQ136
o TS1700 (504.4) o EQ149
o TS1701 (553.5) o EQ160
o TS1702 (493.3) o EQ162
o TS1703 (536.0) o EQ169
o TS1704 (597.5) o EQ172
o TS1705 (579.0) o EQ174
o TS1706 (580.7) o EQ180
o TS1707 (767.4) o EQ189
o TS1708 (733.8) o EQ189
o TS1709 (651.0) o EQ190
o TS1710 (650.9) o EQ190
o TS1711 (656.1) o EQ207
o TS1712 (646.4) o EQ208
o TS1713 (684.9) o EQ244
o TS1714 (648.4) o EQ253
o TS1715 (648.2) o EQ253
o TS1716 (930.0) o EQ310
o TS1717 (689.1) o EQ339
o TS1718 (778.5) o EQ525
o TS1719 (783.2) o EQ531
o TS1720 (819.9) o EQ539
o TS1721 (819.8) o EQ539
o TS1722 (781.8) o EQ550
o TS1723 (790.0) o EQ552
o TS1724 (789.8) o EQ552
o TS1725 (803.0) o EQ556
o TS1726 (852.0) o EQ587
o TS1727 (812.8) o EQ618
o TS1728 (812.6) o EQ618
o TS1729 (816.0) o EQ650
o TS1730 (816.9) o EQ651
o TS1731 (881.8) o EQ667
o TS1732 (850.8) o EQ706
o TS1733 (942.8) o EQ712
o TS1734 (846.8) o EQ725
o TS1735 (884.7) o EQ749
o TS1736 (989.6) o EQ766
o TS1737 (879.0) o EQ779
o TS1738 (901.5) o EQ803
o TS1739 (497.0) o DDC65
o TS1740 (442.0) o DDC66
o TS1741 (403.1) o DDC67
o TS1742 (361.9) o DDC68
[ EQ89 ] Cs ENERGY= 336.0 kJ/mol ( -1458.983582 Hartree)
Energy+ZPE= 338.4 kJ/mol ZPE= 0.0191775
CONNECTIONS:
o TS539 (336.0) o EQ4
o TS1743 (395.2) o EQ104
o TS1744 (818.9) o EQ647
o TS1745 (818.7) o EQ647
[ EQ90 ] Cs ENERGY= 336.6 kJ/mol ( -1458.983360 Hartree)
Energy+ZPE= 336.5 kJ/mol ZPE= 0.0182357
CONNECTIONS:
o TS725 (338.7) o EQ12
o TS995 (339.8) o EQ25
o TS1746 (503.9) o EQ130
o TS1747 (726.9) o EQ396
o TS1748 (813.5) o EQ623
o TS1749 (836.0) o EQ694
o UDC39 o
[ EQ91 ] C1 ENERGY= 336.8 kJ/mol ( -1458.983264 Hartree)
Energy+ZPE= 339.0 kJ/mol ZPE= 0.0190851
CONNECTIONS:
o TS405 (349.9) o EQ2
o TS726 (340.5) o EQ12
o TS727 (340.5) o EQ12
o TS1184 (337.5) o EQ34
o TS1750 (395.7) o EQ91
[ EQ92 ] Cs ENERGY= 342.6 kJ/mol ( -1458.981051 Hartree)
Energy+ZPE= 344.2 kJ/mol ZPE= 0.0188693
CONNECTIONS:
o TS1751 (366.4) o EQ92
o TS1752 (506.1) o EQ151
o TS1753 (831.9) o EQ569
o TS1754 (822.0) o EQ599
o TS1755 (855.4) o EQ658
o TS1756 (838.7) o EQ658
o TS1757 (897.2) o EQ734
o TS1758 (879.0) o EQ734
o UDC40 o
[ EQ93 ] Cs ENERGY= 342.8 kJ/mol ( -1458.981001 Hartree)
Energy+ZPE= 344.3 kJ/mol ZPE= 0.0188464
CONNECTIONS:
o TS728 (370.6) o EQ12
o TS729 (363.2) o EQ12
o TS877 (515.7) o EQ15
o TS1691 (600.7) o EQ88
o TS1692 (370.8) o EQ88
o TS1759 (483.1) o EQ117
o TS1760 (416.2) o EQ127
o TS1761 (429.4) o EQ133
o TS1762 (605.2) o EQ145
o TS1763 (475.7) o EQ146
o TS1764 (572.6) o EQ170
o TS1765 (669.8) o EQ291
o TS1766 (669.7) o EQ291
o TS1767 (834.1) o EQ312
o TS1768 (737.8) o EQ374
o TS1769 (798.5) o EQ480
o TS1770 (794.0) o EQ480
o TS1771 (793.9) o EQ480
o TS1772 (944.8) o EQ658
o TS1773 (838.8) o EQ658
o TS1774 (865.4) o EQ702
[ EQ94 ] Cs ENERGY= 346.7 kJ/mol ( -1458.979482 Hartree)
Energy+ZPE= 350.7 kJ/mol ZPE= 0.0197777
CONNECTIONS:
o TS540 (432.3) o EQ4
o TS878 (527.1) o EQ15
o TS1263 (472.9) o EQ37
o TS1305 (543.1) o EQ39
o TS1597 (511.2) o EQ70
o TS1775 (611.9) o EQ94
o TS1776 (570.9) o EQ94
o TS1777 (504.9) o EQ94
o TS1778 (466.2) o EQ94
o TS1779 (409.6) o EQ98
o TS1780 (584.5) o EQ126
o TS1781 (432.8) o EQ130
o TS1782 (518.9) o EQ145
o TS1783 (498.0) o EQ147
o TS1784 (464.2) o EQ148
o TS1785 (505.1) o EQ150
o TS1786 (503.4) o EQ150
o TS1787 (544.9) o EQ153
o TS1788 (475.5) o EQ158
o TS1789 (564.1) o EQ181
o TS1790 (570.7) o EQ182
o TS1791 (696.1) o EQ301
o TS1792 (745.9) o EQ377
o TS1793 (743.5) o EQ377
o TS1794 (871.3) o EQ623
o TS1795 (886.1) o EQ648
o TS1796 (424.6) o DDC69
o UDC41 o
[ EQ95 ] C1 ENERGY= 347.6 kJ/mol ( -1458.979171 Hartree)
Energy+ZPE= 349.7 kJ/mol ZPE= 0.0190434
CONNECTIONS:
o TS730 (351.0) o EQ12
o TS1669 (494.9) o EQ81
o TS1797 (354.4) o EQ97
[ EQ96 ] C1 ENERGY= 349.5 kJ/mol ( -1458.978421 Hartree)
Energy+ZPE= 352.3 kJ/mol ZPE= 0.0193202
CONNECTIONS:
o TS939 (401.2) o EQ22
o TS1670 (359.4) o EQ81
o TS1677 (356.8) o EQ87
o TS1678 (349.6) o EQ87
o TS1798 (548.9) o EQ96
o TS1799 (390.2) o EQ104
o TS1800 (366.8) o EQ104
o TS1801 (538.3) o EQ162
o TS1802 (846.3) o EQ566
[ EQ97 ] C1 ENERGY= 351.5 kJ/mol ( -1458.977665 Hartree)
Energy+ZPE= 351.8 kJ/mol ZPE= 0.0183570
CONNECTIONS:
o TS1102 (413.5) o EQ31
o TS1264 (359.3) o EQ37
o TS1582 (352.0) o EQ67
o TS1797 (354.4) o EQ95
o TS1803 (882.3) o EQ520
[ EQ98 ] C1 ENERGY= 353.5 kJ/mol ( -1458.976908 Hartree)
Energy+ZPE= 357.4 kJ/mol ZPE= 0.0197484
CONNECTIONS:
o TS74 (746.8) o EQ0
o TS731 (442.6) o EQ12
o TS1025 (372.9) o EQ27
o TS1401 (363.0) o EQ45
o TS1412 (397.1) o EQ46
o TS1616 (418.4) o EQ72
o TS1661 (366.1) o EQ80
o TS1779 (409.6) o EQ94
o TS1804 (485.9) o EQ116
o TS1805 (446.0) o EQ116
o TS1806 (447.6) o EQ125
o TS1807 (447.5) o EQ125
o TS1808 (875.3) o EQ658
o TS1809 (875.0) o EQ750
o UDC42 o
[ EQ99 ] C1 ENERGY= 353.6 kJ/mol ( -1458.976857 Hartree)
Energy+ZPE= 357.5 kJ/mol ZPE= 0.0197354
CONNECTIONS:
o TS1810 (490.6) o EQ133
o TS1811 (810.5) o EQ578
o UDC43 o
[ EQ100 ] Cs ENERGY= 354.1 kJ/mol ( -1458.976691 Hartree)
Energy+ZPE= 353.7 kJ/mol ZPE= 0.0180870
CONNECTIONS:
o TS732 (378.7) o EQ12
o TS1389 (416.0) o EQ44
o TS1693 (385.9) o EQ88
o TS1812 (395.9) o EQ114
o TS1813 (446.2) o EQ141
o TS1814 (989.2) o EQ580
o TS1815 (978.1) o EQ658
o TS1816 (833.3) o EQ660
o TS1817 (862.6) o EQ693
o TS1818 (838.3) o EQ699
o TS1819 (851.1) o EQ740
o TS1820 (878.7) o DDC70
o TS1821 (406.4) o DDC71
o UDC44 o
[ EQ101 ] C1 ENERGY= 354.3 kJ/mol ( -1458.976589 Hartree)
Energy+ZPE= 353.7 kJ/mol ZPE= 0.0180304
CONNECTIONS:
o TS733 (378.5) o EQ12
o TS960 (828.5) o EQ23
o TS1598 (767.5) o EQ70
o TS1673 (389.0) o EQ86
o TS1679 (547.2) o EQ87
o TS1694 (386.0) o EQ88
o TS1822 (468.7) o EQ133
o TS1823 (469.6) o EQ153
o TS1824 (994.0) o EQ174
o TS1825 (551.7) o EQ174
o TS1826 (546.2) o EQ179
o TS1827 (575.1) o EQ180
o TS1828 (864.7) o EQ449
o TS1829 (796.9) o EQ524
o TS1830 (889.3) o EQ606
o TS1831 (828.8) o EQ607
o TS1832 (834.2) o EQ631
o TS1833 (838.5) o EQ700
o TS1834 (1037.9) o EQ881
o TS1835 (400.5) o DDC72
o TS1836 (379.8) o DDC73
o UDC45 o
[ EQ102 ] C1 ENERGY= 355.6 kJ/mol ( -1458.976120 Hartree)
Energy+ZPE= 350.7 kJ/mol ZPE= 0.0163854
CONNECTIONS:
o TS1837 (356.3) o DDC74
o TS1838 (356.1) o DDC75
o TS1839 (356.1) o DDC76
o UDC46 o
[ EQ103 ] C1 ENERGY= 361.7 kJ/mol ( -1458.973799 Hartree)
Energy+ZPE= 362.7 kJ/mol ZPE= 0.0186258
CONNECTIONS:
o TS1066 (363.7) o EQ30
o TS1103 (361.7) o EQ31
o TS1840 (383.0) o EQ108
[ EQ104 ] C1 ENERGY= 363.8 kJ/mol ( -1458.972990 Hartree)
Energy+ZPE= 366.5 kJ/mol ZPE= 0.0192755
CONNECTIONS:
o TS1544 (394.0) o EQ59
o TS1545 (393.3) o EQ59
o TS1617 (396.8) o EQ72
o TS1680 (410.6) o EQ87
o TS1743 (395.2) o EQ89
o TS1799 (390.2) o EQ96
o TS1800 (366.8) o EQ96
o TS1841 (902.0) o EQ708
o TS1842 (910.3) o EQ713
o TS1843 (616.7) o DDC77
o UDC47 o
[ EQ105 ] C1 ENERGY= 364.4 kJ/mol ( -1458.972764 Hartree)
Energy+ZPE= 365.3 kJ/mol ZPE= 0.0186164
CONNECTIONS:
o TS295 (414.8) o EQ1
o TS1147 (387.3) o EQ33
o TS1148 (365.1) o EQ33
o TS1456 (403.7) o EQ53
o TS1844 (426.0) o EQ132
o TS1845 (520.9) o EQ146
o TS1846 (517.5) o EQ146
o TS1847 (410.6) o DDC78
o TS1848 (408.7) o DDC79
o TS1849 (408.7) o DDC80
o UDC48 o
[ EQ106 ] C1 ENERGY= 364.6 kJ/mol ( -1458.972663 Hartree)
Energy+ZPE= 364.2 kJ/mol ZPE= 0.0181101
CONNECTIONS:
o TS75 (374.8) o EQ0
o TS406 (374.2) o EQ2
o TS407 (368.9) o EQ2
o TS1067 (376.5) o EQ30
o TS1104 (383.4) o EQ31
o TS1105 (380.4) o EQ31
o TS1546 (415.8) o EQ59
o TS1547 (415.6) o EQ59
o TS1850 (672.3) o EQ229
o TS1851 (672.1) o EQ229
o TS1852 (667.2) o EQ229
o TS1853 (667.0) o EQ229
o TS1854 (689.0) o EQ309
o TS1855 (680.5) o EQ314
[ EQ107 ] Cs ENERGY= 380.7 kJ/mol ( -1458.966530 Hartree)
Energy+ZPE= 385.1 kJ/mol ZPE= 0.0199461
CONNECTIONS:
o TS961 (382.2) o EQ23
o TS1618 (462.3) o EQ72
o TS1856 (791.5) o EQ573
[ EQ108 ] Cs ENERGY= 380.8 kJ/mol ( -1458.966516 Hartree)
Energy+ZPE= 381.7 kJ/mol ZPE= 0.0185870
CONNECTIONS:
o TS541 (386.3) o EQ4
o TS734 (785.1) o EQ12
o TS1265 (389.0) o EQ37
o TS1548 (405.5) o EQ59
o TS1840 (383.0) o EQ103
o UDC49 o
[ EQ109 ] Cs ENERGY= 380.9 kJ/mol ( -1458.966469 Hartree)
Energy+ZPE= 385.3 kJ/mol ZPE= 0.0199237
CONNECTIONS:
o TS903 (437.9) o EQ16
o TS962 (382.3) o EQ23
o TS1500 (384.3) o EQ55
o TS1501 (384.1) o EQ55
o TS1857 (512.3) o EQ161
[ EQ110 ] Cs ENERGY= 383.6 kJ/mol ( -1458.965445 Hartree)
Energy+ZPE= 383.9 kJ/mol ZPE= 0.0183825
CONNECTIONS:
o TS296 (477.8) o EQ1
o TS1390 (390.3) o EQ44
o TS1457 (396.7) o EQ53
o TS1560 (404.1) o EQ60
o UDC50 o
[ EQ111 ] Cs ENERGY= 383.9 kJ/mol ( -1458.965328 Hartree)
Energy+ZPE= 386.6 kJ/mol ZPE= 0.0192991
CONNECTIONS:
o TS1858 (454.0) o EQ139
o TS1859 (689.8) o EQ286
[ EQ112 ] C2 ENERGY= 389.0 kJ/mol ( -1458.963399 Hartree)
Energy+ZPE= 388.1 kJ/mol ZPE= 0.0179254
CONNECTIONS:
o TS735 (410.5) o EQ12
o TS996 (415.4) o EQ25
o TS1149 (528.9) o EQ33
o TS1860 (393.0) o EQ113
o TS1861 (489.6) o EQ117
o TS1862 (470.8) o EQ159
o TS1863 (507.8) o EQ164
o TS1864 (527.6) o EQ167
o TS1865 (533.9) o EQ169
o TS1866 (792.1) o EQ270
o TS1867 (764.1) o EQ394
o TS1868 (764.0) o EQ394
o TS1869 (826.2) o EQ402
o TS1870 (784.5) o EQ493
o TS1871 (848.4) o EQ499
o TS1872 (811.1) o EQ558
o TS1873 (800.0) o EQ564
o TS1874 (818.3) o EQ652
o TS1875 (881.9) o EQ720
o TS1876 (919.1) o EQ750
o TS1877 (925.6) o DDC81
[ EQ113 ] C2 ENERGY= 391.2 kJ/mol ( -1458.962533 Hartree)
Energy+ZPE= 391.9 kJ/mol ZPE= 0.0185229
CONNECTIONS:
o TS940 (656.0) o EQ22
o TS1860 (393.0) o EQ112
o TS1878 (467.5) o EQ159
o TS1879 (751.7) o EQ232
o TS1880 (897.7) o EQ643
o TS1881 (867.7) o EQ643
o UDC51 o
[ EQ114 ] C1 ENERGY= 395.3 kJ/mol ( -1458.960983 Hartree)
Energy+ZPE= 395.6 kJ/mol ZPE= 0.0183618
CONNECTIONS:
o TS736 (511.8) o EQ12
o TS1812 (395.9) o EQ100
o TS1882 (422.4) o EQ129
o TS1883 (546.0) o EQ172
o TS1884 (590.6) o EQ174
o TS1885 (830.6) o EQ607
o TS1886 (946.2) o EQ734
o TS1887 (946.1) o EQ734
o TS1888 (971.3) o EQ838
o TS1889 (564.6) o DDC82
o TS1890 (416.7) o DDC83
o UDC52 o
[ EQ115 ] C1 ENERGY= 395.5 kJ/mol ( -1458.960922 Hartree)
Energy+ZPE= 395.7 kJ/mol ZPE= 0.0183439
CONNECTIONS:
o TS1695 (416.0) o EQ88
o TS1891 (510.2) o EQ131
[ EQ116 ] C1 ENERGY= 397.2 kJ/mol ( -1458.960246 Hartree)
Energy+ZPE= 400.3 kJ/mol ZPE= 0.0194378
CONNECTIONS:
o TS1413 (451.7) o EQ46
o TS1481 (421.1) o EQ54
o TS1804 (485.9) o EQ98
o TS1805 (446.0) o EQ98
o TS1892 (858.6) o EQ116
o TS1893 (495.7) o EQ116
o TS1894 (455.6) o EQ116
o TS1895 (404.3) o EQ116
o TS1896 (639.1) o EQ117
o TS1897 (430.5) o EQ124
o TS1898 (441.1) o EQ125
o TS1899 (450.0) o EQ126
o TS1900 (523.9) o EQ160
o TS1901 (692.6) o EQ335
o TS1902 (1101.5) o EQ402
o TS1903 (880.3) o EQ455
o TS1904 (746.1) o EQ456
o TS1905 (843.0) o EQ514
o TS1906 (827.1) o EQ664
o TS1907 (886.4) o EQ672
o TS1908 (855.4) o EQ675
o TS1909 (869.0) o EQ692
o TS1910 (884.9) o EQ723
o TS1911 (943.9) o DDC84
o UDC53 o
[ EQ117 ] C1 ENERGY= 397.4 kJ/mol ( -1458.960197 Hartree)
Energy+ZPE= 400.4 kJ/mol ZPE= 0.0194076
CONNECTIONS:
o TS941 (500.0) o EQ22
o TS963 (435.3) o EQ23
o TS1306 (470.7) o EQ39
o TS1307 (430.0) o EQ39
o TS1391 (863.5) o EQ44
o TS1414 (452.0) o EQ46
o TS1619 (776.1) o EQ72
o TS1759 (483.1) o EQ93
o TS1861 (489.6) o EQ112
o TS1896 (639.1) o EQ116
o TS1912 (856.8) o EQ117
o TS1913 (457.6) o EQ117
o TS1914 (404.5) o EQ117
o TS1915 (546.9) o EQ119
o TS1916 (489.4) o EQ119
o TS1917 (489.4) o EQ119
o TS1918 (440.9) o EQ125
o TS1919 (434.3) o EQ133
o TS1920 (457.5) o EQ134
o TS1921 (618.8) o EQ146
o TS1922 (543.6) o EQ177
o TS1923 (579.7) o EQ181
o TS1924 (695.0) o EQ199
o TS1925 (729.7) o EQ351
o TS1926 (855.3) o EQ544
o TS1927 (779.0) o EQ546
o TS1928 (848.1) o EQ664
o TS1929 (827.3) o EQ664
o TS1930 (881.8) o EQ673
o TS1931 (878.0) o EQ673
o TS1932 (869.2) o EQ692
o TS1933 (860.8) o EQ714
o UDC54 o
o UDC55 o
[ EQ118 ] C1 ENERGY= 397.6 kJ/mol ( -1458.960101 Hartree)
Energy+ZPE= 399.4 kJ/mol ZPE= 0.0189508
CONNECTIONS:
o TS737 (410.4) o EQ12
o TS1696 (456.5) o EQ88
o TS1934 (403.7) o EQ118
o TS1935 (428.2) o EQ119
o TS1936 (446.2) o EQ126
o TS1937 (566.3) o EQ160
o TS1938 (854.4) o EQ732
[ EQ119 ] C2 ENERGY= 397.9 kJ/mol ( -1458.960011 Hartree)
Energy+ZPE= 398.0 kJ/mol ZPE= 0.0182798
CONNECTIONS:
o TS76 (973.1) o EQ0
o TS738 (414.4) o EQ12
o TS1583 (422.3) o EQ67
o TS1915 (546.9) o EQ117
o TS1916 (489.4) o EQ117
o TS1917 (489.4) o EQ117
o TS1935 (428.2) o EQ118
o TS1939 (398.5) o EQ119
o TS1940 (561.8) o EQ174
o TS1941 (825.0) o EQ615
o TS1942 (819.9) o EQ638
o TS1943 (819.8) o EQ638
o TS1944 (880.9) o EQ774
o TS1945 (424.6) o DDC85
[ EQ120 ] Cs ENERGY= 400.5 kJ/mol ( -1458.958994 Hartree)
Energy+ZPE= 404.7 kJ/mol ZPE= 0.0198539
CONNECTIONS:
o TS1482 (876.3) o EQ54
o TS1620 (461.8) o EQ72
o TS1946 (678.7) o EQ120
o TS1947 (428.7) o EQ120
o TS1948 (865.2) o EQ133
o TS1949 (865.0) o EQ133
o TS1950 (432.8) o EQ137
o TS1951 (530.6) o EQ162
o TS1952 (557.0) o EQ173
o TS1953 (812.5) o EQ440
o TS1954 (924.6) o EQ468
o TS1955 (874.0) o EQ557
o TS1956 (867.6) o EQ675
o TS1957 (843.5) o EQ714
o TS1958 (841.0) o EQ714
o TS1959 (870.6) o EQ738
o TS1960 (934.6) o EQ756
o TS1961 (912.9) o EQ824
o UDC56 o
[ EQ121 ] C1 ENERGY= 402.3 kJ/mol ( -1458.958327 Hartree)
Energy+ZPE= 396.7 kJ/mol ZPE= 0.0161085
CONNECTIONS:
o TS1962 (404.9) o DDC86
[ EQ122 ] C2 ENERGY= 402.6 kJ/mol ( -1458.958219 Hartree)
Energy+ZPE= 404.7 kJ/mol ZPE= 0.0190477
CONNECTIONS:
o TS408 (431.8) o EQ2
o TS409 (422.2) o EQ2
o TS542 (446.3) o EQ4
o TS543 (446.2) o EQ4
o TS1963 (405.5) o EQ123
o TS1964 (691.0) o EQ286
o TS1965 (698.3) o EQ318
o TS1966 (496.8) o DDC87
[ EQ123 ] C1 ENERGY= 404.5 kJ/mol ( -1458.957499 Hartree)
Energy+ZPE= 407.2 kJ/mol ZPE= 0.0193028
CONNECTIONS:
o TS904 (413.7) o EQ16
o TS1523 (410.6) o EQ58
o TS1963 (405.5) o EQ122
[ EQ124 ] Cs ENERGY= 405.5 kJ/mol ( -1458.957085 Hartree)
Energy+ZPE= 410.0 kJ/mol ZPE= 0.0199686
CONNECTIONS:
o TS592 (897.9) o EQ6
o TS1308 (421.9) o EQ39
o TS1897 (430.5) o EQ116
o TS1967 (435.7) o EQ134
o TS1968 (433.1) o EQ137
o TS1969 (542.6) o EQ177
o TS1970 (697.3) o EQ358
o TS1971 (831.3) o EQ562
o UDC57 o
o UDC58 o
[ EQ125 ] C1 ENERGY= 406.0 kJ/mol ( -1458.956919 Hartree)
Energy+ZPE= 407.8 kJ/mol ZPE= 0.0189377
CONNECTIONS:
o TS410 (812.9) o EQ2
o TS1266 (438.2) o EQ37
o TS1309 (425.6) o EQ39
o TS1310 (410.9) o EQ39
o TS1338 (857.7) o EQ40
o TS1549 (448.4) o EQ59
o TS1697 (495.7) o EQ88
o TS1806 (447.6) o EQ98
o TS1807 (447.5) o EQ98
o TS1898 (441.1) o EQ116
o TS1918 (440.9) o EQ117
o TS1972 (1079.2) o EQ125
o TS1973 (418.9) o EQ125
o TS1974 (506.0) o EQ131
o TS1975 (565.1) o EQ133
o TS1976 (457.2) o EQ140
o TS1977 (457.0) o EQ140
o TS1978 (490.2) o EQ162
o TS1979 (490.0) o EQ162
o TS1980 (489.4) o EQ162
o TS1981 (583.9) o EQ172
o TS1982 (578.1) o EQ178
o TS1983 (633.7) o EQ191
o TS1984 (739.4) o EQ287
o TS1985 (792.5) o EQ301
o TS1986 (748.2) o EQ301
o TS1987 (834.5) o EQ531
o TS1988 (798.7) o EQ574
o TS1989 (798.9) o EQ575
o TS1990 (818.8) o EQ578
o TS1991 (791.7) o EQ578
o TS1992 (1064.3) o EQ610
o TS1993 (846.9) o EQ672
o TS1994 (846.8) o EQ673
o TS1995 (824.6) o EQ675
o TS1996 (889.6) o EQ683
o TS1997 (864.9) o EQ714
o TS1998 (523.3) o DDC88
o UDC59 o
o UDC60 o
[ EQ126 ] Cs ENERGY= 406.2 kJ/mol ( -1458.956823 Hartree)
Energy+ZPE= 409.1 kJ/mol ZPE= 0.0193542
CONNECTIONS:
o TS739 (466.4) o EQ12
o TS1068 (606.5) o EQ30
o TS1106 (537.0) o EQ31
o TS1107 (528.6) o EQ31
o TS1780 (584.5) o EQ94
o TS1899 (450.0) o EQ116
o TS1936 (446.2) o EQ118
o TS1999 (464.4) o EQ136
o TS2000 (587.2) o EQ147
o TS2001 (549.8) o EQ160
o TS2002 (568.2) o DDC89
o UDC61 o
[ EQ127 ] Cs ENERGY= 411.9 kJ/mol ( -1458.954684 Hartree)
Energy+ZPE= 414.8 kJ/mol ZPE= 0.0193610
CONNECTIONS:
o TS740 (532.7) o EQ12
o TS1760 (416.2) o EQ93
o TS2003 (541.0) o EQ127
o TS2004 (487.3) o EQ160
o TS2005 (496.7) o EQ164
o TS2006 (795.5) o EQ581
o UDC62 o
[ EQ128 ] C1 ENERGY= 415.0 kJ/mol ( -1458.953474 Hartree)
Energy+ZPE= 412.0 kJ/mol ZPE= 0.0171263
CONNECTIONS:
o TS2007 (569.9) o EQ180
o TS2008 (417.0) o DDC90
o TS2009 (415.1) o DDC91
[ EQ129 ] Cs ENERGY= 416.2 kJ/mol ( -1458.953027 Hartree)
Energy+ZPE= 415.8 kJ/mol ZPE= 0.0181212
CONNECTIONS:
o TS1882 (422.4) o EQ114
o TS2010 (422.7) o DDC92
o UDC63 o
[ EQ130 ] Cs ENERGY= 424.9 kJ/mol ( -1458.949723 Hartree)
Energy+ZPE= 425.8 kJ/mol ZPE= 0.0185839
CONNECTIONS:
o TS667 (473.9) o EQ11
o TS1458 (526.0) o EQ53
o TS1459 (459.8) o EQ53
o TS1460 (453.8) o EQ53
o TS1461 (438.1) o EQ53
o TS1653 (475.8) o EQ78
o TS1746 (503.9) o EQ90
o TS1781 (432.8) o EQ94
[ EQ131 ] C1 ENERGY= 425.3 kJ/mol ( -1458.949567 Hartree)
Energy+ZPE= 427.2 kJ/mol ZPE= 0.0189643
CONNECTIONS:
o TS1108 (511.1) o EQ31
o TS1891 (510.2) o EQ115
o TS1974 (506.0) o EQ125
o TS2011 (446.3) o EQ138
o TS2012 (582.5) o EQ145
o TS2013 (590.2) o EQ147
o TS2014 (479.1) o EQ153
o TS2015 (507.5) o EQ158
o TS2016 (836.6) o EQ606
o TS2017 (829.8) o EQ606
o TS2018 (812.2) o EQ634
o TS2019 (827.4) o EQ659
o TS2020 (576.3) o DDC93
o TS2021 (564.1) o DDC94
o TS2022 (467.9) o DDC95
o TS2023 (467.3) o DDC96
o UDC64 o
o UDC65 o
[ EQ132 ] C1 ENERGY= 425.7 kJ/mol ( -1458.949408 Hartree)
Energy+ZPE= 425.5 kJ/mol ZPE= 0.0181919
CONNECTIONS:
o TS1844 (426.0) o EQ105
o TS2024 (850.1) o EQ431
o TS2025 (834.0) o EQ431
o TS2026 (864.2) o EQ717
[ EQ133 ] C1 ENERGY= 426.4 kJ/mol ( -1458.949157 Hartree)
Energy+ZPE= 427.5 kJ/mol ZPE= 0.0186828
CONNECTIONS:
o TS1681 (516.2) o EQ87
o TS1698 (445.6) o EQ88
o TS1761 (429.4) o EQ93
o TS1810 (490.6) o EQ99
o TS1822 (468.7) o EQ101
o TS1919 (434.3) o EQ117
o TS1948 (865.2) o EQ120
o TS1949 (865.0) o EQ120
o TS1975 (565.1) o EQ125
o TS2027 (551.2) o EQ141
o TS2028 (476.6) o EQ158
o TS2029 (549.1) o EQ174
o TS2030 (768.1) o EQ199
o TS2031 (893.0) o EQ552
o TS2032 (899.2) o EQ677
o UDC66 o
o UDC67 o
[ EQ134 ] Cs ENERGY= 427.3 kJ/mol ( -1458.948818 Hartree)
Energy+ZPE= 432.3 kJ/mol ZPE= 0.0201764
CONNECTIONS:
o TS741 (627.7) o EQ12
o TS1524 (617.8) o EQ58
o TS1525 (588.9) o EQ58
o TS1920 (457.5) o EQ117
o TS1967 (435.7) o EQ124
o TS2033 (702.1) o EQ358
o TS2034 (948.2) o EQ789
o UDC68 o
o UDC69 o
[ EQ135 ] C1 ENERGY= 427.4 kJ/mol ( -1458.948765 Hartree)
Energy+ZPE= 426.1 kJ/mol ZPE= 0.0177766
CONNECTIONS:
o TS544 (427.4) o EQ4
o TS1662 (444.1) o EQ80
[ EQ136 ] C1 ENERGY= 428.9 kJ/mol ( -1458.948190 Hartree)
Energy+ZPE= 429.8 kJ/mol ZPE= 0.0186135
CONNECTIONS:
o TS742 (434.6) o EQ12
o TS1422 (546.4) o EQ49
o TS1699 (465.7) o EQ88
o TS1999 (464.4) o EQ126
o TS2035 (515.1) o EQ136
o TS2036 (930.6) o EQ820
o UDC70 o
[ EQ137 ] C1 ENERGY= 431.9 kJ/mol ( -1458.947060 Hartree)
Energy+ZPE= 434.5 kJ/mol ZPE= 0.0192587
CONNECTIONS:
o TS1483 (458.4) o EQ54
o TS1950 (432.8) o EQ120
o TS1968 (433.1) o EQ124
o TS2037 (590.1) o EQ164
o TS2038 (680.3) o EQ334
o UDC71 o
[ EQ138 ] C1 ENERGY= 437.1 kJ/mol ( -1458.945050 Hartree)
Energy+ZPE= 438.0 kJ/mol ZPE= 0.0185981
CONNECTIONS:
o TS997 (514.4) o EQ25
o TS1150 (523.8) o EQ33
o TS1151 (466.6) o EQ33
o TS1212 (530.1) o EQ36
o TS2011 (446.3) o EQ131
o TS2039 (468.8) o EQ141
o TS2040 (454.9) o EQ141
o TS2041 (467.5) o EQ144
o TS2042 (537.9) o EQ153
o TS2043 (517.2) o EQ157
o TS2044 (486.1) o EQ159
o TS2045 (890.8) o EQ702
o TS2046 (527.0) o DDC97
o UDC72 o
o UDC73 o
[ EQ139 ] C2v ENERGY= 441.1 kJ/mol ( -1458.943538 Hartree)
Energy+ZPE= 443.2 kJ/mol ZPE= 0.0190683
CONNECTIONS:
o TS1526 (501.2) o EQ58
o TS1573 (497.7) o EQ63
o TS1858 (454.0) o EQ111
o TS2047 (839.4) o EQ482
o UDC74 o
[ EQ140 ] Cs ENERGY= 441.3 kJ/mol ( -1458.943476 Hartree)
Energy+ZPE= 442.4 kJ/mol ZPE= 0.0186829
CONNECTIONS:
o TS1036 (572.4) o EQ29
o TS1213 (813.3) o EQ36
o TS1447 (454.6) o EQ51
o TS1976 (457.2) o EQ125
o TS1977 (457.0) o EQ125
o TS2048 (571.6) o EQ149
o TS2049 (460.2) o EQ155
o TS2050 (493.2) o EQ158
o TS2051 (524.6) o EQ162
o TS2052 (851.3) o EQ277
o TS2053 (850.6) o EQ438
o UDC75 o
o UDC76 o
[ EQ141 ] C1 ENERGY= 441.9 kJ/mol ( -1458.943244 Hartree)
Energy+ZPE= 442.4 kJ/mol ZPE= 0.0184321
CONNECTIONS:
o TS879 (479.2) o EQ15
o TS1813 (446.2) o EQ100
o TS2027 (551.2) o EQ133
o TS2039 (468.8) o EQ138
o TS2040 (454.9) o EQ138
o TS2054 (461.0) o DDC98
[ EQ142 ] C1 ENERGY= 441.9 kJ/mol ( -1458.943225 Hartree)
Energy+ZPE= 447.2 kJ/mol ZPE= 0.0202607
CONNECTIONS:
o TS905 (713.4) o EQ16
o TS1621 (460.3) o EQ72
o TS1622 (453.0) o EQ72
o TS2055 (738.2) o EQ142
o TS2056 (543.3) o EQ142
o UDC77 o
o UDC78 o
[ EQ143 ] Cs ENERGY= 447.1 kJ/mol ( -1458.941252 Hartree)
Energy+ZPE= 449.9 kJ/mol ZPE= 0.0193069
CONNECTIONS:
o TS2057 (512.8) o EQ161
[ EQ144 ] C2 ENERGY= 451.3 kJ/mol ( -1458.939671 Hartree)
Energy+ZPE= 452.5 kJ/mol ZPE= 0.0186962
CONNECTIONS:
o TS998 (491.3) o EQ25
o TS1267 (513.6) o EQ37
o TS2041 (467.5) o EQ138
o TS2058 (451.7) o EQ144
o TS2059 (463.0) o EQ151
o TS2060 (880.3) o EQ702
o TS2061 (494.0) o DDC99
o TS2062 (493.9) o DDC100
o UDC79 o
[ EQ145 ] C1 ENERGY= 451.8 kJ/mol ( -1458.939487 Hartree)
Energy+ZPE= 453.0 kJ/mol ZPE= 0.0187043
CONNECTIONS:
o TS743 (520.0) o EQ12
o TS1069 (515.9) o EQ30
o TS1462 (500.2) o EQ53
o TS1550 (548.4) o EQ59
o TS1762 (605.2) o EQ93
o TS1782 (518.9) o EQ94
o TS2012 (582.5) o EQ131
o TS2063 (583.8) o EQ147
o TS2064 (529.1) o EQ147
o TS2065 (503.0) o EQ147
o TS2066 (489.6) o EQ154
o UDC80 o
[ EQ146 ] C1 ENERGY= 452.0 kJ/mol ( -1458.939375 Hartree)
Energy+ZPE= 453.5 kJ/mol ZPE= 0.0188468
CONNECTIONS:
o TS1463 (528.3) o EQ53
o TS1464 (528.0) o EQ53
o TS1763 (475.7) o EQ93
o TS1845 (520.9) o EQ105
o TS1846 (517.5) o EQ105
o TS1921 (618.8) o EQ117
o TS2067 (625.4) o EQ146
o TS2068 (560.6) o EQ146
o TS2069 (467.2) o EQ159
o TS2070 (613.7) o EQ164
o TS2071 (606.8) o EQ164
o TS2072 (617.0) o EQ174
o TS2073 (583.7) o EQ187
o TS2074 (637.3) o EQ188
o TS2075 (593.2) o EQ188
o TS2076 (935.9) o EQ455
o TS2077 (858.4) o EQ489
o TS2078 (861.0) o EQ686
o TS2079 (870.9) o EQ697
o TS2080 (862.2) o EQ697
o TS2081 (865.0) o EQ717
o TS2082 (977.4) o EQ720
o TS2083 (637.2) o DDC101
o TS2084 (637.2) o DDC102
o TS2085 (633.1) o DDC103
o UDC81 o
o UDC82 o
[ EQ147 ] C1 ENERGY= 453.7 kJ/mol ( -1458.938728 Hartree)
Energy+ZPE= 454.7 kJ/mol ZPE= 0.0186507
CONNECTIONS:
o TS77 (526.1) o EQ0
o TS744 (489.7) o EQ12
o TS1551 (549.3) o EQ59
o TS1783 (498.0) o EQ94
o TS2000 (587.2) o EQ126
o TS2013 (590.2) o EQ131
o TS2063 (583.8) o EQ145
o TS2064 (529.1) o EQ145
o TS2065 (503.0) o EQ145
o TS2086 (851.2) o EQ620
o TS2087 (894.9) o EQ698
o UDC83 o
[ EQ148 ] C1 ENERGY= 453.8 kJ/mol ( -1458.938689 Hartree)
Energy+ZPE= 452.3 kJ/mol ZPE= 0.0176746
CONNECTIONS:
o TS411 (454.6) o EQ2
o TS1654 (505.9) o EQ78
o TS1784 (464.2) o EQ94
o TS2088 (978.3) o DDC104
o UDC84 o
[ EQ149 ] C1 ENERGY= 455.7 kJ/mol ( -1458.937976 Hartree)
Energy+ZPE= 456.6 kJ/mol ZPE= 0.0185964
CONNECTIONS:
o TS1037 (527.5) o EQ29
o TS1038 (527.5) o EQ29
o TS1268 (543.0) o EQ37
o TS1465 (509.6) o EQ53
o TS1466 (506.8) o EQ53
o TS1700 (504.4) o EQ88
o TS2048 (571.6) o EQ140
o TS2089 (538.4) o EQ171
o TS2090 (534.3) o EQ172
o TS2091 (841.8) o EQ595
o TS2092 (483.1) o DDC105
o UDC85 o
o UDC86 o
[ EQ150 ] Cs ENERGY= 456.8 kJ/mol ( -1458.937564 Hartree)
Energy+ZPE= 461.1 kJ/mol ZPE= 0.0199053
CONNECTIONS:
o TS906 (537.7) o EQ16
o TS1785 (505.1) o EQ94
o TS1786 (503.4) o EQ94
o TS2093 (607.1) o EQ150
o TS2094 (542.0) o EQ152
o TS2095 (457.1) o EQ152
o TS2096 (537.6) o EQ176
o TS2097 (546.7) o EQ179
o UDC87 o
o UDC88 o
[ EQ151 ] C1 ENERGY= 456.8 kJ/mol ( -1458.937556 Hartree)
Energy+ZPE= 457.6 kJ/mol ZPE= 0.0185463
CONNECTIONS:
o TS880 (461.1) o EQ15
o TS1152 (487.5) o EQ33
o TS1752 (506.1) o EQ92
o TS2059 (463.0) o EQ144
o TS2098 (504.5) o EQ158
o TS2099 (501.7) o EQ159
o TS2100 (867.1) o EQ489
o TS2101 (870.0) o EQ633
o TS2102 (852.4) o EQ696
o UDC89 o
[ EQ152 ] Cs ENERGY= 457.1 kJ/mol ( -1458.937449 Hartree)
Energy+ZPE= 461.2 kJ/mol ZPE= 0.0198353
CONNECTIONS:
o TS1402 (634.7) o EQ45
o TS1527 (594.9) o EQ58
o TS2094 (542.0) o EQ150
o TS2095 (457.1) o EQ150
o UDC90 o
[ EQ153 ] Cs ENERGY= 457.9 kJ/mol ( -1458.937136 Hartree)
Energy+ZPE= 458.4 kJ/mol ZPE= 0.0184541
CONNECTIONS:
o TS1787 (544.9) o EQ94
o TS1823 (469.6) o EQ101
o TS2014 (479.1) o EQ131
o TS2042 (537.9) o EQ138
o TS2103 (846.9) o EQ219
o TS2104 (788.9) o EQ394
o TS2105 (788.8) o EQ394
o TS2106 (840.5) o EQ677
o TS2107 (549.0) o DDC106
o TS2108 (513.7) o DDC107
o TS2109 (463.2) o DDC108
[ EQ154 ] C1 ENERGY= 458.7 kJ/mol ( -1458.936848 Hartree)
Energy+ZPE= 457.0 kJ/mol ZPE= 0.0176113
CONNECTIONS:
o TS745 (568.7) o EQ12
o TS746 (458.9) o EQ12
o TS1659 (519.9) o EQ79
o TS2066 (489.6) o EQ145
[ EQ155 ] C1 ENERGY= 459.4 kJ/mol ( -1458.936570 Hartree)
Energy+ZPE= 460.1 kJ/mol ZPE= 0.0185353
CONNECTIONS:
o TS297 (463.4) o EQ1
o TS1214 (462.8) o EQ36
o TS2049 (460.2) o EQ140
[ EQ156 ] C1 ENERGY= 460.9 kJ/mol ( -1458.935995 Hartree)
Energy+ZPE= 460.2 kJ/mol ZPE= 0.0179762
CONNECTIONS:
o TS298 (512.0) o EQ1
o TS412 (512.5) o EQ2
o TS1311 (466.7) o EQ39
[ EQ157 ] C2v ENERGY= 462.3 kJ/mol ( -1458.935467 Hartree)
Energy+ZPE= 466.4 kJ/mol ZPE= 0.0198053
CONNECTIONS:
o TS1109 (513.3) o EQ31
o TS1528 (579.6) o EQ58
o TS2043 (517.2) o EQ138
o TS2110 (860.9) o EQ760
o TS2111 (612.5) o DDC109
o UDC91 o
o UDC92 o
[ EQ158 ] Cs ENERGY= 463.2 kJ/mol ( -1458.935135 Hartree)
Energy+ZPE= 462.1 kJ/mol ZPE= 0.0178410
CONNECTIONS:
o TS1215 (477.2) o EQ36
o TS1312 (467.6) o EQ39
o TS1788 (475.5) o EQ94
o TS2015 (507.5) o EQ131
o TS2028 (476.6) o EQ133
o TS2050 (493.2) o EQ140
o TS2098 (504.5) o EQ151
o TS2112 (859.7) o EQ499
o TS2113 (817.2) o EQ618
o TS2114 (819.7) o EQ657
o TS2115 (882.6) o EQ677
[ EQ159 ] C1 ENERGY= 465.6 kJ/mol ( -1458.934221 Hartree)
Energy+ZPE= 465.7 kJ/mol ZPE= 0.0183055
CONNECTIONS:
o TS1313 (485.5) o EQ39
o TS1862 (470.8) o EQ112
o TS1878 (467.5) o EQ113
o TS2044 (486.1) o EQ138
o TS2069 (467.2) o EQ146
o TS2099 (501.7) o EQ151
[ EQ160 ] Cs ENERGY= 466.1 kJ/mol ( -1458.934034 Hartree)
Energy+ZPE= 468.1 kJ/mol ZPE= 0.0190328
CONNECTIONS:
o TS1403 (873.0) o EQ45
o TS1701 (553.5) o EQ88
o TS1900 (523.9) o EQ116
o TS1937 (566.3) o EQ118
o TS2001 (549.8) o EQ126
o TS2004 (487.3) o EQ127
o TS2116 (574.5) o EQ160
o TS2117 (523.1) o EQ170
o TS2118 (530.5) o EQ174
o TS2119 (656.0) o EQ191
o TS2120 (788.6) o EQ317
o TS2121 (823.2) o EQ339
o TS2122 (916.9) o EQ362
o TS2123 (749.2) o EQ469
o TS2124 (789.6) o EQ555
o TS2125 (832.0) o EQ688
o TS2126 (845.1) o EQ712
o TS2127 (844.9) o EQ712
o TS2128 (848.7) o EQ730
o TS2129 (963.8) o EQ852
o TS2130 (1058.9) o EQ888
o UDC93 o
o UDC94 o
[ EQ161 ] Cs ENERGY= 469.4 kJ/mol ( -1458.932778 Hartree)
Energy+ZPE= 472.6 kJ/mol ZPE= 0.0194733
CONNECTIONS:
o TS593 (582.5) o EQ6
o TS1269 (506.7) o EQ37
o TS1270 (489.6) o EQ37
o TS1529 (483.4) o EQ58
o TS1599 (509.0) o EQ70
o TS1623 (477.9) o EQ72
o TS1857 (512.3) o EQ109
o TS2057 (512.8) o EQ143
o UDC95 o
o UDC96 o
[ EQ162 ] C1 ENERGY= 477.2 kJ/mol ( -1458.929795 Hartree)
Energy+ZPE= 478.5 kJ/mol ZPE= 0.0187525
CONNECTIONS:
o TS1702 (493.3) o EQ88
o TS1801 (538.3) o EQ96
o TS1951 (530.6) o EQ120
o TS1978 (490.2) o EQ125
o TS1979 (490.0) o EQ125
o TS1980 (489.4) o EQ125
o TS2051 (524.6) o EQ140
o TS2131 (544.8) o DDC110
o UDC97 o
[ EQ163 ] C3 ENERGY= 485.8 kJ/mol ( -1458.926515 Hartree)
Energy+ZPE= 485.9 kJ/mol ZPE= 0.0182931
CONNECTIONS:
o TS545 (492.6) o EQ4
o TS942 (494.8) o EQ22
o TS1563 (489.7) o EQ61
[ EQ164 ] C1 ENERGY= 488.0 kJ/mol ( -1458.925681 Hartree)
Energy+ZPE= 490.1 kJ/mol ZPE= 0.0190399
CONNECTIONS:
o TS1467 (548.2) o EQ53
o TS1468 (538.4) o EQ53
o TS1863 (507.8) o EQ112
o TS2005 (496.7) o EQ127
o TS2037 (590.1) o EQ137
o TS2070 (613.7) o EQ146
o TS2071 (606.8) o EQ146
o TS2132 (884.6) o EQ164
o TS2133 (652.6) o EQ164
o TS2134 (567.0) o EQ172
o TS2135 (568.8) o EQ173
o TS2136 (551.5) o EQ173
o TS2137 (875.3) o EQ468
o TS2138 (852.8) o EQ741
o TS2139 (997.6) o DDC111
o TS2140 (565.4) o DDC112
o UDC98 o
[ EQ165 ] C1 ENERGY= 488.1 kJ/mol ( -1458.925644 Hartree)
Energy+ZPE= 485.7 kJ/mol ZPE= 0.0173568
CONNECTIONS:
o TS1110 (495.8) o EQ31
o TS1392 (493.6) o EQ44
o TS2141 (490.6) o DDC113
o TS2142 (489.5) o DDC114
[ EQ166 ] C1 ENERGY= 509.0 kJ/mol ( -1458.917673 Hartree)
Energy+ZPE= 509.9 kJ/mol ZPE= 0.0186117
CONNECTIONS:
o TS1111 (509.1) o EQ31
[ EQ167 ] C1 ENERGY= 512.5 kJ/mol ( -1458.916346 Hartree)
Energy+ZPE= 508.4 kJ/mol ZPE= 0.0166948
CONNECTIONS:
o TS1153 (512.8) o EQ33
o TS1314 (549.5) o EQ39
o TS1864 (527.6) o EQ112
[ EQ168 ] Cs ENERGY= 512.7 kJ/mol ( -1458.916277 Hartree)
Energy+ZPE= 515.4 kJ/mol ZPE= 0.0192962
CONNECTIONS:
o TS1574 (513.6) o EQ63
[ EQ169 ] C1 ENERGY= 518.1 kJ/mol ( -1458.914233 Hartree)
Energy+ZPE= 516.1 kJ/mol ZPE= 0.0174761
CONNECTIONS:
o TS1154 (533.2) o EQ33
o TS1703 (536.0) o EQ88
o TS1865 (533.9) o EQ112
o TS2143 (561.3) o EQ174
o TS2144 (565.2) o EQ180
o TS2145 (591.2) o EQ191
o TS2146 (647.1) o EQ194
o TS2147 (773.3) o EQ494
o TS2148 (773.5) o EQ498
o TS2149 (817.2) o EQ587
o TS2150 (821.8) o EQ633
o TS2151 (885.2) o DDC115
o TS2152 (533.2) o DDC116
o TS2153 (533.0) o DDC117
o UDC99 o
[ EQ170 ] C3v ENERGY= 521.5 kJ/mol ( -1458.912919 Hartree)
Energy+ZPE= 520.3 kJ/mol ZPE= 0.0178035
CONNECTIONS:
o TS747 (794.5) o EQ12
o TS1764 (572.6) o EQ93
o TS2117 (523.1) o EQ160
o TS2154 (1259.5) o EQ734
o UDC100 o
[ EQ171 ] C1 ENERGY= 524.4 kJ/mol ( -1458.911818 Hartree)
Energy+ZPE= 522.2 kJ/mol ZPE= 0.0174275
CONNECTIONS:
o TS2089 (538.4) o EQ149
o TS2155 (657.0) o EQ172
o TS2156 (525.3) o DDC118
[ EQ172 ] C1 ENERGY= 524.5 kJ/mol ( -1458.911783 Hartree)
Energy+ZPE= 522.7 kJ/mol ZPE= 0.0175819
CONNECTIONS:
o TS1704 (597.5) o EQ88
o TS1883 (546.0) o EQ114
o TS1981 (583.9) o EQ125
o TS2090 (534.3) o EQ149
o TS2134 (567.0) o EQ164
o TS2155 (657.0) o EQ171
o TS2157 (533.7) o DDC119
o TS2158 (532.9) o DDC120
[ EQ173 ] C1 ENERGY= 528.9 kJ/mol ( -1458.910105 Hartree)
Energy+ZPE= 527.4 kJ/mol ZPE= 0.0176994
CONNECTIONS:
o TS1185 (540.7) o EQ34
o TS1186 (539.0) o EQ34
o TS1187 (535.3) o EQ34
o TS1502 (578.7) o EQ55
o TS1655 (597.9) o EQ78
o TS1952 (557.0) o EQ120
o TS2135 (568.8) o EQ164
o TS2136 (551.5) o EQ164
o TS2159 (907.0) o EQ819
o TS2160 (759.6) o DDC121
o TS2161 (676.3) o DDC122
o UDC101 o
o UDC102 o
[ EQ174 ] C1 ENERGY= 529.1 kJ/mol ( -1458.910025 Hartree)
Energy+ZPE= 529.9 kJ/mol ZPE= 0.0185786
CONNECTIONS:
o TS1705 (579.0) o EQ88
o TS1824 (994.0) o EQ101
o TS1825 (551.7) o EQ101
o TS1884 (590.6) o EQ114
o TS1940 (561.8) o EQ119
o TS2029 (549.1) o EQ133
o TS2072 (617.0) o EQ146
o TS2118 (530.5) o EQ160
o TS2143 (561.3) o EQ169
o TS2162 (623.6) o EQ174
o TS2163 (616.9) o EQ174
o TS2164 (543.7) o EQ174
o TS2165 (632.0) o EQ191
o TS2166 (899.3) o DDC123
o TS2167 (617.2) o DDC124
[ EQ175 ] C1 ENERGY= 529.6 kJ/mol ( -1458.909854 Hartree)
Energy+ZPE= 531.2 kJ/mol ZPE= 0.0188607
CONNECTIONS:
o TS907 (572.3) o EQ16
o TS1271 (534.5) o EQ37
o TS1530 (538.5) o EQ58
o TS1624 (536.6) o EQ72
o TS2168 (719.0) o EQ358
o UDC103 o
[ EQ176 ] C1 ENERGY= 532.2 kJ/mol ( -1458.908863 Hartree)
Energy+ZPE= 531.5 kJ/mol ZPE= 0.0180025
CONNECTIONS:
o TS908 (532.2) o EQ16
o TS2096 (537.6) o EQ150
o UDC104 o
[ EQ177 ] Cs ENERGY= 541.9 kJ/mol ( -1458.905168 Hartree)
Energy+ZPE= 542.1 kJ/mol ZPE= 0.0183151
CONNECTIONS:
o TS943 (544.0) o EQ22
o TS1922 (543.6) o EQ117
o TS1969 (542.6) o EQ124
o UDC105 o
[ EQ178 ] C1 ENERGY= 546.1 kJ/mol ( -1458.903555 Hartree)
Energy+ZPE= 546.5 kJ/mol ZPE= 0.0183934
CONNECTIONS:
o TS1682 (548.3) o EQ87
o TS1982 (578.1) o EQ125
o TS2169 (547.7) o EQ179
[ EQ179 ] Cs ENERGY= 546.2 kJ/mol ( -1458.903530 Hartree)
Energy+ZPE= 545.8 kJ/mol ZPE= 0.0180917
CONNECTIONS:
o TS1826 (546.2) o EQ101
o TS2097 (546.7) o EQ150
o TS2169 (547.7) o EQ178
[ EQ180 ] C1 ENERGY= 546.2 kJ/mol ( -1458.903507 Hartree)
Energy+ZPE= 544.7 kJ/mol ZPE= 0.0176710
CONNECTIONS:
o TS1706 (580.7) o EQ88
o TS1827 (575.1) o EQ101
o TS2007 (569.9) o EQ128
o TS2144 (565.2) o EQ169
o TS2170 (580.5) o DDC125
o TS2171 (572.6) o DDC126
[ EQ181 ] C1 ENERGY= 563.9 kJ/mol ( -1458.896762 Hartree)
Energy+ZPE= 563.3 kJ/mol ZPE= 0.0180321
CONNECTIONS:
o TS1272 (592.0) o EQ37
o TS1789 (564.1) o EQ94
o TS1923 (579.7) o EQ117
[ EQ182 ] C1 ENERGY= 564.1 kJ/mol ( -1458.896712 Hartree)
Energy+ZPE= 563.5 kJ/mol ZPE= 0.0180324
CONNECTIONS:
o TS1790 (570.7) o EQ94
[ EQ183 ] C1 ENERGY= 572.9 kJ/mol ( -1458.893336 Hartree)
Energy+ZPE= 565.6 kJ/mol ZPE= 0.0154667
CONNECTIONS:
o TS299 (573.7) o EQ1
o TS1112 (573.7) o EQ31
[ EQ184 ] C1 ENERGY= 576.6 kJ/mol ( -1458.891929 Hartree)
Energy+ZPE= 567.1 kJ/mol ZPE= 0.0146506
CONNECTIONS:
o TS78 (576.8) o EQ0
o TS2172 (580.7) o DDC127
o TS2173 (576.7) o DDC128
[ EQ185 ] C1 ENERGY= 577.2 kJ/mol ( -1458.891714 Hartree)
Energy+ZPE= 575.3 kJ/mol ZPE= 0.0175310
CONNECTIONS:
o TS561 (597.5) o EQ5
o TS2174 (595.8) o EQ186
[ EQ186 ] C1 ENERGY= 577.3 kJ/mol ( -1458.891658 Hartree)
Energy+ZPE= 575.3 kJ/mol ZPE= 0.0175027
CONNECTIONS:
o TS79 (725.5) o EQ0
o TS80 (683.4) o EQ0
o TS81 (647.3) o EQ0
o TS82 (611.9) o EQ0
o TS83 (604.4) o EQ0
o TS562 (603.8) o EQ5
o TS563 (597.6) o EQ5
o TS944 (764.7) o EQ22
o TS2174 (595.8) o EQ185
o TS2175 (595.9) o EQ186
o TS2176 (654.1) o EQ230
o TS2177 (647.9) o EQ251
o TS2178 (647.8) o EQ251
o TS2179 (687.1) o EQ256
o TS2180 (642.5) o EQ261
o TS2181 (652.5) o EQ272
o TS2182 (735.8) o EQ280
o TS2183 (739.0) o EQ285
o TS2184 (672.3) o EQ289
o TS2185 (672.1) o EQ289
o TS2186 (667.1) o EQ294
[ EQ187 ] Ci ENERGY= 581.1 kJ/mol ( -1458.890225 Hartree)
Energy+ZPE= 580.7 kJ/mol ZPE= 0.0181125
CONNECTIONS:
o TS2073 (583.7) o EQ146
o TS2187 (676.7) o EQ187
[ EQ188 ] C1 ENERGY= 583.8 kJ/mol ( -1458.889182 Hartree)
Energy+ZPE= 583.5 kJ/mol ZPE= 0.0181301
CONNECTIONS:
o TS2074 (637.3) o EQ146
o TS2075 (593.2) o EQ146
o TS2188 (683.6) o EQ188
o TS2189 (623.2) o DDC129
[ EQ189 ] Cs ENERGY= 584.6 kJ/mol ( -1458.888894 Hartree)
Energy+ZPE= 583.4 kJ/mol ZPE= 0.0178009
CONNECTIONS:
o TS748 (842.4) o EQ12
o TS1516 (823.3) o EQ57
o TS1707 (767.4) o EQ88
o TS1708 (733.8) o EQ88
o TS2190 (625.8) o EQ198
o TS2191 (848.0) o EQ455
o TS2192 (782.9) o EQ567
o TS2193 (958.6) o EQ846
o TS2194 (1231.5) o EQ903
[ EQ190 ] Cs ENERGY= 584.8 kJ/mol ( -1458.888827 Hartree)
Energy+ZPE= 583.5 kJ/mol ZPE= 0.0177700
CONNECTIONS:
o TS84 (757.6) o EQ0
o TS749 (816.9) o EQ12
o TS1674 (670.7) o EQ86
o TS1709 (651.0) o EQ88
o TS1710 (650.9) o EQ88
o TS2195 (864.4) o EQ190
o TS2196 (626.0) o EQ198
o TS2197 (711.8) o EQ211
o TS2198 (711.9) o EQ212
o TS2199 (643.8) o EQ257
o TS2200 (666.2) o EQ278
o TS2201 (664.4) o EQ299
o TS2202 (712.2) o EQ338
o TS2203 (723.4) o EQ370
o TS2204 (865.9) o EQ513
o TS2205 (865.8) o EQ513
o TS2206 (831.0) o EQ611
o TS2207 (805.6) o EQ611
o TS2208 (899.4) o EQ651
o TS2209 (880.3) o EQ748
o TS2210 (860.9) o EQ751
o TS2211 (665.8) o DDC130
[ EQ191 ] Cs ENERGY= 588.9 kJ/mol ( -1458.887241 Hartree)
Energy+ZPE= 587.3 kJ/mol ZPE= 0.0176439
CONNECTIONS:
o TS1983 (633.7) o EQ125
o TS2119 (656.0) o EQ160
o TS2145 (591.2) o EQ169
o TS2165 (632.0) o EQ174
[ EQ192 ] C1 ENERGY= 589.9 kJ/mol ( -1458.886853 Hartree)
Energy+ZPE= 588.5 kJ/mol ZPE= 0.0177187
CONNECTIONS:
o TS413 (665.0) o EQ2
o TS414 (664.9) o EQ2
o TS594 (617.0) o EQ6
o TS595 (590.7) o EQ6
o TS596 (590.6) o EQ6
o TS964 (796.0) o EQ23
o TS2212 (698.1) o EQ229
o TS2213 (645.5) o EQ254
o TS2214 (645.3) o EQ254
o TS2215 (702.1) o EQ257
o TS2216 (749.1) o EQ263
o TS2217 (759.7) o EQ270
o TS2218 (715.9) o EQ286
o TS2219 (783.6) o EQ312
o TS2220 (712.4) o EQ362
o TS2221 (713.9) o EQ387
o TS2222 (784.3) o EQ548
o TS2223 (807.5) o EQ586
[ EQ193 ] C1 ENERGY= 590.1 kJ/mol ( -1458.886801 Hartree)
Energy+ZPE= 588.6 kJ/mol ZPE= 0.0176951
CONNECTIONS:
o TS85 (686.2) o EQ0
o TS86 (686.1) o EQ0
o TS415 (713.8) o EQ2
o TS2224 (710.4) o EQ197
o TS2225 (704.8) o EQ197
o TS2226 (689.3) o EQ197
o TS2227 (768.0) o EQ254
o TS2228 (701.8) o EQ257
o TS2229 (712.3) o EQ362
o TS2230 (713.7) o EQ386
o TS2231 (791.7) o EQ506
[ EQ194 ] Td ENERGY= 590.4 kJ/mol ( -1458.886690 Hartree)
Energy+ZPE= 588.6 kJ/mol ZPE= 0.0175670
CONNECTIONS:
o TS2146 (647.1) o EQ169
o TS2232 (638.4) o DDC131
o UDC106 o
[ EQ195 ] Cs ENERGY= 591.3 kJ/mol ( -1458.886352 Hartree)
Energy+ZPE= 590.9 kJ/mol ZPE= 0.0180878
CONNECTIONS:
o TS630 (608.2) o EQ7
o TS2233 (689.3) o EQ224
o TS2234 (630.6) o EQ225
o TS2235 (950.4) o EQ234
o TS2236 (743.7) o EQ243
[ EQ196 ] Cs ENERGY= 591.4 kJ/mol ( -1458.886305 Hartree)
Energy+ZPE= 590.9 kJ/mol ZPE= 0.0180655
CONNECTIONS:
o TS2237 (691.4) o EQ285
o TS2238 (848.8) o EQ429
o TS2239 (989.3) o EQ467
o TS2240 (901.4) o EQ707
[ EQ197 ] C1 ENERGY= 594.5 kJ/mol ( -1458.885120 Hartree)
Energy+ZPE= 596.6 kJ/mol ZPE= 0.0190526
CONNECTIONS:
o TS87 (614.8) o EQ0
o TS300 (668.3) o EQ1
o TS416 (693.7) o EQ2
o TS546 (648.5) o EQ4
o TS668 (599.0) o EQ11
o TS1503 (733.0) o EQ55
o TS1625 (954.7) o EQ72
o TS1626 (919.8) o EQ72
o TS2224 (710.4) o EQ193
o TS2225 (704.8) o EQ193
o TS2226 (689.3) o EQ193
o TS2241 (702.4) o EQ197
o TS2242 (658.8) o EQ197
o TS2243 (748.1) o EQ199
o TS2244 (702.5) o EQ199
o TS2245 (695.7) o EQ199
o TS2246 (688.4) o EQ199
o TS2247 (669.6) o EQ199
o TS2248 (605.7) o EQ199
o TS2249 (766.9) o EQ240
o TS2250 (869.3) o EQ293
o TS2251 (723.7) o EQ312
o TS2252 (725.2) o EQ385
o TS2253 (717.0) o EQ412
o TS2254 (734.4) o EQ413
o TS2255 (727.2) o EQ413
o TS2256 (727.1) o EQ413
o TS2257 (790.8) o EQ444
o TS2258 (760.0) o EQ475
o TS2259 (938.7) o EQ623
o TS2260 (815.6) o EQ636
o TS2261 (846.4) o EQ721
[ EQ198 ] C1 ENERGY= 594.8 kJ/mol ( -1458.885002 Hartree)
Energy+ZPE= 594.6 kJ/mol ZPE= 0.0181956
CONNECTIONS:
o TS2190 (625.8) o EQ189
o TS2196 (626.0) o EQ190
o TS2262 (621.2) o EQ207
o TS2263 (707.2) o EQ208
o TS2264 (629.5) o EQ221
o TS2265 (866.1) o EQ674
o TS2266 (596.8) o DDC132
[ EQ199 ] C1 ENERGY= 600.1 kJ/mol ( -1458.882987 Hartree)
Energy+ZPE= 602.3 kJ/mol ZPE= 0.0190989
CONNECTIONS:
o TS417 (681.2) o EQ2
o TS631 (711.5) o EQ7
o TS965 (653.4) o EQ23
o TS1436 (662.9) o EQ50
o TS1448 (662.7) o EQ51
o TS1567 (734.9) o EQ62
o TS1568 (669.6) o EQ62
o TS1627 (735.7) o EQ72
o TS1924 (695.0) o EQ117
o TS2030 (768.1) o EQ133
o TS2243 (748.1) o EQ197
o TS2244 (702.5) o EQ197
o TS2245 (695.7) o EQ197
o TS2246 (688.4) o EQ197
o TS2247 (669.6) o EQ197
o TS2248 (605.7) o EQ197
o TS2267 (991.6) o EQ199
o TS2268 (705.4) o EQ199
o TS2269 (700.2) o EQ199
o TS2270 (734.2) o EQ219
o TS2271 (664.5) o EQ219
o TS2272 (671.6) o EQ222
o TS2273 (671.8) o EQ224
o TS2274 (959.2) o EQ270
o TS2275 (750.1) o EQ270
o TS2276 (868.5) o EQ293
o TS2277 (827.7) o EQ293
o TS2278 (818.4) o EQ298
o TS2279 (662.5) o EQ303
o TS2280 (677.5) o EQ311
o TS2281 (758.9) o EQ332
o TS2282 (758.7) o EQ332
o TS2283 (679.3) o EQ335
o TS2284 (882.5) o EQ347
o TS2285 (701.8) o EQ369
o TS2286 (701.6) o EQ369
o TS2287 (864.3) o EQ374
o TS2288 (725.7) o EQ411
o TS2289 (863.2) o EQ440
o TS2290 (761.7) o EQ475
o TS2291 (800.6) o EQ549
o TS2292 (850.1) o EQ562
o TS2293 (839.8) o EQ670
o TS2294 (915.8) o EQ827
o TS2295 (991.4) o EQ869
[ EQ200 ] C1 ENERGY= 603.6 kJ/mol ( -1458.881641 Hartree)
Energy+ZPE= 602.8 kJ/mol ZPE= 0.0179465
CONNECTIONS:
o TS88 (632.2) o EQ0
o TS632 (610.0) o EQ7
o TS966 (666.6) o EQ23
o TS2296 (639.3) o EQ213
o TS2297 (759.1) o EQ219
o TS2298 (669.1) o EQ219
o TS2299 (634.7) o EQ219
o TS2300 (690.2) o EQ222
o TS2301 (741.5) o EQ224
o TS2302 (690.4) o EQ224
o TS2303 (714.6) o EQ231
o TS2304 (676.2) o EQ232
o TS2305 (652.6) o EQ234
o TS2306 (776.2) o EQ248
o TS2307 (812.2) o EQ310
o TS2308 (789.3) o EQ310
o TS2309 (753.5) o EQ314
o TS2310 (675.8) o EQ333
o TS2311 (724.3) o EQ405
o TS2312 (870.0) o EQ725
o TS2313 (1196.5) o EQ900
o TS2314 (860.1) o DDC133
[ EQ201 ] C1 ENERGY= 603.8 kJ/mol ( -1458.881576 Hartree)
Energy+ZPE= 602.9 kJ/mol ZPE= 0.0179219
CONNECTIONS:
o TS633 (610.2) o EQ7
o TS945 (666.4) o EQ22
o TS2315 (638.4) o EQ204
o TS2316 (633.9) o EQ231
o TS2317 (732.6) o EQ391
[ EQ202 ] C1 ENERGY= 605.0 kJ/mol ( -1458.881108 Hartree)
Energy+ZPE= 606.7 kJ/mol ZPE= 0.0189128
CONNECTIONS:
o TS301 (608.5) o EQ1
o TS2318 (654.8) o EQ203
o TS2319 (706.3) o EQ244
o TS2320 (677.2) o EQ271
o TS2321 (715.7) o EQ383
o TS2322 (880.0) o EQ480
o TS2323 (942.9) o EQ586
o TS2324 (832.1) o EQ673
o TS2325 (875.4) o EQ686
o TS2326 (842.7) o EQ689
o TS2327 (882.2) o EQ749
o TS2328 (860.2) o EQ761
[ EQ203 ] C1 ENERGY= 605.2 kJ/mol ( -1458.881058 Hartree)
Energy+ZPE= 606.9 kJ/mol ZPE= 0.0188874
CONNECTIONS:
o TS302 (608.6) o EQ1
o TS1155 (663.3) o EQ33
o TS1216 (824.8) o EQ36
o TS2318 (654.8) o EQ202
o TS2329 (688.6) o EQ203
o TS2330 (693.1) o EQ208
o TS2331 (710.6) o EQ244
o TS2332 (657.8) o EQ252
o TS2333 (700.1) o EQ268
o TS2334 (677.0) o EQ271
o TS2335 (686.9) o EQ278
o TS2336 (664.2) o EQ299
o TS2337 (662.9) o EQ304
o TS2338 (662.7) o EQ304
o TS2339 (686.5) o EQ328
o TS2340 (717.0) o EQ384
o TS2341 (861.6) o EQ455
o TS2342 (868.1) o EQ500
o TS2343 (842.6) o EQ689
o TS2344 (859.9) o EQ761
[ EQ204 ] Cs ENERGY= 607.0 kJ/mol ( -1458.880351 Hartree)
Energy+ZPE= 606.8 kJ/mol ZPE= 0.0181813
CONNECTIONS:
o TS89 (812.4) o EQ0
o TS90 (759.4) o EQ0
o TS91 (666.3) o EQ0
o TS303 (643.6) o EQ1
o TS304 (634.8) o EQ1
o TS305 (634.3) o EQ1
o TS634 (654.6) o EQ7
o TS750 (800.8) o EQ12
o TS999 (677.0) o EQ25
o TS2315 (638.4) o EQ201
o TS2345 (759.1) o EQ204
o TS2346 (697.0) o EQ204
o TS2347 (631.2) o EQ213
o TS2348 (649.0) o EQ226
o TS2349 (680.4) o EQ227
o TS2350 (725.5) o EQ232
o TS2351 (670.5) o EQ232
o TS2352 (754.2) o EQ235
o TS2353 (680.8) o EQ238
o TS2354 (680.7) o EQ240
o TS2355 (658.8) o EQ282
o TS2356 (842.6) o EQ309
o TS2357 (820.0) o EQ475
o TS2358 (974.1) o EQ840
o TS2359 (680.2) o DDC134
[ EQ205 ] Cs ENERGY= 607.3 kJ/mol ( -1458.880252 Hartree)
Energy+ZPE= 608.9 kJ/mol ZPE= 0.0188817
CONNECTIONS:
o TS863 (700.8) o EQ13
o TS909 (615.7) o EQ16
o TS910 (613.6) o EQ16
o TS1564 (620.9) o EQ61
o UDC107 o
[ EQ206 ] C1 ENERGY= 610.7 kJ/mol ( -1458.878964 Hartree)
Energy+ZPE= 607.6 kJ/mol ZPE= 0.0170791
CONNECTIONS:
o TS2360 (779.9) o EQ312
o TS2361 (679.9) o EQ339
o TS2362 (798.6) o EQ489
o TS2363 (610.8) o DDC135
[ EQ207 ] C1 ENERGY= 612.1 kJ/mol ( -1458.878421 Hartree)
Energy+ZPE= 612.7 kJ/mol ZPE= 0.0184689
CONNECTIONS:
o TS92 (639.1) o EQ0
o TS306 (640.2) o EQ1
o TS418 (669.7) o EQ2
o TS1711 (656.1) o EQ88
o TS2262 (621.2) o EQ198
o TS2364 (830.3) o EQ207
o TS2365 (647.7) o EQ215
o TS2366 (660.7) o EQ230
o TS2367 (648.8) o EQ247
o TS2368 (746.1) o EQ266
o TS2369 (746.3) o EQ278
o TS2370 (692.1) o EQ278
o TS2371 (679.7) o EQ280
o TS2372 (772.2) o EQ326
o TS2373 (748.5) o EQ326
o TS2374 (714.0) o EQ339
o TS2375 (843.6) o EQ400
o TS2376 (728.9) o EQ404
o TS2377 (780.7) o EQ432
o TS2378 (758.5) o EQ432
o TS2379 (796.8) o EQ497
o TS2380 (866.7) o EQ504
o TS2381 (797.2) o EQ504
o TS2382 (837.8) o EQ551
o TS2383 (826.5) o EQ551
o TS2384 (859.8) o EQ610
o TS2385 (843.7) o EQ610
o TS2386 (803.3) o EQ611
o TS2387 (808.4) o EQ612
o TS2388 (893.5) o EQ751
o TS2389 (672.0) o DDC136
[ EQ208 ] C1 ENERGY= 615.2 kJ/mol ( -1458.877229 Hartree)
Energy+ZPE= 614.9 kJ/mol ZPE= 0.0181428
CONNECTIONS:
o TS93 (696.8) o EQ0
o TS751 (654.7) o EQ12
o TS752 (642.9) o EQ12
o TS881 (812.5) o EQ15
o TS1712 (646.4) o EQ88
o TS2263 (707.2) o EQ198
o TS2330 (693.1) o EQ203
o TS2390 (736.8) o EQ208
o TS2391 (662.2) o EQ215
o TS2392 (732.0) o EQ220
o TS2393 (690.2) o EQ220
o TS2394 (690.0) o EQ221
o TS2395 (848.7) o EQ229
o TS2396 (672.9) o EQ245
o TS2397 (715.9) o EQ251
o TS2398 (689.0) o EQ254
o TS2399 (688.7) o EQ254
o TS2400 (824.2) o EQ256
o TS2401 (675.6) o EQ256
o TS2402 (782.3) o EQ315
o TS2403 (692.1) o EQ321
o TS2404 (692.4) o EQ324
o TS2405 (709.4) o EQ330
o TS2406 (827.5) o EQ342
o TS2407 (679.5) o EQ342
o TS2408 (757.8) o EQ355
o TS2409 (757.7) o EQ355
o TS2410 (756.1) o EQ355
o TS2411 (727.0) o EQ355
o TS2412 (698.8) o EQ359
o TS2413 (748.8) o EQ406
o TS2414 (749.7) o EQ416
o TS2415 (774.1) o EQ538
o TS2416 (794.8) o EQ564
o TS2417 (790.1) o EQ580
o TS2418 (797.5) o EQ598
o TS2419 (886.7) o EQ606
o TS2420 (841.5) o EQ615
o TS2421 (836.4) o EQ619
o TS2422 (831.0) o EQ631
o TS2423 (824.0) o EQ657
o TS2424 (825.3) o EQ676
o TS2425 (1018.3) o EQ877
[ EQ209 ] C1 ENERGY= 615.3 kJ/mol ( -1458.877182 Hartree)
Energy+ZPE= 614.9 kJ/mol ZPE= 0.0181205
CONNECTIONS:
o TS2426 (861.2) o EQ215
o TS2427 (827.1) o EQ355
o TS2428 (842.4) o EQ480
o TS2429 (785.6) o EQ490
o TS2430 (841.8) o EQ595
o TS2431 (841.0) o EQ676
o TS2432 (833.1) o EQ684
o TS2433 (835.8) o DDC137
[ EQ210 ] Cs ENERGY= 615.7 kJ/mol ( -1458.877026 Hartree)
Energy+ZPE= 616.1 kJ/mol ZPE= 0.0183941
CONNECTIONS:
o TS2434 (622.6) o EQ213
o TS2435 (639.2) o EQ219
o TS2436 (639.5) o EQ242
o TS2437 (706.2) o EQ354
[ EQ211 ] C1 ENERGY= 619.6 kJ/mol ( -1458.875546 Hartree)
Energy+ZPE= 617.6 kJ/mol ZPE= 0.0175075
CONNECTIONS:
o TS94 (650.6) o EQ0
o TS95 (619.9) o EQ0
o TS2197 (711.8) o EQ190
o TS2438 (692.7) o EQ256
o TS2439 (663.9) o EQ307
o TS2440 (690.8) o EQ314
o TS2441 (849.6) o EQ404
[ EQ212 ] C1 ENERGY= 619.8 kJ/mol ( -1458.875496 Hartree)
Energy+ZPE= 617.8 kJ/mol ZPE= 0.0175020
CONNECTIONS:
o TS96 (696.7) o EQ0
o TS97 (672.9) o EQ0
o TS98 (650.8) o EQ0
o TS99 (620.1) o EQ0
o TS564 (849.6) o EQ5
o TS2198 (711.9) o EQ190
o TS2442 (710.1) o EQ366
[ EQ213 ] C1 ENERGY= 621.7 kJ/mol ( -1458.874770 Hartree)
Energy+ZPE= 622.1 kJ/mol ZPE= 0.0184050
CONNECTIONS:
o TS307 (637.4) o EQ1
o TS2296 (639.3) o EQ200
o TS2347 (631.2) o EQ204
o TS2434 (622.6) o EQ210
o TS2443 (686.2) o EQ282
o TS2444 (905.0) o EQ535
[ EQ214 ] C1 ENERGY= 622.6 kJ/mol ( -1458.874396 Hartree)
Energy+ZPE= 621.6 kJ/mol ZPE= 0.0178906
CONNECTIONS:
o TS1644 (887.4) o EQ75
o TS2445 (732.9) o EQ214
o TS2446 (843.6) o EQ256
o TS2447 (730.0) o EQ355
o TS2448 (708.9) o EQ355
o TS2449 (826.9) o EQ364
o TS2450 (727.2) o EQ384
o TS2451 (860.4) o EQ547
o TS2452 (852.3) o EQ547
o TS2453 (838.0) o EQ613
o TS2454 (807.4) o EQ613
o TS2455 (860.1) o EQ640
o TS2456 (822.7) o DDC138
[ EQ215 ] C1 ENERGY= 622.8 kJ/mol ( -1458.874333 Hartree)
Energy+ZPE= 621.7 kJ/mol ZPE= 0.0178506
CONNECTIONS:
o TS308 (660.5) o EQ1
o TS565 (658.2) o EQ5
o TS597 (830.5) o EQ6
o TS1469 (674.4) o EQ53
o TS2365 (647.7) o EQ207
o TS2391 (662.2) o EQ208
o TS2426 (861.2) o EQ209
o TS2457 (830.7) o EQ215
o TS2458 (695.1) o EQ215
o TS2459 (905.0) o EQ221
o TS2460 (628.1) o EQ221
o TS2461 (666.2) o EQ247
o TS2462 (730.8) o EQ342
o TS2463 (755.3) o EQ348
o TS2464 (729.6) o EQ359
o TS2465 (701.3) o EQ371
o TS2466 (751.6) o EQ377
o TS2467 (743.7) o EQ404
o TS2468 (729.6) o EQ424
o TS2469 (729.8) o EQ428
o TS2470 (814.2) o EQ437
o TS2471 (834.3) o EQ470
o TS2472 (879.6) o EQ493
o TS2473 (795.1) o EQ538
o TS2474 (783.9) o EQ559
o TS2475 (897.8) o EQ569
o TS2476 (824.2) o EQ577
o TS2477 (822.6) o EQ590
o TS2478 (851.1) o EQ595
o TS2479 (843.9) o EQ595
o TS2480 (853.9) o EQ598
o TS2481 (813.2) o EQ626
o TS2482 (873.6) o EQ640
o TS2483 (1280.0) o EQ903
[ EQ216 ] C1 ENERGY= 624.5 kJ/mol ( -1458.873701 Hartree)
Energy+ZPE= 623.2 kJ/mol ZPE= 0.0177505
CONNECTIONS:
o TS566 (634.6) o EQ5
o TS2484 (686.3) o EQ217
o TS2485 (711.3) o EQ263
o TS2486 (697.8) o EQ325
o TS2487 (706.8) o EQ342
o TS2488 (647.8) o DDC139
o TS2489 (630.3) o DDC140
[ EQ217 ] C1 ENERGY= 624.6 kJ/mol ( -1458.873635 Hartree)
Energy+ZPE= 623.2 kJ/mol ZPE= 0.0177257
CONNECTIONS:
o TS100 (749.5) o EQ0
o TS567 (634.8) o EQ5
o TS753 (725.5) o EQ12
o TS967 (728.0) o EQ23
o TS2484 (686.3) o EQ216
o TS2490 (686.4) o EQ218
o TS2491 (711.4) o EQ263
o TS2492 (724.3) o EQ275
o TS2493 (706.7) o EQ342
o TS2494 (744.6) o EQ356
o TS2495 (740.5) o EQ376
o TS2496 (737.4) o EQ380
o TS2497 (630.5) o DDC141
[ EQ218 ] C1 ENERGY= 624.9 kJ/mol ( -1458.873552 Hartree)
Energy+ZPE= 623.4 kJ/mol ZPE= 0.0176851
CONNECTIONS:
o TS2490 (686.4) o EQ217
o TS2498 (698.0) o EQ325
[ EQ219 ] C1 ENERGY= 625.7 kJ/mol ( -1458.873215 Hartree)
Energy+ZPE= 624.8 kJ/mol ZPE= 0.0179026
CONNECTIONS:
o TS101 (713.8) o EQ0
o TS102 (677.0) o EQ0
o TS103 (676.5) o EQ0
o TS104 (676.2) o EQ0
o TS105 (670.5) o EQ0
o TS309 (732.8) o EQ1
o TS419 (717.4) o EQ2
o TS946 (676.3) o EQ22
o TS947 (671.0) o EQ22
o TS968 (673.4) o EQ23
o TS969 (669.0) o EQ23
o TS2103 (846.9) o EQ153
o TS2270 (734.2) o EQ199
o TS2271 (664.5) o EQ199
o TS2297 (759.1) o EQ200
o TS2298 (669.1) o EQ200
o TS2299 (634.7) o EQ200
o TS2435 (639.2) o EQ210
o TS2499 (715.6) o EQ219
o TS2500 (696.5) o EQ229
o TS2501 (670.1) o EQ231
o TS2502 (653.7) o EQ231
o TS2503 (672.7) o EQ234
o TS2504 (636.5) o EQ234
o TS2505 (685.9) o EQ266
o TS2506 (833.0) o EQ275
o TS2507 (801.8) o EQ277
o TS2508 (673.3) o EQ311
o TS2509 (820.4) o EQ312
o TS2510 (673.0) o EQ320
o TS2511 (678.5) o EQ332
o TS2512 (741.6) o EQ368
o TS2513 (784.8) o EQ370
o TS2514 (704.3) o EQ376
o TS2515 (708.8) o EQ390
o TS2516 (716.0) o EQ405
o TS2517 (790.4) o EQ497
o TS2518 (819.2) o EQ611
o TS2519 (866.4) o EQ767
o TS2520 (881.4) o EQ792
o TS2521 (847.9) o DDC142
o TS2522 (642.4) o DDC143
[ EQ220 ] C1 ENERGY= 626.7 kJ/mol ( -1458.872870 Hartree)
Energy+ZPE= 624.7 kJ/mol ZPE= 0.0174961
CONNECTIONS:
o TS106 (845.6) o EQ0
o TS107 (673.0) o EQ0
o TS2392 (732.0) o EQ208
o TS2393 (690.2) o EQ208
o TS2523 (824.0) o EQ534
o TS2524 (826.7) o EQ613
o TS2525 (833.4) o EQ631
[ EQ221 ] C1 ENERGY= 626.8 kJ/mol ( -1458.872812 Hartree)
Energy+ZPE= 624.7 kJ/mol ZPE= 0.0174613
CONNECTIONS:
o TS2264 (629.5) o EQ198
o TS2394 (690.0) o EQ208
o TS2459 (905.0) o EQ215
o TS2460 (628.1) o EQ215
o TS2526 (753.6) o EQ256
o TS2527 (720.1) o EQ264
o TS2528 (679.4) o EQ294
o TS2529 (671.2) o EQ315
o TS2530 (848.9) o EQ729
o TS2531 (666.4) o DDC144
[ EQ222 ] C1 ENERGY= 628.4 kJ/mol ( -1458.872188 Hartree)
Energy+ZPE= 627.9 kJ/mol ZPE= 0.0180514
CONNECTIONS:
o TS2272 (671.6) o EQ199
o TS2300 (690.2) o EQ200
o TS2532 (638.1) o EQ223
o TS2533 (638.6) o EQ238
o TS2534 (687.7) o EQ289
o TS2535 (843.5) o EQ374
o TS2536 (793.7) o EQ386
[ EQ223 ] C1 ENERGY= 628.6 kJ/mol ( -1458.872132 Hartree)
Energy+ZPE= 627.3 kJ/mol ZPE= 0.0177513
CONNECTIONS:
o TS970 (641.3) o EQ23
o TS1575 (641.1) o EQ64
o TS1576 (641.0) o EQ64
o TS2532 (638.1) o EQ222
o TS2537 (642.7) o EQ259
o TS2538 (680.3) o EQ313
o TS2539 (672.3) o EQ322
[ EQ224 ] C1 ENERGY= 628.7 kJ/mol ( -1458.872104 Hartree)
Energy+ZPE= 628.1 kJ/mol ZPE= 0.0180139
CONNECTIONS:
o TS108 (664.7) o EQ0
o TS310 (700.8) o EQ1
o TS1188 (790.9) o EQ34
o TS1189 (788.7) o EQ34
o TS2233 (689.3) o EQ195
o TS2273 (671.8) o EQ199
o TS2301 (741.5) o EQ200
o TS2302 (690.4) o EQ200
o TS2540 (746.8) o EQ224
o TS2541 (638.3) o EQ225
o TS2542 (638.8) o EQ240
o TS2543 (660.8) o EQ246
o TS2544 (774.1) o EQ248
o TS2545 (660.6) o EQ248
o TS2546 (660.5) o EQ248
o TS2547 (746.3) o EQ251
o TS2548 (751.6) o EQ263
o TS2549 (740.8) o EQ263
o TS2550 (671.3) o EQ291
o TS2551 (671.1) o EQ291
o TS2552 (680.4) o EQ298
o TS2553 (711.9) o EQ348
o TS2554 (703.9) o EQ372
o TS2555 (769.5) o EQ378
o TS2556 (812.2) o EQ387
o TS2557 (793.5) o EQ387
o TS2558 (760.8) o EQ473
o TS2559 (792.2) o EQ516
o TS2560 (791.8) o EQ541
o TS2561 (795.5) o EQ589
o TS2562 (834.1) o EQ685
[ EQ225 ] C1 ENERGY= 628.8 kJ/mol ( -1458.872061 Hartree)
Energy+ZPE= 627.3 kJ/mol ZPE= 0.0176987
CONNECTIONS:
o TS1577 (641.3) o EQ64
o TS2234 (630.6) o EQ195
o TS2541 (638.3) o EQ224
o TS2563 (642.9) o EQ259
o TS2564 (672.1) o EQ319
[ EQ226 ] C1 ENERGY= 629.6 kJ/mol ( -1458.871734 Hartree)
Energy+ZPE= 626.8 kJ/mol ZPE= 0.0171878
CONNECTIONS:
o TS420 (754.9) o EQ2
o TS568 (636.7) o EQ5
o TS598 (905.5) o EQ6
o TS948 (645.2) o EQ22
o TS971 (645.0) o EQ23
o TS1217 (641.7) o EQ36
o TS2348 (649.0) o EQ204
o TS2565 (707.6) o EQ226
o TS2566 (646.1) o EQ226
o TS2567 (662.8) o EQ261
o TS2568 (652.6) o EQ261
o TS2569 (671.2) o EQ263
o TS2570 (657.2) o EQ263
o TS2571 (657.6) o EQ266
o TS2572 (679.0) o EQ272
o TS2573 (682.0) o DDC145
[ EQ227 ] C1 ENERGY= 629.7 kJ/mol ( -1458.871707 Hartree)
Energy+ZPE= 628.0 kJ/mol ZPE= 0.0175925
CONNECTIONS:
o TS109 (708.8) o EQ0
o TS635 (634.2) o EQ7
o TS636 (630.4) o EQ7
o TS637 (630.3) o EQ7
o TS1000 (704.7) o EQ25
o TS2349 (680.4) o EQ204
o TS2574 (838.3) o EQ227
o TS2575 (637.2) o EQ227
o TS2576 (678.2) o EQ230
o TS2577 (665.0) o EQ230
o TS2578 (735.8) o EQ336
o TS2579 (779.2) o EQ495
[ EQ228 ] C1 ENERGY= 629.9 kJ/mol ( -1458.871640 Hartree)
Energy+ZPE= 628.1 kJ/mol ZPE= 0.0175652
CONNECTIONS:
o TS2580 (988.1) o EQ286
[ EQ229 ] C1 ENERGY= 632.3 kJ/mol ( -1458.870713 Hartree)
Energy+ZPE= 631.1 kJ/mol ZPE= 0.0177831
CONNECTIONS:
o TS110 (741.4) o EQ0
o TS111 (734.1) o EQ0
o TS1113 (701.9) o EQ31
o TS1850 (672.3) o EQ106
o TS1851 (672.1) o EQ106
o TS1852 (667.2) o EQ106
o TS1853 (667.0) o EQ106
o TS2212 (698.1) o EQ192
o TS2395 (848.7) o EQ208
o TS2500 (696.5) o EQ219
o TS2581 (778.6) o EQ229
o TS2582 (770.6) o EQ229
o TS2583 (720.9) o EQ247
o TS2584 (691.0) o EQ254
o TS2585 (817.3) o EQ256
o TS2586 (655.8) o EQ263
o TS2587 (681.1) o EQ266
o TS2588 (679.5) o EQ267
o TS2589 (679.1) o EQ267
o TS2590 (687.3) o EQ270
o TS2591 (714.1) o EQ306
o TS2592 (707.2) o EQ311
o TS2593 (728.6) o EQ330
o TS2594 (717.0) o EQ380
o TS2595 (716.4) o EQ396
o TS2596 (715.1) o EQ407
o TS2597 (767.2) o EQ411
o TS2598 (827.8) o EQ434
o TS2599 (748.0) o EQ437
o TS2600 (762.9) o EQ470
o TS2601 (785.3) o EQ473
o TS2602 (781.0) o EQ473
o TS2603 (777.6) o EQ473
o TS2604 (833.1) o EQ653
o TS2605 (886.5) o EQ735
o TS2606 (848.3) o DDC146
o TS2607 (762.9) o DDC147
[ EQ230 ] C1 ENERGY= 633.5 kJ/mol ( -1458.870261 Hartree)
Energy+ZPE= 633.2 kJ/mol ZPE= 0.0181514
CONNECTIONS:
o TS112 (656.1) o EQ0
o TS113 (647.9) o EQ0
o TS311 (673.1) o EQ1
o TS1517 (789.8) o EQ57
o TS2176 (654.1) o EQ186
o TS2366 (660.7) o EQ207
o TS2576 (678.2) o EQ227
o TS2577 (665.0) o EQ227
o TS2608 (737.3) o EQ278
o TS2609 (711.6) o EQ301
o TS2610 (677.1) o EQ307
o TS2611 (673.2) o EQ327
o TS2612 (682.1) o EQ335
o TS2613 (699.2) o EQ348
o TS2614 (805.8) o EQ508
o TS2615 (801.8) o EQ508
o TS2616 (803.1) o EQ601
o TS2617 (796.1) o DDC148
[ EQ231 ] C1 ENERGY= 633.6 kJ/mol ( -1458.870210 Hartree)
Energy+ZPE= 632.9 kJ/mol ZPE= 0.0179801
CONNECTIONS:
o TS312 (757.5) o EQ1
o TS313 (757.4) o EQ1
o TS1070 (668.8) o EQ30
o TS2303 (714.6) o EQ200
o TS2316 (633.9) o EQ201
o TS2501 (670.1) o EQ219
o TS2502 (653.7) o EQ219
o TS2618 (670.8) o EQ232
o TS2619 (952.7) o EQ234
o TS2620 (765.9) o EQ235
[ EQ232 ] C1 ENERGY= 634.7 kJ/mol ( -1458.869808 Hartree)
Energy+ZPE= 632.6 kJ/mol ZPE= 0.0174490
CONNECTIONS:
o TS114 (670.5) o EQ0
o TS115 (670.4) o EQ0
o TS599 (668.6) o EQ6
o TS600 (644.0) o EQ6
o TS1879 (751.7) o EQ113
o TS2304 (676.2) o EQ200
o TS2350 (725.5) o EQ204
o TS2351 (670.5) o EQ204
o TS2618 (670.8) o EQ231
o TS2621 (658.5) o EQ234
o TS2622 (727.8) o EQ289
o TS2623 (671.0) o EQ313
o TS2624 (678.3) o EQ333
o TS2625 (765.7) o EQ512
o TS2626 (885.3) o EQ722
o TS2627 (772.1) o DDC149
o TS2628 (648.7) o DDC150
[ EQ233 ] C1 ENERGY= 634.7 kJ/mol ( -1458.869807 Hartree)
Energy+ZPE= 632.3 kJ/mol ZPE= 0.0173366
CONNECTIONS:
o TS116 (636.7) o EQ0
[ EQ234 ] C1 ENERGY= 634.8 kJ/mol ( -1458.869753 Hartree)
Energy+ZPE= 634.1 kJ/mol ZPE= 0.0179774
CONNECTIONS:
o TS117 (670.8) o EQ0
o TS1071 (666.3) o EQ30
o TS2235 (950.4) o EQ195
o TS2305 (652.6) o EQ200
o TS2503 (672.7) o EQ219
o TS2504 (636.5) o EQ219
o TS2619 (952.7) o EQ231
o TS2621 (658.5) o EQ232
o TS2629 (764.6) o EQ234
o TS2630 (734.5) o EQ354
o TS2631 (949.2) o EQ378
o TS2632 (764.9) o EQ378
o TS2633 (714.3) o EQ405
o TS2634 (884.5) o EQ539
o TS2635 (855.4) o EQ556
[ EQ235 ] C1 ENERGY= 634.9 kJ/mol ( -1458.869738 Hartree)
Energy+ZPE= 632.6 kJ/mol ZPE= 0.0173988
CONNECTIONS:
o TS2352 (754.2) o EQ204
o TS2620 (765.9) o EQ231
o TS2636 (924.0) o EQ593
[ EQ236 ] C1 ENERGY= 634.9 kJ/mol ( -1458.869732 Hartree)
Energy+ZPE= 632.4 kJ/mol ZPE= 0.0173188
CONNECTIONS:
o TS118 (637.0) o EQ0
o TS421 (727.6) o EQ2
o TS638 (641.7) o EQ7
o TS639 (641.6) o EQ7
o TS2637 (701.8) o EQ252
o TS2638 (707.1) o EQ342
o TS2639 (781.2) o EQ464
[ EQ237 ] C1 ENERGY= 635.0 kJ/mol ( -1458.869673 Hartree)
Energy+ZPE= 632.4 kJ/mol ZPE= 0.0172850
CONNECTIONS:
o TS119 (637.2) o EQ0
[ EQ238 ] Cs ENERGY= 635.1 kJ/mol ( -1458.869657 Hartree)
Energy+ZPE= 634.0 kJ/mol ZPE= 0.0178393
CONNECTIONS:
o TS2353 (680.8) o EQ204
o TS2533 (638.6) o EQ222
o TS2640 (648.0) o DDC151
[ EQ239 ] C2v ENERGY= 635.1 kJ/mol ( -1458.869647 Hartree)
Energy+ZPE= 638.2 kJ/mol ZPE= 0.0194376
CONNECTIONS:
o TS1484 (713.9) o EQ54
o TS1485 (713.8) o EQ54
o TS2641 (778.4) o EQ239
o TS2642 (740.7) o EQ239
o TS2643 (954.1) o EQ312
o TS2644 (702.4) o EQ347
o TS2645 (732.0) o EQ349
o TS2646 (731.8) o EQ350
o TS2647 (703.9) o EQ363
o TS2648 (705.6) o EQ375
o TS2649 (915.6) o EQ669
o TS2650 (938.0) o EQ841
o TS2651 (1144.9) o EQ882
[ EQ240 ] C1 ENERGY= 635.2 kJ/mol ( -1458.869610 Hartree)
Energy+ZPE= 634.1 kJ/mol ZPE= 0.0178257
CONNECTIONS:
o TS2249 (766.9) o EQ197
o TS2354 (680.7) o EQ204
o TS2542 (638.8) o EQ224
o TS2652 (772.1) o EQ395
o TS2653 (693.1) o DDC152
[ EQ241 ] C1 ENERGY= 637.0 kJ/mol ( -1458.868946 Hartree)
Energy+ZPE= 633.7 kJ/mol ZPE= 0.0170051
CONNECTIONS:
o TS120 (690.8) o EQ0
o TS2654 (708.1) o EQ311
o TS2655 (771.3) o EQ380
[ EQ242 ] C1 ENERGY= 637.1 kJ/mol ( -1458.868906 Hartree)
Energy+ZPE= 635.1 kJ/mol ZPE= 0.0175064
CONNECTIONS:
o TS121 (659.8) o EQ0
o TS754 (643.1) o EQ12
o TS949 (939.7) o EQ22
o TS2436 (639.5) o EQ210
o TS2656 (663.3) o EQ253
o TS2657 (663.1) o EQ253
o TS2658 (832.9) o EQ275
o TS2659 (669.1) o EQ288
o TS2660 (668.9) o EQ288
o TS2661 (701.2) o EQ368
o TS2662 (792.4) o EQ538
o TS2663 (797.5) o EQ567
o TS2664 (979.1) o EQ860
[ EQ243 ] C1 ENERGY= 637.1 kJ/mol ( -1458.868898 Hartree)
Energy+ZPE= 633.8 kJ/mol ZPE= 0.0169858
CONNECTIONS:
o TS122 (739.0) o EQ0
o TS123 (670.7) o EQ0
o TS124 (670.5) o EQ0
o TS125 (639.6) o EQ0
o TS126 (639.5) o EQ0
o TS2236 (743.7) o EQ195
o TS2665 (673.8) o EQ261
o TS2666 (658.9) o EQ264
o TS2667 (658.8) o EQ264
o TS2668 (659.5) o EQ272
o TS2669 (659.3) o EQ272
o TS2670 (662.5) o EQ279
o TS2671 (662.4) o EQ279
o TS2672 (838.3) o EQ288
[ EQ244 ] C1 ENERGY= 637.1 kJ/mol ( -1458.868877 Hartree)
Energy+ZPE= 634.1 kJ/mol ZPE= 0.0171100
CONNECTIONS:
o TS422 (693.1) o EQ2
o TS640 (638.2) o EQ7
o TS755 (637.3) o EQ12
o TS1713 (684.9) o EQ88
o TS2319 (706.3) o EQ202
o TS2331 (710.6) o EQ203
o TS2673 (678.2) o EQ331
[ EQ245 ] C1 ENERGY= 637.3 kJ/mol ( -1458.868799 Hartree)
Energy+ZPE= 634.2 kJ/mol ZPE= 0.0170591
CONNECTIONS:
o TS127 (719.7) o EQ0
o TS423 (759.2) o EQ2
o TS641 (638.3) o EQ7
o TS756 (637.4) o EQ12
o TS1218 (702.0) o EQ36
o TS2396 (672.9) o EQ208
o TS2674 (664.7) o EQ274
o TS2675 (819.5) o EQ580
o TS2676 (819.4) o EQ580
[ EQ246 ] C2 ENERGY= 637.8 kJ/mol ( -1458.868639 Hartree)
Energy+ZPE= 638.5 kJ/mol ZPE= 0.0185378
CONNECTIONS:
o TS1156 (728.5) o EQ33
o TS2543 (660.8) o EQ224
o TS2677 (847.6) o EQ551
o TS2678 (839.0) o EQ607
o TS2679 (814.8) o EQ614
[ EQ247 ] C1 ENERGY= 637.9 kJ/mol ( -1458.868602 Hartree)
Energy+ZPE= 636.3 kJ/mol ZPE= 0.0176631
CONNECTIONS:
o TS314 (680.0) o EQ1
o TS569 (647.6) o EQ5
o TS570 (647.4) o EQ5
o TS2367 (648.8) o EQ207
o TS2461 (666.2) o EQ215
o TS2583 (720.9) o EQ229
o TS2680 (745.1) o EQ351
o TS2681 (744.9) o EQ351
o TS2682 (740.2) o EQ359
o TS2683 (714.1) o EQ404
o TS2684 (816.4) o EQ522
o TS2685 (786.5) o EQ572
o TS2686 (827.2) o EQ584
o TS2687 (824.0) o EQ600
o TS2688 (851.5) o EQ607
o TS2689 (860.3) o EQ617
o TS2690 (850.8) o EQ617
o TS2691 (883.2) o EQ681
o TS2692 (871.8) o EQ681
o TS2693 (864.1) o EQ764
o TS2694 (646.2) o DDC153
[ EQ248 ] C1 ENERGY= 637.9 kJ/mol ( -1458.868593 Hartree)
Energy+ZPE= 638.6 kJ/mol ZPE= 0.0185246
CONNECTIONS:
o TS1157 (728.8) o EQ33
o TS1315 (752.5) o EQ39
o TS2306 (776.2) o EQ200
o TS2544 (774.1) o EQ224
o TS2545 (660.6) o EQ224
o TS2546 (660.5) o EQ224
o TS2695 (656.3) o EQ259
o TS2696 (711.1) o EQ391
o TS2697 (792.9) o EQ402
o TS2698 (792.8) o EQ402
o TS2699 (875.5) o EQ441
o TS2700 (836.4) o EQ447
o TS2701 (869.2) o EQ463
o TS2702 (802.4) o EQ519
o TS2703 (807.2) o EQ619
[ EQ249 ] C1 ENERGY= 639.5 kJ/mol ( -1458.867992 Hartree)
Energy+ZPE= 635.9 kJ/mol ZPE= 0.0168820
CONNECTIONS:
o TS1367 (650.5) o EQ41
o TS2704 (927.1) o EQ350
o TS2705 (752.6) o EQ396
[ EQ250 ] C1 ENERGY= 639.6 kJ/mol ( -1458.867948 Hartree)
Energy+ZPE= 640.5 kJ/mol ZPE= 0.0185803
CONNECTIONS:
o TS424 (715.9) o EQ2
o TS2706 (651.6) o EQ257
o TS2707 (710.9) o EQ287
o TS2708 (708.1) o EQ393
[ EQ251 ] C1 ENERGY= 639.6 kJ/mol ( -1458.867938 Hartree)
Energy+ZPE= 635.9 kJ/mol ZPE= 0.0168575
CONNECTIONS:
o TS1368 (650.6) o EQ41
o TS2177 (647.9) o EQ186
o TS2178 (647.8) o EQ186
o TS2397 (715.9) o EQ208
o TS2547 (746.3) o EQ224
o TS2709 (661.3) o EQ261
o TS2710 (656.9) o EQ263
o TS2711 (665.2) o EQ272
o TS2712 (660.9) o EQ279
o TS2713 (812.5) o EQ390
o TS2714 (726.3) o EQ411
o TS2715 (846.8) o EQ452
o TS2716 (812.2) o EQ592
o TS2717 (812.0) o EQ594
[ EQ252 ] C1 ENERGY= 639.7 kJ/mol ( -1458.867896 Hartree)
Energy+ZPE= 640.5 kJ/mol ZPE= 0.0185483
CONNECTIONS:
o TS128 (709.1) o EQ0
o TS129 (695.0) o EQ0
o TS130 (648.7) o EQ0
o TS315 (719.1) o EQ1
o TS316 (715.6) o EQ1
o TS601 (803.1) o EQ6
o TS757 (714.2) o EQ12
o TS1039 (711.1) o EQ29
o TS2332 (657.8) o EQ203
o TS2637 (701.8) o EQ236
o TS2718 (651.7) o EQ257
o TS2719 (688.3) o EQ287
o TS2720 (685.9) o EQ300
o TS2721 (763.7) o EQ500
[ EQ253 ] C1 ENERGY= 640.1 kJ/mol ( -1458.867750 Hartree)
Energy+ZPE= 639.3 kJ/mol ZPE= 0.0179542
CONNECTIONS:
o TS602 (714.9) o EQ6
o TS603 (714.8) o EQ6
o TS1714 (648.4) o EQ88
o TS1715 (648.2) o EQ88
o TS2656 (663.3) o EQ242
o TS2657 (663.1) o EQ242
o TS2722 (640.3) o EQ253
o TS2723 (928.2) o EQ329
o TS2724 (695.0) o EQ339
o TS2725 (694.8) o EQ339
o TS2726 (748.1) o EQ467
[ EQ254 ] C1 ENERGY= 640.3 kJ/mol ( -1458.867665 Hartree)
Energy+ZPE= 637.8 kJ/mol ZPE= 0.0173009
CONNECTIONS:
o TS131 (741.7) o EQ0
o TS132 (739.3) o EQ0
o TS133 (665.1) o EQ0
o TS134 (662.7) o EQ0
o TS642 (689.6) o EQ7
o TS2213 (645.5) o EQ192
o TS2214 (645.3) o EQ192
o TS2227 (768.0) o EQ193
o TS2398 (689.0) o EQ208
o TS2399 (688.7) o EQ208
o TS2584 (691.0) o EQ229
o TS2727 (652.0) o EQ270
o TS2728 (651.9) o EQ270
o TS2729 (660.7) o EQ290
o TS2730 (685.9) o EQ305
o TS2731 (678.5) o EQ323
o TS2732 (684.1) o EQ331
o TS2733 (834.7) o EQ491
o TS2734 (805.2) o EQ506
o TS2735 (775.0) o EQ531
o TS2736 (854.8) o EQ534
o TS2737 (827.3) o EQ653
o TS2738 (878.8) o EQ724
o TS2739 (854.1) o EQ735
o TS2740 (994.0) o EQ834
o TS2741 (726.2) o DDC154
[ EQ255 ] C1 ENERGY= 640.5 kJ/mol ( -1458.867604 Hartree)
Energy+ZPE= 637.9 kJ/mol ZPE= 0.0172556
CONNECTIONS:
o TS135 (662.9) o EQ0
o TS2742 (824.3) o EQ294
o TS2743 (678.7) o EQ324
o TS2744 (825.9) o EQ434
o TS2745 (782.7) o EQ473
o TS2746 (837.9) o EQ515
o TS2747 (774.9) o EQ531
[ EQ256 ] C1 ENERGY= 641.3 kJ/mol ( -1458.867295 Hartree)
Energy+ZPE= 638.4 kJ/mol ZPE= 0.0171398
CONNECTIONS:
o TS136 (755.2) o EQ0
o TS137 (714.5) o EQ0
o TS138 (711.3) o EQ0
o TS139 (707.0) o EQ0
o TS425 (675.1) o EQ2
o TS758 (699.8) o EQ12
o TS759 (673.6) o EQ12
o TS2179 (687.1) o EQ186
o TS2400 (824.2) o EQ208
o TS2401 (675.6) o EQ208
o TS2438 (692.7) o EQ211
o TS2446 (843.6) o EQ214
o TS2526 (753.6) o EQ221
o TS2585 (817.3) o EQ229
o TS2748 (769.3) o EQ256
o TS2749 (706.1) o EQ256
o TS2750 (779.4) o EQ275
o TS2751 (767.4) o EQ294
o TS2752 (670.6) o EQ297
o TS2753 (670.5) o EQ297
o TS2754 (702.5) o EQ364
o TS2755 (712.3) o EQ401
o TS2756 (756.1) o EQ406
o TS2757 (717.4) o EQ408
o TS2758 (767.4) o EQ416
o TS2759 (751.9) o EQ416
o TS2760 (914.6) o EQ437
o TS2761 (899.9) o EQ452
o TS2762 (823.6) o EQ478
o TS2763 (863.0) o EQ493
o TS2764 (831.3) o EQ493
o TS2765 (864.3) o EQ510
o TS2766 (856.0) o EQ569
o TS2767 (807.6) o EQ626
o TS2768 (855.0) o EQ661
o TS2769 (859.2) o EQ743
o TS2770 (906.5) o EQ768
o TS2771 (893.2) o EQ788
o TS2772 (968.8) o EQ854
o TS2773 (881.8) o DDC155
o TS2774 (834.0) o DDC156
o TS2775 (665.0) o DDC157
o TS2776 (664.8) o DDC158
[ EQ257 ] C1 ENERGY= 641.6 kJ/mol ( -1458.867195 Hartree)
Energy+ZPE= 641.3 kJ/mol ZPE= 0.0181300
CONNECTIONS:
o TS760 (669.0) o EQ12
o TS864 (662.7) o EQ13
o TS2199 (643.8) o EQ190
o TS2215 (702.1) o EQ192
o TS2228 (701.8) o EQ193
o TS2706 (651.6) o EQ250
o TS2718 (651.7) o EQ252
o TS2777 (692.4) o EQ257
o TS2778 (679.6) o EQ274
o TS2779 (691.8) o EQ283
o TS2780 (701.4) o EQ317
o TS2781 (673.2) o EQ325
[ EQ258 ] C1 ENERGY= 641.7 kJ/mol ( -1458.867148 Hartree)
Energy+ZPE= 641.3 kJ/mol ZPE= 0.0181018
CONNECTIONS:
o TS140 (667.7) o EQ0
[ EQ259 ] C2 ENERGY= 641.9 kJ/mol ( -1458.867060 Hartree)
Energy+ZPE= 641.4 kJ/mol ZPE= 0.0180665
CONNECTIONS:
o TS1316 (670.5) o EQ39
o TS2537 (642.7) o EQ223
o TS2563 (642.9) o EQ225
o TS2695 (656.3) o EQ248
o TS2782 (785.8) o EQ402
o TS2783 (797.7) o EQ587
[ EQ260 ] C1 ENERGY= 642.2 kJ/mol ( -1458.866957 Hartree)
Energy+ZPE= 637.8 kJ/mol ZPE= 0.0165752
CONNECTIONS:
[ EQ261 ] C1 ENERGY= 642.3 kJ/mol ( -1458.866907 Hartree)
Energy+ZPE= 637.8 kJ/mol ZPE= 0.0165543
CONNECTIONS:
o TS141 (652.4) o EQ0
o TS2180 (642.5) o EQ186
o TS2567 (662.8) o EQ226
o TS2568 (652.6) o EQ226
o TS2665 (673.8) o EQ243
o TS2709 (661.3) o EQ251
o TS2784 (656.7) o EQ261
o TS2785 (716.5) o EQ292
o TS2786 (705.7) o EQ335
o TS2787 (657.3) o DDC159
[ EQ262 ] Cs ENERGY= 642.8 kJ/mol ( -1458.866735 Hartree)
Energy+ZPE= 644.0 kJ/mol ZPE= 0.0187284
CONNECTIONS:
o TS868 (660.7) o EQ14
o TS1158 (728.9) o EQ33
o TS1159 (672.3) o EQ33
o TS2788 (688.1) o EQ315
o TS2789 (743.1) o EQ379
o TS2790 (905.2) o EQ602
o TS2791 (873.9) o EQ643
o TS2792 (874.0) o EQ724
[ EQ263 ] C1 ENERGY= 643.6 kJ/mol ( -1458.866415 Hartree)
Energy+ZPE= 641.1 kJ/mol ZPE= 0.0172924
CONNECTIONS:
o TS142 (750.4) o EQ0
o TS1001 (721.1) o EQ25
o TS1273 (760.2) o EQ37
o TS1274 (749.5) o EQ37
o TS1275 (687.6) o EQ37
o TS2216 (749.1) o EQ192
o TS2485 (711.3) o EQ216
o TS2491 (711.4) o EQ217
o TS2548 (751.6) o EQ224
o TS2549 (740.8) o EQ224
o TS2569 (671.2) o EQ226
o TS2570 (657.2) o EQ226
o TS2586 (655.8) o EQ229
o TS2710 (656.9) o EQ251
o TS2793 (671.9) o EQ272
o TS2794 (701.8) o EQ372
o TS2795 (701.7) o EQ372
o TS2796 (854.3) o EQ475
o TS2797 (777.7) o EQ541
o TS2798 (834.4) o EQ607
[ EQ264 ] C1 ENERGY= 646.9 kJ/mol ( -1458.865176 Hartree)
Energy+ZPE= 642.5 kJ/mol ZPE= 0.0165911
CONNECTIONS:
o TS143 (711.3) o EQ0
o TS144 (653.1) o EQ0
o TS145 (648.9) o EQ0
o TS2527 (720.1) o EQ221
o TS2666 (658.9) o EQ243
o TS2667 (658.8) o EQ243
o TS2799 (652.1) o EQ272
o TS2800 (652.0) o EQ272
o TS2801 (728.4) o EQ286
o TS2802 (727.2) o EQ318
[ EQ265 ] C1 ENERGY= 648.1 kJ/mol ( -1458.864696 Hartree)
Energy+ZPE= 649.0 kJ/mol ZPE= 0.0185903
CONNECTIONS:
o TS426 (706.1) o EQ2
o TS427 (672.6) o EQ2
o TS2803 (648.2) o EQ265
o TS2804 (665.7) o EQ308
o TS2805 (863.9) o EQ312
o TS2806 (681.0) o EQ338
o TS2807 (687.0) o EQ340
o TS2808 (867.8) o EQ374
o TS2809 (932.1) o EQ696
o TS2810 (871.8) o EQ765
o TS2811 (873.6) o EQ772
o TS2812 (876.0) o EQ780
[ EQ266 ] C1 ENERGY= 648.3 kJ/mol ( -1458.864636 Hartree)
Energy+ZPE= 645.4 kJ/mol ZPE= 0.0171569
CONNECTIONS:
o TS882 (673.9) o EQ15
o TS2368 (746.1) o EQ207
o TS2505 (685.9) o EQ219
o TS2571 (657.6) o EQ226
o TS2587 (681.1) o EQ229
o TS2813 (747.6) o EQ278
o TS2814 (697.5) o EQ339
o TS2815 (726.7) o EQ420
o TS2816 (762.0) o EQ470
o TS2817 (783.9) o EQ504
o TS2818 (772.1) o EQ533
o TS2819 (757.9) o DDC160
o TS2820 (649.2) o DDC161
[ EQ267 ] C1 ENERGY= 648.4 kJ/mol ( -1458.864587 Hartree)
Energy+ZPE= 645.4 kJ/mol ZPE= 0.0171226
CONNECTIONS:
o TS2588 (679.5) o EQ229
o TS2589 (679.1) o EQ229
o TS2821 (694.2) o EQ311
o TS2822 (713.0) o EQ390
o TS2823 (746.4) o EQ437
o TS2824 (775.0) o EQ452
o TS2825 (778.7) o EQ497
o TS2826 (834.9) o EQ701
o TS2827 (822.4) o DDC162
o TS2828 (757.7) o DDC163
[ EQ268 ] C1 ENERGY= 649.0 kJ/mol ( -1458.864375 Hartree)
Energy+ZPE= 650.8 kJ/mol ZPE= 0.0189352
CONNECTIONS:
o TS146 (682.6) o EQ0
o TS1382 (818.9) o EQ43
o TS2333 (700.1) o EQ203
o TS2829 (697.9) o EQ268
o TS2830 (651.5) o EQ271
o TS2831 (715.6) o EQ274
o TS2832 (728.0) o EQ299
o TS2833 (701.6) o EQ326
o TS2834 (698.9) o EQ326
o TS2835 (715.5) o EQ345
o TS2836 (715.6) o EQ346
o TS2837 (867.7) o EQ775
o TS2838 (1253.3) o EQ903
[ EQ269 ] C1 ENERGY= 649.5 kJ/mol ( -1458.864152 Hartree)
Energy+ZPE= 648.4 kJ/mol ZPE= 0.0178296
CONNECTIONS:
[ EQ270 ] C1 ENERGY= 649.7 kJ/mol ( -1458.864099 Hartree)
Energy+ZPE= 648.5 kJ/mol ZPE= 0.0178017
CONNECTIONS:
o TS147 (663.1) o EQ0
o TS883 (663.6) o EQ15
o TS1866 (792.1) o EQ112
o TS2217 (759.7) o EQ192
o TS2274 (959.2) o EQ199
o TS2275 (750.1) o EQ199
o TS2590 (687.3) o EQ229
o TS2727 (652.0) o EQ254
o TS2728 (651.9) o EQ254
o TS2839 (809.5) o EQ564
[ EQ271 ] C1 ENERGY= 650.9 kJ/mol ( -1458.863654 Hartree)
Energy+ZPE= 652.0 kJ/mol ZPE= 0.0186750
CONNECTIONS:
o TS1578 (659.5) o EQ65
o TS2320 (677.2) o EQ202
o TS2334 (677.0) o EQ203
o TS2830 (651.5) o EQ268
o TS2840 (661.7) o EQ271
o TS2841 (658.0) o EQ287
o TS2842 (944.8) o EQ328
o TS2843 (680.2) o EQ328
[ EQ272 ] C1 ENERGY= 651.2 kJ/mol ( -1458.863522 Hartree)
Energy+ZPE= 646.0 kJ/mol ZPE= 0.0162682
CONNECTIONS:
o TS148 (654.6) o EQ0
o TS2181 (652.5) o EQ186
o TS2572 (679.0) o EQ226
o TS2668 (659.5) o EQ243
o TS2669 (659.3) o EQ243
o TS2711 (665.2) o EQ251
o TS2793 (671.9) o EQ263
o TS2799 (652.1) o EQ264
o TS2800 (652.0) o EQ264
o TS2844 (659.7) o EQ279
o TS2845 (659.6) o EQ279
o TS2846 (714.8) o EQ286
o TS2847 (695.9) o EQ348
o TS2848 (739.2) o EQ373
o TS2849 (888.1) o DDC164
o TS2850 (683.0) o DDC165
[ EQ273 ] C1 ENERGY= 651.6 kJ/mol ( -1458.863367 Hartree)
Energy+ZPE= 650.7 kJ/mol ZPE= 0.0179186
CONNECTIONS:
o TS1339 (805.6) o EQ40
[ EQ274 ] Cs ENERGY= 651.7 kJ/mol ( -1458.863330 Hartree)
Energy+ZPE= 648.4 kJ/mol ZPE= 0.0170023
CONNECTIONS:
o TS149 (655.0) o EQ0
o TS2674 (664.7) o EQ245
o TS2778 (679.6) o EQ257
o TS2831 (715.6) o EQ268
o TS2851 (705.4) o EQ346
o TS2852 (768.0) o EQ359
[ EQ275 ] C1 ENERGY= 651.7 kJ/mol ( -1458.863319 Hartree)
Energy+ZPE= 650.7 kJ/mol ZPE= 0.0178870
CONNECTIONS:
o TS150 (798.5) o EQ0
o TS151 (732.0) o EQ0
o TS761 (839.0) o EQ12
o TS762 (761.7) o EQ12
o TS1219 (677.0) o EQ36
o TS1317 (805.4) o EQ39
o TS1340 (777.9) o EQ40
o TS1393 (715.2) o EQ44
o TS2492 (724.3) o EQ217
o TS2506 (833.0) o EQ219
o TS2658 (832.9) o EQ242
o TS2750 (779.4) o EQ256
o TS2853 (823.9) o EQ275
o TS2854 (763.5) o EQ275
o TS2855 (734.9) o EQ275
o TS2856 (693.1) o EQ275
o TS2857 (662.5) o EQ275
o TS2858 (687.0) o EQ329
o TS2859 (686.9) o EQ329
o TS2860 (677.0) o EQ337
o TS2861 (752.7) o EQ338
o TS2862 (677.2) o EQ338
o TS2863 (706.5) o EQ340
o TS2864 (771.4) o EQ349
o TS2865 (828.1) o EQ350
o TS2866 (713.2) o EQ378
o TS2867 (793.7) o EQ381
o TS2868 (718.6) o EQ381
o TS2869 (728.6) o EQ422
o TS2870 (781.3) o EQ434
o TS2871 (893.7) o EQ441
o TS2872 (848.4) o EQ452
o TS2873 (756.2) o EQ474
o TS2874 (809.9) o EQ482
o TS2875 (853.4) o EQ499
o TS2876 (790.1) o EQ503
o TS2877 (795.0) o EQ543
o TS2878 (794.9) o EQ543
o TS2879 (788.0) o EQ571
o TS2880 (814.4) o EQ639
o TS2881 (821.3) o EQ655
o TS2882 (875.8) o EQ777
o TS2883 (866.9) o DDC166
[ EQ276 ] Cs ENERGY= 651.8 kJ/mol ( -1458.863283 Hartree)
Energy+ZPE= 648.4 kJ/mol ZPE= 0.0169797
CONNECTIONS:
o TS152 (655.3) o EQ0
o TS153 (655.2) o EQ0
o TS763 (664.8) o EQ12
[ EQ277 ] C1 ENERGY= 651.9 kJ/mol ( -1458.863273 Hartree)
Energy+ZPE= 650.9 kJ/mol ZPE= 0.0178681
CONNECTIONS:
o TS428 (918.9) o EQ2
o TS1394 (715.1) o EQ44
o TS2052 (851.3) o EQ140
o TS2507 (801.8) o EQ219
o TS2884 (825.1) o EQ350
o TS2885 (806.2) o EQ434
o TS2886 (827.8) o EQ452
o TS2887 (911.7) o EQ702
o TS2888 (839.5) o EQ711
[ EQ278 ] C1 ENERGY= 652.5 kJ/mol ( -1458.863040 Hartree)
Energy+ZPE= 652.0 kJ/mol ZPE= 0.0180614
CONNECTIONS:
o TS764 (739.0) o EQ12
o TS1002 (679.7) o EQ25
o TS1160 (708.9) o EQ33
o TS2200 (666.2) o EQ190
o TS2335 (686.9) o EQ203
o TS2369 (746.3) o EQ207
o TS2370 (692.1) o EQ207
o TS2608 (737.3) o EQ230
o TS2813 (747.6) o EQ266
o TS2889 (691.8) o EQ326
o TS2890 (691.7) o EQ326
o TS2891 (688.9) o EQ345
o TS2892 (688.8) o EQ345
o TS2893 (712.5) o EQ355
o TS2894 (825.8) o EQ361
o TS2895 (825.1) o EQ362
o TS2896 (824.9) o EQ362
o TS2897 (729.5) o EQ370
o TS2898 (826.2) o EQ489
[ EQ279 ] C2v ENERGY= 653.3 kJ/mol ( -1458.862728 Hartree)
Energy+ZPE= 647.9 kJ/mol ZPE= 0.0161922
CONNECTIONS:
o TS489 (664.5) o EQ3
o TS2670 (662.5) o EQ243
o TS2671 (662.4) o EQ243
o TS2712 (660.9) o EQ251
o TS2844 (659.7) o EQ272
o TS2845 (659.6) o EQ272
o TS2899 (685.9) o EQ279
[ EQ280 ] C1 ENERGY= 653.7 kJ/mol ( -1458.862553 Hartree)
Energy+ZPE= 652.4 kJ/mol ZPE= 0.0177534
CONNECTIONS:
o TS154 (712.4) o EQ0
o TS429 (660.6) o EQ2
o TS430 (657.7) o EQ2
o TS2182 (735.8) o EQ186
o TS2371 (679.7) o EQ207
o TS2900 (668.9) o EQ299
o TS2901 (669.1) o EQ300
o TS2902 (723.9) o EQ371
o TS2903 (775.4) o DDC167
[ EQ281 ] C1 ENERGY= 654.3 kJ/mol ( -1458.862324 Hartree)
Energy+ZPE= 652.4 kJ/mol ZPE= 0.0175449
CONNECTIONS:
o TS1161 (655.4) o EQ33
[ EQ282 ] C1 ENERGY= 654.5 kJ/mol ( -1458.862261 Hartree)
Energy+ZPE= 652.6 kJ/mol ZPE= 0.0175268
CONNECTIONS:
o TS643 (657.9) o EQ7
o TS950 (705.9) o EQ22
o TS1162 (655.6) o EQ33
o TS2355 (658.8) o EQ204
o TS2443 (686.2) o EQ213
[ EQ283 ] C1 ENERGY= 654.6 kJ/mol ( -1458.862220 Hartree)
Energy+ZPE= 652.5 kJ/mol ZPE= 0.0174624
CONNECTIONS:
o TS155 (708.8) o EQ0
o TS431 (700.0) o EQ2
o TS432 (657.8) o EQ2
o TS2779 (691.8) o EQ257
o TS2904 (686.7) o EQ283
o TS2905 (672.7) o EQ318
o TS2906 (782.8) o EQ336
o TS2907 (818.2) o EQ340
o TS2908 (733.6) o EQ373
o TS2909 (733.5) o EQ374
[ EQ284 ] C1 ENERGY= 655.1 kJ/mol ( -1458.862033 Hartree)
Energy+ZPE= 653.4 kJ/mol ZPE= 0.0175999
CONNECTIONS:
o TS156 (852.5) o EQ0
o TS2910 (783.9) o EQ284
o TS2911 (789.2) o EQ531
[ EQ285 ] C1 ENERGY= 655.3 kJ/mol ( -1458.861969 Hartree)
Energy+ZPE= 653.5 kJ/mol ZPE= 0.0175684
CONNECTIONS:
o TS157 (660.3) o EQ0
o TS1552 (705.7) o EQ59
o TS2183 (739.0) o EQ186
o TS2237 (691.4) o EQ196
o TS2912 (771.6) o EQ285
o TS2913 (697.4) o EQ289
o TS2914 (729.0) o EQ298
o TS2915 (676.8) o EQ313
o TS2916 (673.5) o EQ314
o TS2917 (886.3) o EQ350
o TS2918 (873.1) o EQ402
o TS2919 (784.9) o EQ531
o TS2920 (890.6) o EQ606
o TS2921 (873.0) o EQ606
o TS2922 (849.3) o EQ609
o TS2923 (890.1) o EQ621
o TS2924 (857.9) o EQ727
[ EQ286 ] C2v ENERGY= 655.8 kJ/mol ( -1458.861761 Hartree)
Energy+ZPE= 654.3 kJ/mol ZPE= 0.0176731
CONNECTIONS:
o TS1859 (689.8) o EQ111
o TS1964 (691.0) o EQ122
o TS2218 (715.9) o EQ192
o TS2580 (988.1) o EQ228
o TS2801 (728.4) o EQ264
o TS2846 (714.8) o EQ272
o TS2925 (799.3) o EQ286
o TS2926 (676.3) o EQ336
o TS2927 (747.9) o EQ356
o TS2928 (748.0) o EQ357
o TS2929 (839.2) o EQ624
o TS2930 (859.8) o EQ737
o TS2931 (1055.3) o DDC168
o UDC108 o
[ EQ287 ] C1 ENERGY= 656.1 kJ/mol ( -1458.861661 Hartree)
Energy+ZPE= 655.0 kJ/mol ZPE= 0.0178312
CONNECTIONS:
o TS765 (656.4) o EQ12
o TS1190 (784.9) o EQ34
o TS1984 (739.4) o EQ125
o TS2707 (710.9) o EQ250
o TS2719 (688.3) o EQ252
o TS2841 (658.0) o EQ271
o TS2932 (677.9) o EQ303
o TS2933 (682.8) o EQ328
o TS2934 (710.0) o EQ393
o TS2935 (764.5) o EQ432
o TS2936 (791.1) o EQ475
o TS2937 (808.0) o EQ500
[ EQ288 ] C1 ENERGY= 657.3 kJ/mol ( -1458.861188 Hartree)
Energy+ZPE= 654.2 kJ/mol ZPE= 0.0170660
CONNECTIONS:
o TS158 (660.9) o EQ0
o TS317 (728.3) o EQ1
o TS318 (682.6) o EQ1
o TS319 (667.6) o EQ1
o TS644 (840.0) o EQ7
o TS2659 (669.1) o EQ242
o TS2660 (668.9) o EQ242
o TS2672 (838.3) o EQ243
o TS2938 (710.7) o EQ288
o TS2939 (710.6) o EQ288
o TS2940 (702.0) o EQ305
o TS2941 (710.9) o EQ332
o TS2942 (781.1) o EQ376
o TS2943 (755.2) o EQ390
o TS2944 (787.2) o EQ572
[ EQ289 ] C1 ENERGY= 658.4 kJ/mol ( -1458.860763 Hartree)
Energy+ZPE= 656.0 kJ/mol ZPE= 0.0173582
CONNECTIONS:
o TS1553 (671.5) o EQ59
o TS2184 (672.3) o EQ186
o TS2185 (672.1) o EQ186
o TS2534 (687.7) o EQ222
o TS2622 (727.8) o EQ232
o TS2913 (697.4) o EQ285
o TS2945 (857.0) o EQ298
o TS2946 (671.1) o EQ298
o TS2947 (671.0) o EQ298
o TS2948 (668.3) o EQ309
o TS2949 (860.8) o EQ736
o TS2950 (921.7) o EQ825
[ EQ290 ] Cs ENERGY= 659.9 kJ/mol ( -1458.860215 Hartree)
Energy+ZPE= 656.8 kJ/mol ZPE= 0.0170645
CONNECTIONS:
o TS159 (687.1) o EQ0
o TS2729 (660.7) o EQ254
o TS2951 (767.5) o EQ462
o TS2952 (672.9) o DDC169
[ EQ291 ] C1 ENERGY= 660.0 kJ/mol ( -1458.860180 Hartree)
Energy+ZPE= 658.0 kJ/mol ZPE= 0.0175078
CONNECTIONS:
o TS160 (687.2) o EQ0
o TS433 (701.4) o EQ2
o TS1276 (883.8) o EQ37
o TS1765 (669.8) o EQ93
o TS1766 (669.7) o EQ93
o TS2550 (671.3) o EQ224
o TS2551 (671.1) o EQ224
o TS2953 (663.0) o EQ303
o TS2954 (757.7) o EQ394
o TS2955 (757.5) o EQ394
o TS2956 (866.4) o EQ705
[ EQ292 ] C2v ENERGY= 660.0 kJ/mol ( -1458.860172 Hartree)
Energy+ZPE= 658.5 kJ/mol ZPE= 0.0176737
CONNECTIONS:
o TS434 (683.2) o EQ2
o TS435 (683.0) o EQ2
o TS865 (728.2) o EQ13
o TS1531 (740.4) o EQ58
o TS1532 (721.7) o EQ58
o TS2785 (716.5) o EQ261
o TS2957 (678.5) o EQ336
o TS2958 (901.7) o EQ589
o TS2959 (834.4) o EQ636
o TS2960 (731.7) o DDC170
o UDC109 o
[ EQ293 ] C1 ENERGY= 660.2 kJ/mol ( -1458.860091 Hartree)
Energy+ZPE= 661.6 kJ/mol ZPE= 0.0188030
CONNECTIONS:
o TS972 (699.3) o EQ23
o TS1318 (736.2) o EQ39
o TS1341 (786.1) o EQ40
o TS2250 (869.3) o EQ197
o TS2276 (868.5) o EQ199
o TS2277 (827.7) o EQ199
o TS2961 (751.7) o EQ293
o TS2962 (750.4) o EQ295
o TS2963 (892.0) o EQ330
o TS2964 (693.8) o EQ338
o TS2965 (690.4) o EQ344
o TS2966 (914.7) o EQ347
o TS2967 (768.2) o EQ347
o TS2968 (739.0) o EQ414
o TS2969 (717.8) o EQ417
o TS2970 (727.5) o EQ422
o TS2971 (745.8) o EQ452
o TS2972 (795.4) o EQ482
o TS2973 (774.0) o EQ499
o TS2974 (797.4) o EQ514
o TS2975 (801.1) o EQ530
o TS2976 (885.3) o EQ537
o TS2977 (773.1) o EQ537
o TS2978 (801.3) o EQ599
o TS2979 (965.6) o EQ605
o TS2980 (816.6) o EQ625
o TS2981 (885.2) o EQ795
o TS2982 (885.4) o EQ797
o TS2983 (932.8) o EQ835
o TS2984 (989.7) o EQ869
[ EQ294 ] C1 ENERGY= 660.3 kJ/mol ( -1458.860050 Hartree)
Energy+ZPE= 657.7 kJ/mol ZPE= 0.0172694
CONNECTIONS:
o TS161 (662.4) o EQ0
o TS884 (703.7) o EQ15
o TS885 (678.9) o EQ15
o TS2186 (667.1) o EQ186
o TS2528 (679.4) o EQ221
o TS2742 (824.3) o EQ255
o TS2751 (767.4) o EQ256
o TS2985 (773.1) o EQ370
o TS2986 (815.0) o EQ406
o TS2987 (821.9) o EQ434
o TS2988 (805.6) o EQ538
o TS2989 (830.5) o DDC171
[ EQ295 ] C1 ENERGY= 660.3 kJ/mol ( -1458.860043 Hartree)
Energy+ZPE= 661.7 kJ/mol ZPE= 0.0187863
CONNECTIONS:
o TS2962 (750.4) o EQ293
o TS2990 (863.6) o EQ338
o TS2991 (857.6) o EQ635
o TS2992 (821.8) o EQ649
o TS2993 (889.4) o EQ720
[ EQ296 ] C1 ENERGY= 660.3 kJ/mol ( -1458.860039 Hartree)
Energy+ZPE= 658.2 kJ/mol ZPE= 0.0174492
CONNECTIONS:
[ EQ297 ] C1 ENERGY= 660.4 kJ/mol ( -1458.859998 Hartree)
Energy+ZPE= 657.7 kJ/mol ZPE= 0.0172435
CONNECTIONS:
o TS886 (844.7) o EQ15
o TS2752 (670.6) o EQ256
o TS2753 (670.5) o EQ256
o TS2994 (822.1) o EQ470
o TS2995 (855.1) o EQ615
o TS2996 (840.3) o EQ615
[ EQ298 ] C1 ENERGY= 660.5 kJ/mol ( -1458.859993 Hartree)
Energy+ZPE= 658.3 kJ/mol ZPE= 0.0174158
CONNECTIONS:
o TS162 (667.5) o EQ0
o TS163 (667.3) o EQ0
o TS320 (668.3) o EQ1
o TS321 (668.2) o EQ1
o TS2278 (818.4) o EQ199
o TS2552 (680.4) o EQ224
o TS2914 (729.0) o EQ285
o TS2945 (857.0) o EQ289
o TS2946 (671.1) o EQ289
o TS2947 (671.0) o EQ289
o TS2997 (863.0) o EQ377
o TS2998 (846.2) o DDC172
[ EQ299 ] C1 ENERGY= 660.9 kJ/mol ( -1458.859841 Hartree)
Energy+ZPE= 660.0 kJ/mol ZPE= 0.0179223
CONNECTIONS:
o TS2201 (664.4) o EQ190
o TS2336 (664.2) o EQ203
o TS2832 (728.0) o EQ268
o TS2900 (668.9) o EQ280
o TS2999 (785.9) o EQ299
o TS3000 (681.2) o EQ343
o TS3001 (796.8) o EQ398
o TS3002 (760.2) o EQ492
o TS3003 (760.1) o EQ492
o TS3004 (766.1) o EQ507
o TS3005 (768.7) o DDC173
[ EQ300 ] C1 ENERGY= 661.0 kJ/mol ( -1458.859789 Hartree)
Energy+ZPE= 660.0 kJ/mol ZPE= 0.0178946
CONNECTIONS:
o TS2720 (685.9) o EQ252
o TS2901 (669.1) o EQ280
o TS3006 (782.1) o DDC174
o TS3007 (713.9) o DDC175
o TS3008 (667.4) o DDC176
[ EQ301 ] Cs ENERGY= 661.6 kJ/mol ( -1458.859552 Hartree)
Energy+ZPE= 663.4 kJ/mol ZPE= 0.0189479
CONNECTIONS:
o TS436 (691.2) o EQ2
o TS766 (888.1) o EQ12
o TS1791 (696.1) o EQ94
o TS1985 (792.5) o EQ125
o TS1986 (748.2) o EQ125
o TS2609 (711.6) o EQ230
o TS3009 (943.4) o EQ301
o TS3010 (983.8) o EQ330
o TS3011 (827.4) o EQ339
o TS3012 (705.7) o EQ377
o TS3013 (938.4) o EQ406
o TS3014 (743.6) o EQ432
o TS3015 (918.9) o EQ495
o TS3016 (809.3) o EQ504
o TS3017 (816.2) o EQ511
o TS3018 (815.1) o EQ511
o TS3019 (798.8) o EQ578
[ EQ302 ] C1 ENERGY= 662.3 kJ/mol ( -1458.859310 Hartree)
Energy+ZPE= 661.2 kJ/mol ZPE= 0.0178547
CONNECTIONS:
o TS1277 (873.7) o EQ37
o TS3020 (907.1) o EQ440
o TS3021 (802.0) o EQ543
[ EQ303 ] C1 ENERGY= 662.4 kJ/mol ( -1458.859261 Hartree)
Energy+ZPE= 661.3 kJ/mol ZPE= 0.0178386
CONNECTIONS:
o TS767 (723.4) o EQ12
o TS2279 (662.5) o EQ199
o TS2932 (677.9) o EQ287
o TS2953 (663.0) o EQ291
[ EQ304 ] C1 ENERGY= 662.7 kJ/mol ( -1458.859144 Hartree)
Energy+ZPE= 662.6 kJ/mol ZPE= 0.0182165
CONNECTIONS:
o TS2337 (662.9) o EQ203
o TS2338 (662.7) o EQ203
o TS3022 (710.5) o EQ360
o TS3023 (988.2) o EQ819
[ EQ305 ] C1 ENERGY= 663.7 kJ/mol ( -1458.858762 Hartree)
Energy+ZPE= 660.9 kJ/mol ZPE= 0.0172089
CONNECTIONS:
o TS164 (677.8) o EQ0
o TS165 (670.3) o EQ0
o TS2730 (685.9) o EQ254
o TS2940 (702.0) o EQ288
o TS3024 (674.2) o EQ323
[ EQ306 ] C1 ENERGY= 663.8 kJ/mol ( -1458.858705 Hartree)
Energy+ZPE= 661.0 kJ/mol ZPE= 0.0171770
CONNECTIONS:
o TS166 (714.9) o EQ0
o TS167 (696.9) o EQ0
o TS168 (677.7) o EQ0
o TS169 (672.3) o EQ0
o TS2591 (714.1) o EQ229
o TS3025 (674.5) o EQ323
o TS3026 (734.8) o EQ355
[ EQ307 ] C1 ENERGY= 663.9 kJ/mol ( -1458.858700 Hartree)
Energy+ZPE= 662.2 kJ/mol ZPE= 0.0175925
CONNECTIONS:
o TS170 (668.1) o EQ0
o TS1191 (709.1) o EQ34
o TS2439 (663.9) o EQ211
o TS2610 (677.1) o EQ230
[ EQ308 ] Cs ENERGY= 664.8 kJ/mol ( -1458.858325 Hartree)
Energy+ZPE= 664.8 kJ/mol ZPE= 0.0182709
CONNECTIONS:
o TS1163 (707.0) o EQ33
o TS2804 (665.7) o EQ265
o TS3027 (911.8) o EQ334
o TS3028 (695.2) o EQ341
o TS3029 (702.2) o EQ356
o TS3030 (732.2) o EQ417
o TS3031 (806.2) o EQ443
o TS3032 (808.9) o EQ452
o TS3033 (774.4) o EQ530
[ EQ309 ] C1 ENERGY= 667.5 kJ/mol ( -1458.857319 Hartree)
Energy+ZPE= 665.2 kJ/mol ZPE= 0.0173715
CONNECTIONS:
o TS171 (732.3) o EQ0
o TS172 (678.4) o EQ0
o TS1854 (689.0) o EQ106
o TS2356 (842.6) o EQ204
o TS2948 (668.3) o EQ289
o TS3034 (679.8) o EQ333
o TS3035 (699.8) o EQ366
o TS3036 (717.0) o EQ391
o TS3037 (790.8) o EQ441
o TS3038 (878.4) o DDC177
[ EQ310 ] C1 ENERGY= 667.7 kJ/mol ( -1458.857245 Hartree)
Energy+ZPE= 668.7 kJ/mol ZPE= 0.0186249
CONNECTIONS:
o TS1192 (680.2) o EQ34
o TS1716 (930.0) o EQ88
o TS2307 (812.2) o EQ200
o TS2308 (789.3) o EQ200
o TS3039 (921.1) o EQ310
o TS3040 (686.5) o EQ312
o TS3041 (742.8) o EQ448
o TS3042 (798.9) o EQ525
o TS3043 (956.0) o EQ756
o TS3044 (863.0) o EQ765
o UDC110 o
[ EQ311 ] C1 ENERGY= 667.8 kJ/mol ( -1458.857197 Hartree)
Energy+ZPE= 664.1 kJ/mol ZPE= 0.0168625
CONNECTIONS:
o TS173 (670.2) o EQ0
o TS437 (715.9) o EQ2
o TS571 (753.8) o EQ5
o TS645 (699.3) o EQ7
o TS951 (669.0) o EQ22
o TS2280 (677.5) o EQ199
o TS2508 (673.3) o EQ219
o TS2592 (707.2) o EQ229
o TS2654 (708.1) o EQ241
o TS2821 (694.2) o EQ267
o TS3045 (709.1) o EQ380
o TS3046 (742.0) o EQ407
o TS3047 (723.7) o EQ411
o TS3048 (719.3) o EQ419
o TS3049 (723.9) o EQ420
o TS3050 (796.3) o EQ504
o TS3051 (781.5) o EQ533
o TS3052 (819.1) o EQ612
[ EQ312 ] Cs ENERGY= 668.6 kJ/mol ( -1458.856899 Hartree)
Energy+ZPE= 669.7 kJ/mol ZPE= 0.0186790
CONNECTIONS:
o TS768 (834.8) o EQ12
o TS769 (788.8) o EQ12
o TS770 (727.8) o EQ12
o TS887 (794.3) o EQ15
o TS1114 (759.0) o EQ31
o TS1193 (771.0) o EQ34
o TS1767 (834.1) o EQ93
o TS2219 (783.6) o EQ192
o TS2251 (723.7) o EQ197
o TS2360 (779.9) o EQ206
o TS2509 (820.4) o EQ219
o TS2643 (954.1) o EQ239
o TS2805 (863.9) o EQ265
o TS3040 (686.5) o EQ310
o TS3053 (1086.1) o EQ312
o TS3054 (976.5) o EQ312
o TS3055 (728.6) o EQ334
o TS3056 (728.4) o EQ334
o TS3057 (742.9) o EQ444
o TS3058 (784.9) o EQ555
o TS3059 (792.5) o EQ565
o TS3060 (789.9) o EQ565
o TS3061 (804.6) o EQ586
o TS3062 (829.0) o EQ610
o TS3063 (935.5) o EQ749
o TS3064 (991.2) o EQ766
o UDC111 o
[ EQ313 ] C1 ENERGY= 669.8 kJ/mol ( -1458.856451 Hartree)
Energy+ZPE= 668.4 kJ/mol ZPE= 0.0177212
CONNECTIONS:
o TS174 (677.9) o EQ0
o TS175 (677.7) o EQ0
o TS2538 (680.3) o EQ223
o TS2623 (671.0) o EQ232
o TS2915 (676.8) o EQ285
[ EQ314 ] C1 ENERGY= 670.1 kJ/mol ( -1458.856324 Hartree)
Energy+ZPE= 668.1 kJ/mol ZPE= 0.0174824
CONNECTIONS:
o TS176 (754.7) o EQ0
o TS923 (674.4) o EQ17
o TS1855 (680.5) o EQ106
o TS2309 (753.5) o EQ200
o TS2440 (690.8) o EQ211
o TS2916 (673.5) o EQ285
o TS3065 (800.5) o EQ463
[ EQ315 ] C1 ENERGY= 670.1 kJ/mol ( -1458.856320 Hartree)
Energy+ZPE= 668.0 kJ/mol ZPE= 0.0174454
CONNECTIONS:
o TS1003 (676.5) o EQ25
o TS2402 (782.3) o EQ208
o TS2529 (671.2) o EQ221
o TS2788 (688.1) o EQ262
o TS3066 (722.4) o EQ355
o TS3067 (782.7) o EQ559
o TS3068 (801.1) o EQ602
[ EQ316 ] C1 ENERGY= 671.1 kJ/mol ( -1458.855944 Hartree)
Energy+ZPE= 671.7 kJ/mol ZPE= 0.0184819
CONNECTIONS:
o TS3069 (820.0) o EQ484
o TS3070 (836.0) o EQ707
[ EQ317 ] C1 ENERGY= 671.2 kJ/mol ( -1458.855889 Hartree)
Energy+ZPE= 671.7 kJ/mol ZPE= 0.0184431
CONNECTIONS:
o TS438 (706.4) o EQ2
o TS439 (706.2) o EQ2
o TS440 (696.5) o EQ2
o TS441 (696.3) o EQ2
o TS973 (694.5) o EQ23
o TS974 (694.3) o EQ23
o TS2120 (788.6) o EQ160
o TS2780 (701.4) o EQ257
o TS3071 (673.7) o EQ317
o TS3072 (681.9) o EQ344
o TS3073 (681.7) o EQ344
o TS3074 (749.7) o EQ402
o TS3075 (749.6) o EQ402
o TS3076 (746.5) o EQ402
[ EQ318 ] C1 ENERGY= 671.3 kJ/mol ( -1458.855870 Hartree)
Energy+ZPE= 668.7 kJ/mol ZPE= 0.0172803
CONNECTIONS:
o TS322 (1064.4) o EQ1
o TS442 (678.1) o EQ2
o TS646 (702.8) o EQ7
o TS1965 (698.3) o EQ122
o TS2802 (727.2) o EQ264
o TS2905 (672.7) o EQ283
[ EQ319 ] C1 ENERGY= 671.6 kJ/mol ( -1458.855768 Hartree)
Energy+ZPE= 669.6 kJ/mol ZPE= 0.0175120
CONNECTIONS:
o TS1220 (684.6) o EQ36
o TS1377 (712.3) o EQ42
o TS2564 (672.1) o EQ225
o TS3077 (746.1) o EQ458
[ EQ320 ] C1 ENERGY= 671.7 kJ/mol ( -1458.855729 Hartree)
Energy+ZPE= 669.0 kJ/mol ZPE= 0.0172168
CONNECTIONS:
o TS323 (682.3) o EQ1
o TS888 (834.3) o EQ15
o TS2510 (673.0) o EQ219
o TS3078 (715.5) o EQ332
o TS3079 (715.3) o EQ332
o TS3080 (734.3) o EQ376
[ EQ321 ] C1 ENERGY= 671.7 kJ/mol ( -1458.855721 Hartree)
Energy+ZPE= 667.1 kJ/mol ZPE= 0.0164973
CONNECTIONS:
o TS177 (695.7) o EQ0
o TS178 (671.9) o EQ0
o TS2403 (692.1) o EQ208
o TS3081 (677.0) o EQ323
[ EQ322 ] C1 ENERGY= 671.7 kJ/mol ( -1458.855699 Hartree)
Energy+ZPE= 669.6 kJ/mol ZPE= 0.0174694
CONNECTIONS:
o TS1221 (684.7) o EQ36
o TS2539 (672.3) o EQ223
o TS3082 (772.9) o EQ322
o TS3083 (706.7) o EQ372
o TS3084 (706.5) o EQ372
o TS3085 (746.0) o EQ457
o TS3086 (779.9) o EQ536
[ EQ323 ] C1 ENERGY= 671.8 kJ/mol ( -1458.855662 Hartree)
Energy+ZPE= 667.1 kJ/mol ZPE= 0.0164737
CONNECTIONS:
o TS179 (672.1) o EQ0
o TS180 (671.9) o EQ0
o TS2731 (678.5) o EQ254
o TS3024 (674.2) o EQ305
o TS3025 (674.5) o EQ306
o TS3081 (677.0) o EQ321
[ EQ324 ] C1 ENERGY= 672.1 kJ/mol ( -1458.855579 Hartree)
Energy+ZPE= 667.2 kJ/mol ZPE= 0.0164036
CONNECTIONS:
o TS181 (695.9) o EQ0
o TS2404 (692.4) o EQ208
o TS2743 (678.7) o EQ255
[ EQ325 ] C1 ENERGY= 672.7 kJ/mol ( -1458.855321 Hartree)
Energy+ZPE= 672.8 kJ/mol ZPE= 0.0182946
CONNECTIONS:
o TS2486 (697.8) o EQ216
o TS2498 (698.0) o EQ218
o TS2781 (673.2) o EQ257
o TS3087 (694.6) o EQ338
o TS3088 (799.3) o EQ454
[ EQ326 ] C1 ENERGY= 672.9 kJ/mol ( -1458.855246 Hartree)
Energy+ZPE= 673.9 kJ/mol ZPE= 0.0186260
CONNECTIONS:
o TS1072 (734.9) o EQ30
o TS1164 (743.7) o EQ33
o TS2372 (772.2) o EQ207
o TS2373 (748.5) o EQ207
o TS2833 (701.6) o EQ268
o TS2834 (698.9) o EQ268
o TS2889 (691.8) o EQ278
o TS2890 (691.7) o EQ278
o TS3089 (733.8) o EQ326
o TS3090 (784.6) o EQ355
o TS3091 (904.9) o EQ361
o TS3092 (729.0) o EQ382
o TS3093 (754.8) o EQ471
o TS3094 (876.7) o EQ633
o TS3095 (1241.5) o EQ903
o TS3096 (716.8) o DDC178
[ EQ327 ] C1 ENERGY= 673.2 kJ/mol ( -1458.855152 Hartree)
Energy+ZPE= 671.4 kJ/mol ZPE= 0.0175767
CONNECTIONS:
o TS2611 (673.2) o EQ230
[ EQ328 ] C1 ENERGY= 673.2 kJ/mol ( -1458.855142 Hartree)
Energy+ZPE= 675.2 kJ/mol ZPE= 0.0190025
CONNECTIONS:
o TS1194 (699.1) o EQ34
o TS2339 (686.5) o EQ203
o TS2842 (944.8) o EQ271
o TS2843 (680.2) o EQ271
o TS2933 (682.8) o EQ287
o TS3097 (673.6) o EQ328
o TS3098 (673.3) o EQ328
o TS3099 (718.5) o EQ341
o TS3100 (718.0) o EQ383
o TS3101 (900.6) o EQ819
[ EQ329 ] Cs ENERGY= 673.5 kJ/mol ( -1458.855008 Hartree)
Energy+ZPE= 672.8 kJ/mol ZPE= 0.0179774
CONNECTIONS:
o TS182 (771.8) o EQ0
o TS443 (726.2) o EQ2
o TS1470 (774.6) o EQ53
o TS2723 (928.2) o EQ253
o TS2858 (687.0) o EQ275
o TS2859 (686.9) o EQ275
o TS3102 (942.6) o EQ416
o TS3103 (718.4) o EQ416
o TS3104 (783.9) o EQ553
o TS3105 (929.0) o EQ833
[ EQ330 ] C1 ENERGY= 674.3 kJ/mol ( -1458.854734 Hartree)
Energy+ZPE= 672.3 kJ/mol ZPE= 0.0174841
CONNECTIONS:
o TS2405 (709.4) o EQ208
o TS2593 (728.6) o EQ229
o TS2963 (892.0) o EQ293
o TS3010 (983.8) o EQ301
o TS3106 (752.6) o EQ345
o TS3107 (752.4) o EQ345
o TS3108 (721.6) o EQ406
o TS3109 (759.8) o EQ472
o TS3110 (865.9) o EQ484
o TS3111 (892.4) o EQ707
o TS3112 (979.2) o EQ777
o TS3113 (1055.7) o EQ862
[ EQ331 ] C1 ENERGY= 674.4 kJ/mol ( -1458.854686 Hartree)
Energy+ZPE= 672.3 kJ/mol ZPE= 0.0174540
CONNECTIONS:
o TS2673 (678.2) o EQ244
o TS2732 (684.1) o EQ254
o TS3114 (866.9) o EQ732
[ EQ332 ] C1 ENERGY= 675.3 kJ/mol ( -1458.854360 Hartree)
Energy+ZPE= 671.6 kJ/mol ZPE= 0.0168556
CONNECTIONS:
o TS324 (676.9) o EQ1
o TS2281 (758.9) o EQ199
o TS2282 (758.7) o EQ199
o TS2511 (678.5) o EQ219
o TS2941 (710.9) o EQ288
o TS3078 (715.5) o EQ320
o TS3079 (715.3) o EQ320
[ EQ333 ] C1 ENERGY= 675.6 kJ/mol ( -1458.854234 Hartree)
Energy+ZPE= 673.0 kJ/mol ZPE= 0.0172593
CONNECTIONS:
o TS183 (828.4) o EQ0
o TS1115 (682.7) o EQ31
o TS2310 (675.8) o EQ200
o TS2624 (678.3) o EQ232
o TS3034 (679.8) o EQ309
[ EQ334 ] C1 ENERGY= 675.9 kJ/mol ( -1458.854114 Hartree)
Energy+ZPE= 675.0 kJ/mol ZPE= 0.0179133
CONNECTIONS:
o TS444 (675.9) o EQ2
o TS2038 (680.3) o EQ137
o TS3027 (911.8) o EQ308
o TS3055 (728.6) o EQ312
o TS3056 (728.4) o EQ312
o TS3115 (697.6) o EQ356
[ EQ335 ] C1 ENERGY= 676.2 kJ/mol ( -1458.853982 Hartree)
Energy+ZPE= 673.4 kJ/mol ZPE= 0.0171936
CONNECTIONS:
o TS647 (677.2) o EQ7
o TS1449 (681.0) o EQ51
o TS1901 (692.6) o EQ116
o TS2283 (679.3) o EQ199
o TS2612 (682.1) o EQ230
o TS2786 (705.7) o EQ261
o TS3116 (802.5) o EQ394
o TS3117 (822.9) o EQ636
[ EQ336 ] C1 ENERGY= 676.3 kJ/mol ( -1458.853968 Hartree)
Energy+ZPE= 674.6 kJ/mol ZPE= 0.0176194
CONNECTIONS:
o TS445 (682.6) o EQ2
o TS1195 (708.6) o EQ34
o TS2578 (735.8) o EQ227
o TS2906 (782.8) o EQ283
o TS2926 (676.3) o EQ286
o TS2957 (678.5) o EQ292
o TS3118 (801.0) o EQ482
o TS3119 (824.0) o EQ511
o UDC112 o
[ EQ337 ] C1 ENERGY= 676.8 kJ/mol ( -1458.853754 Hartree)
Energy+ZPE= 675.3 kJ/mol ZPE= 0.0176868
CONNECTIONS:
o TS2860 (677.0) o EQ275
o TS3120 (720.6) o EQ337
o TS3121 (729.1) o EQ359
o TS3122 (818.0) o EQ625
o TS3123 (876.8) o EQ635
[ EQ338 ] C1 ENERGY= 677.0 kJ/mol ( -1458.853692 Hartree)
Energy+ZPE= 675.4 kJ/mol ZPE= 0.0176429
CONNECTIONS:
o TS446 (916.0) o EQ2
o TS447 (690.1) o EQ2
o TS771 (719.7) o EQ12
o TS772 (697.4) o EQ12
o TS2202 (712.2) o EQ190
o TS2806 (681.0) o EQ265
o TS2861 (752.7) o EQ275
o TS2862 (677.2) o EQ275
o TS2964 (693.8) o EQ293
o TS2990 (863.6) o EQ295
o TS3087 (694.6) o EQ325
o TS3124 (688.8) o EQ352
o TS3125 (734.9) o EQ359
o TS3126 (729.3) o EQ359
o TS3127 (847.6) o EQ713
[ EQ339 ] C1 ENERGY= 678.0 kJ/mol ( -1458.853327 Hartree)
Energy+ZPE= 677.4 kJ/mol ZPE= 0.0180095
CONNECTIONS:
o TS1717 (689.1) o EQ88
o TS2121 (823.2) o EQ160
o TS2361 (679.9) o EQ206
o TS2374 (714.0) o EQ207
o TS2724 (695.0) o EQ253
o TS2725 (694.8) o EQ253
o TS2814 (697.5) o EQ266
o TS3011 (827.4) o EQ301
o TS3128 (710.6) o EQ370
o TS3129 (905.0) o EQ795
o TS3130 (693.6) o DDC179
[ EQ340 ] Cs ENERGY= 678.4 kJ/mol ( -1458.853157 Hartree)
Energy+ZPE= 679.8 kJ/mol ZPE= 0.0187734
CONNECTIONS:
o TS1533 (738.0) o EQ58
o TS2807 (687.0) o EQ265
o TS2863 (706.5) o EQ275
o TS2907 (818.2) o EQ283
o TS3131 (770.0) o EQ340
o TS3132 (1002.8) o EQ867
[ EQ341 ] C1 ENERGY= 678.8 kJ/mol ( -1458.852995 Hartree)
Energy+ZPE= 678.7 kJ/mol ZPE= 0.0182275
CONNECTIONS:
o TS604 (778.3) o EQ6
o TS773 (767.1) o EQ12
o TS1004 (863.9) o EQ25
o TS1165 (809.1) o EQ33
o TS1166 (705.2) o EQ33
o TS3028 (695.2) o EQ308
o TS3099 (718.5) o EQ328
o TS3133 (1029.3) o EQ341
o TS3134 (866.0) o EQ341
o TS3135 (703.3) o EQ341
o TS3136 (688.4) o EQ341
o TS3137 (830.2) o EQ382
o TS3138 (782.8) o EQ454
o TS3139 (800.7) o EQ465
o TS3140 (883.8) o EQ478
o TS3141 (857.0) o EQ502
o TS3142 (895.6) o EQ530
o TS3143 (964.3) o EQ599
o TS3144 (898.5) o EQ599
o TS3145 (956.3) o EQ793
o TS3146 (931.9) o EQ820
o UDC113 o
[ EQ342 ] C1 ENERGY= 679.4 kJ/mol ( -1458.852795 Hartree)
Energy+ZPE= 675.9 kJ/mol ZPE= 0.0169137
CONNECTIONS:
o TS184 (698.2) o EQ0
o TS2406 (827.5) o EQ208
o TS2407 (679.5) o EQ208
o TS2462 (730.8) o EQ215
o TS2487 (706.8) o EQ216
o TS2493 (706.7) o EQ217
o TS2638 (707.1) o EQ236
o TS3147 (697.9) o EQ342
o TS3148 (729.1) o EQ355
o TS3149 (732.0) o EQ360
o TS3150 (706.8) o EQ364
o TS3151 (706.6) o EQ367
o TS3152 (732.4) o EQ384
o TS3153 (739.4) o EQ408
o TS3154 (917.7) o EQ828
[ EQ343 ] C1 ENERGY= 681.2 kJ/mol ( -1458.852098 Hartree)
Energy+ZPE= 679.3 kJ/mol ZPE= 0.0175378
CONNECTIONS:
o TS3000 (681.2) o EQ299
o TS3155 (796.7) o EQ399
[ EQ344 ] C1 ENERGY= 681.3 kJ/mol ( -1458.852050 Hartree)
Energy+ZPE= 681.3 kJ/mol ZPE= 0.0182739
CONNECTIONS:
o TS185 (760.0) o EQ0
o TS186 (759.9) o EQ0
o TS2965 (690.4) o EQ293
o TS3072 (681.9) o EQ317
o TS3073 (681.7) o EQ317
o TS3156 (745.9) o EQ344
o TS3157 (785.1) o EQ480
o TS3158 (895.0) o EQ707
o TS3159 (866.9) o EQ707
o TS3160 (744.0) o DDC180
[ EQ345 ] C1 ENERGY= 681.4 kJ/mol ( -1458.852006 Hartree)
Energy+ZPE= 679.3 kJ/mol ZPE= 0.0174573
CONNECTIONS:
o TS187 (773.8) o EQ0
o TS188 (708.8) o EQ0
o TS2835 (715.5) o EQ268
o TS2891 (688.9) o EQ278
o TS2892 (688.8) o EQ278
o TS3106 (752.6) o EQ330
o TS3107 (752.4) o EQ330
[ EQ346 ] C1 ENERGY= 681.6 kJ/mol ( -1458.851957 Hartree)
Energy+ZPE= 679.5 kJ/mol ZPE= 0.0174389
CONNECTIONS:
o TS189 (757.0) o EQ0
o TS190 (756.8) o EQ0
o TS191 (704.3) o EQ0
o TS192 (701.9) o EQ0
o TS2836 (715.6) o EQ268
o TS2851 (705.4) o EQ274
o TS3161 (722.2) o EQ355
o TS3162 (740.4) o EQ379
o TS3163 (714.7) o EQ404
o TS3164 (752.8) o EQ450
o TS3165 (752.9) o EQ472
o TS3166 (815.4) o EQ491
o TS3167 (786.6) o EQ559
o TS3168 (786.9) o EQ560
[ EQ347 ] C1 ENERGY= 684.8 kJ/mol ( -1458.850739 Hartree)
Energy+ZPE= 688.7 kJ/mol ZPE= 0.0197537
CONNECTIONS:
o TS1450 (935.7) o EQ51
o TS1486 (729.5) o EQ54
o TS1504 (738.9) o EQ55
o TS1628 (927.1) o EQ72
o TS1629 (826.4) o EQ72
o TS2284 (882.5) o EQ199
o TS2644 (702.4) o EQ239
o TS2966 (914.7) o EQ293
o TS2967 (768.2) o EQ293
o TS3169 (699.4) o EQ347
o TS3170 (689.7) o EQ347
o TS3171 (687.1) o EQ347
o TS3172 (816.8) o EQ350
o TS3173 (766.5) o EQ414
o TS3174 (928.1) o EQ440
o TS3175 (818.2) o EQ543
o TS3176 (987.4) o EQ861
o TS3177 (988.7) o EQ864
[ EQ348 ] C1 ENERGY= 685.0 kJ/mol ( -1458.850663 Hartree)
Energy+ZPE= 683.0 kJ/mol ZPE= 0.0175116
CONNECTIONS:
o TS547 (727.8) o EQ4
o TS648 (738.0) o EQ7
o TS1278 (741.0) o EQ37
o TS2463 (755.3) o EQ215
o TS2553 (711.9) o EQ224
o TS2613 (699.2) o EQ230
o TS2847 (695.9) o EQ272
o TS3178 (737.8) o EQ348
o TS3179 (704.0) o EQ352
o TS3180 (832.7) o EQ380
o TS3181 (729.0) o EQ411
[ EQ349 ] C1 ENERGY= 685.4 kJ/mol ( -1458.850507 Hartree)
Energy+ZPE= 686.9 kJ/mol ZPE= 0.0188420
CONNECTIONS:
o TS548 (895.8) o EQ4
o TS1437 (728.2) o EQ50
o TS1438 (717.8) o EQ50
o TS1588 (732.9) o EQ68
o TS2645 (732.0) o EQ239
o TS2864 (771.4) o EQ275
o TS3182 (799.6) o EQ350
o TS3183 (713.7) o EQ350
o TS3184 (707.5) o EQ350
o TS3185 (706.7) o EQ350
o TS3186 (719.0) o EQ375
o TS3187 (781.3) o EQ543
o TS3188 (984.9) o EQ855
o TS3189 (989.3) o EQ863
[ EQ350 ] C1 ENERGY= 685.5 kJ/mol ( -1458.850461 Hartree)
Energy+ZPE= 687.0 kJ/mol ZPE= 0.0188312
CONNECTIONS:
o TS1342 (799.5) o EQ40
o TS1645 (736.9) o EQ75
o TS2646 (731.8) o EQ239
o TS2704 (927.1) o EQ249
o TS2865 (828.1) o EQ275
o TS2884 (825.1) o EQ277
o TS2917 (886.3) o EQ285
o TS3172 (816.8) o EQ347
o TS3182 (799.6) o EQ349
o TS3183 (713.7) o EQ349
o TS3184 (707.5) o EQ349
o TS3185 (706.7) o EQ349
o TS3190 (719.1) o EQ375
o TS3191 (731.6) o EQ414
o TS3192 (731.5) o EQ414
o TS3193 (830.9) o EQ499
o TS3194 (794.5) o EQ543
o TS3195 (781.1) o EQ543
o TS3196 (798.4) o EQ585
o TS3197 (931.7) o EQ664
o TS3198 (985.1) o EQ856
o UDC114 o
[ EQ351 ] C1 ENERGY= 688.5 kJ/mol ( -1458.849299 Hartree)
Energy+ZPE= 687.4 kJ/mol ZPE= 0.0178450
CONNECTIONS:
o TS1279 (708.2) o EQ37
o TS1925 (729.7) o EQ117
o TS2680 (745.1) o EQ247
o TS2681 (744.9) o EQ247
[ EQ352 ] C1 ENERGY= 688.7 kJ/mol ( -1458.849233 Hartree)
Energy+ZPE= 687.5 kJ/mol ZPE= 0.0178106
CONNECTIONS:
o TS649 (744.3) o EQ7
o TS650 (744.2) o EQ7
o TS1280 (708.3) o EQ37
o TS3124 (688.8) o EQ338
o TS3179 (704.0) o EQ348
[ EQ353 ] Cs ENERGY= 690.4 kJ/mol ( -1458.848593 Hartree)
Energy+ZPE= 687.2 kJ/mol ZPE= 0.0170554
CONNECTIONS:
o TS193 (690.9) o EQ0
o TS3199 (816.6) o