Reaction Routes of
H6C5O
Explored by
_
G_ R_ R_ M

at the Level of B3LYP/6-31G**

© 2009 Koichi OHNO


Explored: EQ2535 TS8252
[ EQ0 ]
Cs ENERGY= 0.0 kJ/mol ( -269.3581835 Hartree) Energy+ZPE= 0.0 kJ/mol ZPE= 0.0980356 CONNECTIONS: o TS0 (442.0) o EQ33 o TS1 (467.7) o EQ36 o TS2 (361.0) o EQ55 o TS3 (380.3) o EQ58 o TS4 (297.6) o EQ133 o TS5 (416.3) o EQ177 o TS6 (498.7) o EQ252 o TS7 (435.8) o EQ425 o TS8 (660.6) o EQ584 o TS9 (374.0) o EQ677 o TS10 (436.9) o EQ1193 o TS11 (432.2) o EQ1196 o TS12 (481.2) o EQ1197 o TS13 (439.8) o EQ1250 o TS14 (452.0) o EQ1250 o TS15 (737.3) o EQ1352 o TS16 (734.2) o EQ2486 o TS17 (739.6) o EQ2498 o UDC0 o
[ EQ1 ]
Cs ENERGY= 13.5 kJ/mol ( -269.3530231 Hartree) Energy+ZPE= 13.0 kJ/mol ZPE= 0.0978442 CONNECTIONS: o TS18 ( 17.6) o EQ1 o TS19 (392.6) o EQ81 o TS20 (377.2) o EQ177 o TS21 (318.7) o EQ272 o TS22 (302.9) o EQ274 o TS23 (373.7) o EQ368 o TS24 (465.7) o EQ432 o TS25 (442.9) o EQ1340 o TS26 (445.4) o EQ1351 o TS27 (428.4) o DDC0 o UDC1 o
[ EQ2 ]
C2v ENERGY= 21.7 kJ/mol ( -269.3499012 Hartree) Energy+ZPE= 19.5 kJ/mol ZPE= 0.0972094 CONNECTIONS: o TS28 (517.9) o EQ252 o TS29 (338.0) o EQ462 o TS30 (413.0) o EQ957 o TS31 (236.3) o DDC1
[ EQ3 ]
Cs ENERGY= 24.2 kJ/mol ( -269.3489711 Hartree) Energy+ZPE= 24.1 kJ/mol ZPE= 0.0980029 CONNECTIONS: o TS32 ( 28.2) o EQ3 o TS33 (412.9) o EQ23 o TS34 (386.2) o EQ56 o TS35 (376.6) o EQ173 o TS36 (415.6) o EQ249 o TS37 (318.3) o EQ315 o TS38 (332.8) o EQ343 o TS39 (492.9) o EQ1811 o TS40 (571.4) o EQ2107 o TS41 (587.2) o EQ2107 o TS42 (618.2) o EQ2218 o TS43 (713.0) o EQ2417 o TS44 (461.8) o DDC2 o UDC2 o
[ EQ4 ]
Cs ENERGY= 69.6 kJ/mol ( -269.3316633 Hartree) Energy+ZPE= 68.0 kJ/mol ZPE= 0.0974281 CONNECTIONS: o TS45 (437.2) o EQ4 o TS46 (536.9) o EQ5 o TS47 ( 89.1) o EQ6 o TS48 (207.7) o EQ7 o TS49 (421.9) o EQ46 o TS50 (425.6) o EQ46 o TS51 (409.7) o EQ296 o TS52 (382.2) o EQ512 o TS53 (389.9) o EQ664 o TS54 (472.2) o EQ778 o TS55 (455.0) o EQ830 o TS56 (420.8) o EQ856 o TS57 (421.2) o EQ950 o TS58 (415.6) o EQ1011 o TS59 (414.6) o EQ1033 o TS60 (439.9) o EQ1236 o TS61 (446.1) o EQ1380 o TS62 (447.9) o EQ1380 o TS63 (552.1) o EQ2002 o TS64 (575.0) o EQ2066 o TS65 (563.6) o EQ2089 o TS66 (624.8) o EQ2245
[ EQ5 ]
Cs ENERGY= 71.1 kJ/mol ( -269.3311042 Hartree) Energy+ZPE= 69.8 kJ/mol ZPE= 0.0975218 CONNECTIONS: o TS46 (536.9) o EQ4 o TS67 (205.0) o EQ6 o TS68 ( 91.4) o EQ7 o TS69 (370.1) o EQ383 o TS70 (333.5) o EQ491 o TS71 (376.7) o EQ559 o TS72 (542.8) o EQ561 o TS73 (381.8) o EQ664 o TS74 (475.7) o EQ1576 o TS75 (558.5) o EQ2002 o TS76 (551.6) o EQ2004 o TS77 (557.8) o EQ2066 o TS78 (574.1) o EQ2089
[ EQ6 ]
Cs ENERGY= 76.4 kJ/mol ( -269.3291004 Hartree) Energy+ZPE= 73.6 kJ/mol ZPE= 0.0969530 CONNECTIONS: o TS47 ( 89.1) o EQ4 o TS67 (205.0) o EQ5 o TS79 (365.6) o EQ445 o TS80 (465.3) o EQ559 o TS81 (397.5) o EQ708 o TS82 (413.4) o EQ932 o TS83 (422.0) o EQ953 o TS84 (440.5) o EQ1136 o TS85 (563.0) o EQ2004
[ EQ7 ]
Cs ENERGY= 78.0 kJ/mol ( -269.3284898 Hartree) Energy+ZPE= 75.7 kJ/mol ZPE= 0.0971747 CONNECTIONS: o TS48 (207.7) o EQ4 o TS68 ( 91.4) o EQ5 o TS86 (409.4) o EQ46 o TS87 (381.1) o EQ407 o TS88 (401.8) o EQ408 o TS89 (320.6) o EQ467 o TS90 (348.4) o EQ531 o TS91 (347.6) o EQ547 o TS92 (400.0) o EQ655 o TS93 (387.3) o EQ708 o TS94 (447.7) o EQ747 o TS95 (446.8) o EQ1033
[ EQ8 ]
Cs ENERGY= 78.6 kJ/mol ( -269.3282492 Hartree) Energy+ZPE= 71.4 kJ/mol ZPE= 0.0952892 CONNECTIONS: o TS96 (123.6) o EQ9 o TS97 (113.6) o EQ25 o TS98 (430.3) o EQ574 o TS99 (401.0) o EQ885 o TS100 (433.5) o EQ1219 o TS101 (450.3) o EQ1283 o TS102 (445.1) o EQ1294 o TS103 (741.3) o EQ2477 o TS104 (742.4) o EQ2488
[ EQ9 ]
Cs ENERGY= 83.0 kJ/mol ( -269.3265885 Hartree) Energy+ZPE= 76.1 kJ/mol ZPE= 0.0953916 CONNECTIONS: o TS96 (123.6) o EQ8 o TS105 (118.9) o EQ31 o TS106 (411.7) o EQ108 o TS107 (300.3) o EQ195 o TS108 (458.7) o EQ577 o TS109 (395.9) o EQ580 o TS110 (403.0) o EQ587 o TS111 (410.5) o EQ910 o TS112 (437.9) o EQ1260 o TS113 (455.3) o EQ1332 o TS114 (450.4) o EQ1356 o TS115 (748.7) o EQ2470 o TS116 (425.4) o DDC3
[ EQ10 ]
Cs ENERGY= 83.1 kJ/mol ( -269.3265386 Hartree) Energy+ZPE= 81.7 kJ/mol ZPE= 0.0974904 CONNECTIONS: o TS117 (459.8) o EQ240 o TS118 (461.6) o EQ402 o TS119 (396.5) o EQ597 o TS120 (392.0) o EQ710 o TS121 (508.0) o EQ832 o TS122 (450.4) o EQ1203 o TS123 (485.7) o EQ1571 o TS124 (519.9) o EQ1674 o TS125 (549.6) o EQ1933 o TS126 (681.2) o EQ2351 o TS127 (833.5) o EQ2403
[ EQ11 ]
Cs ENERGY= 83.4 kJ/mol ( -269.3264193 Hartree) Energy+ZPE= 74.2 kJ/mol ZPE= 0.0945454 CONNECTIONS: o TS128 ( 91.7) o EQ11 o TS129 (107.2) o EQ20 o TS130 (337.6) o EQ514 o TS131 (412.2) o EQ929 o TS132 (446.6) o EQ1371 o UDC3 o
[ EQ12 ]
Cs ENERGY= 83.8 kJ/mol ( -269.3262570 Hartree) Energy+ZPE= 74.5 kJ/mol ZPE= 0.0944947 CONNECTIONS: o TS133 ( 91.8) o EQ12 o TS134 (404.7) o EQ12 o TS135 (109.0) o EQ22 o TS136 (358.9) o EQ92 o TS137 (348.4) o EQ170 o TS138 (355.9) o EQ172 o TS139 (402.8) o EQ524 o TS140 (400.3) o EQ695 o TS141 (383.2) o EQ741 o TS142 (516.6) o EQ898 o TS143 (495.7) o EQ1040 o TS144 (457.4) o EQ1464 o TS145 (379.7) o DDC4
[ EQ13 ]
C2v ENERGY= 85.4 kJ/mol ( -269.3256413 Hartree) Energy+ZPE= 87.5 kJ/mol ZPE= 0.0988205 CONNECTIONS: o TS146 (530.3) o EQ37 o TS147 (479.3) o EQ64 o TS148 (481.4) o EQ348 o TS149 (378.0) o EQ425 o TS150 (523.8) o EQ518 o TS151 (451.2) o EQ683 o TS152 (410.8) o EQ777 o TS153 (393.8) o EQ789 o TS154 (433.5) o EQ1053 o TS155 (477.2) o EQ1210 o TS156 (455.4) o EQ1227 o TS157 (459.8) o EQ1526 o TS158 (498.8) o EQ1546 o TS159 (520.3) o EQ1624 o TS160 (647.4) o EQ1855 o TS161 (765.3) o EQ2519
[ EQ14 ]
Cs ENERGY= 85.5 kJ/mol ( -269.3256307 Hartree) Energy+ZPE= 80.2 kJ/mol ZPE= 0.0960288 CONNECTIONS: o TS162 ( 91.8) o EQ14 o TS163 (539.0) o EQ14 o TS164 (539.3) o EQ14 o TS165 (198.0) o EQ22 o TS166 (542.0) o EQ206 o TS167 (475.3) o EQ902 o TS168 (538.7) o EQ2050 o TS169 (700.9) o EQ2413 o TS170 (702.5) o EQ2419 o TS171 (703.6) o EQ2423 o TS172 (696.2) o EQ2431 o TS173 (699.8) o EQ2435 o TS174 (700.5) o EQ2435 o TS175 (702.7) o EQ2440 o TS176 (489.8) o DDC5 o TS177 (522.8) o DDC6 o TS178 (533.1) o DDC7 o TS179 (708.9) o DDC8
[ EQ15 ]
Cs ENERGY= 86.5 kJ/mol ( -269.3252278 Hartree) Energy+ZPE= 77.7 kJ/mol ZPE= 0.0946959 CONNECTIONS: o TS180 ( 89.5) o EQ15 o TS181 (108.1) o EQ26 o TS182 (389.4) o EQ133 o TS183 (340.4) o EQ521 o TS184 (395.9) o EQ537 o TS185 (408.7) o EQ942 o TS186 (502.3) o DDC9
[ EQ16 ]
Cs ENERGY= 88.0 kJ/mol ( -269.3246704 Hartree) Energy+ZPE= 81.8 kJ/mol ZPE= 0.0956897 CONNECTIONS: o TS187 (126.0) o EQ19 o TS188 (130.2) o EQ37 o TS189 (401.2) o EQ43 o TS190 (338.1) o EQ67 o TS191 (247.4) o EQ95 o TS192 (518.7) o EQ141 o TS193 (414.7) o EQ181 o TS194 (530.1) o EQ409 o TS195 (523.7) o EQ693 o TS196 (410.7) o EQ939 o TS197 (443.7) o EQ1284 o TS198 (449.7) o EQ1284 o TS199 (456.4) o EQ1284 o TS200 (440.1) o EQ1298 o TS201 (444.5) o EQ1346 o TS202 (500.1) o EQ1755 o TS203 (486.6) o EQ1790 o TS204 (745.7) o EQ2468
[ EQ17 ]
C2v ENERGY= 89.1 kJ/mol ( -269.3242452 Hartree) Energy+ZPE= 81.8 kJ/mol ZPE= 0.0952636 CONNECTIONS: o TS205 (118.0) o EQ24 o TS206 (307.4) o EQ138 o TS207 (437.3) o EQ1062 o TS208 (437.3) o EQ1172 o TS209 (458.4) o EQ1173 o TS210 (446.6) o EQ1316 o TS211 (637.3) o EQ1660
[ EQ18 ]
Cs ENERGY= 90.0 kJ/mol ( -269.3238954 Hartree) Energy+ZPE= 84.8 kJ/mol ZPE= 0.0960432 CONNECTIONS: o TS212 ( 92.6) o EQ18 o TS213 (206.1) o EQ34 o TS214 (380.2) o EQ395 o TS215 (395.1) o EQ463 o TS216 (460.5) o EQ770 o TS217 (423.2) o EQ902 o TS218 (576.2) o EQ1089 o UDC4 o
[ EQ19 ]
Cs ENERGY= 90.5 kJ/mol ( -269.3236999 Hartree) Energy+ZPE= 83.7 kJ/mol ZPE= 0.0954554 CONNECTIONS: o TS187 (126.0) o EQ16 o TS219 (119.5) o EQ36 o TS220 (438.6) o EQ577 o TS221 (443.0) o EQ854 o TS222 (445.7) o EQ1365 o TS223 (657.8) o DDC10
[ EQ20 ]
C1 ENERGY= 91.0 kJ/mol ( -269.3235210 Hartree) Energy+ZPE= 81.3 kJ/mol ZPE= 0.0943456 CONNECTIONS: o TS129 (107.2) o EQ11 o TS224 ( 99.6) o EQ20 o TS225 (212.0) o EQ38 o TS226 (310.1) o EQ273 o TS227 (398.9) o EQ385 o TS228 (431.8) o EQ527 o TS229 (340.4) o EQ529 o TS230 (345.8) o EQ546 o TS231 (409.4) o EQ649 o TS232 (372.2) o EQ666 o TS233 (399.5) o EQ667 o TS234 (409.8) o EQ889 o TS235 (528.4) o EQ1940 o TS236 (513.5) o DDC11 o UDC5 o
[ EQ21 ]
Cs ENERGY= 91.2 kJ/mol ( -269.3234657 Hartree) Energy+ZPE= 83.4 kJ/mol ZPE= 0.0950653 CONNECTIONS: o TS237 (100.8) o EQ21 o TS238 (120.7) o EQ34 o TS239 (354.0) o EQ533
[ EQ22 ]
C1 ENERGY= 91.6 kJ/mol ( -269.3232880 Hartree) Energy+ZPE= 81.7 kJ/mol ZPE= 0.0942738 CONNECTIONS: o TS135 (109.0) o EQ12 o TS165 (198.0) o EQ14 o TS240 (100.4) o EQ22 o TS241 (400.9) o EQ165 o TS242 (352.2) o EQ170 o TS243 (362.1) o EQ172 o TS244 (422.2) o EQ692 o TS245 (394.7) o EQ849 o TS246 (452.3) o EQ1307 o TS247 (458.0) o EQ1371 o TS248 (460.7) o EQ1412
[ EQ23 ]
Cs ENERGY= 91.8 kJ/mol ( -269.3232079 Hartree) Energy+ZPE= 90.8 kJ/mol ZPE= 0.0976430 CONNECTIONS: o TS33 (412.9) o EQ3 o TS249 (301.8) o EQ90 o TS250 (488.0) o EQ284 o TS251 (382.7) o EQ377 o TS252 (406.2) o EQ380 o TS253 (597.9) o EQ413 o TS254 (497.8) o EQ439 o TS255 (490.8) o EQ481 o TS256 (529.1) o EQ670 o TS257 (399.0) o EQ764 o TS258 (393.3) o EQ786 o TS259 (472.2) o EQ857 o TS260 (472.4) o EQ857 o TS261 (406.4) o EQ861 o TS262 (456.4) o EQ928 o TS263 (466.4) o EQ964 o TS264 (448.6) o EQ1330 o TS265 (524.4) o EQ1928 o TS266 (562.9) o EQ1945 o TS267 (544.6) o EQ2035 o UDC6 o
[ EQ24 ]
C1 ENERGY= 92.6 kJ/mol ( -269.3229188 Hartree) Energy+ZPE= 85.3 kJ/mol ZPE= 0.0952398 CONNECTIONS: o TS205 (118.0) o EQ17 o TS268 (114.2) o EQ33 o TS269 (410.2) o EQ415 o TS270 (445.3) o EQ504 o TS271 (452.4) o EQ542 o TS272 (450.2) o EQ1115 o TS273 (428.4) o EQ1124 o TS274 (434.8) o EQ1124 o TS275 (494.8) o EQ1124 o TS276 (439.9) o EQ1196
[ EQ25 ]
C1 ENERGY= 92.8 kJ/mol ( -269.3228238 Hartree) Energy+ZPE= 85.2 kJ/mol ZPE= 0.0951519 CONNECTIONS: o TS97 (113.6) o EQ8 o TS277 ( 93.1) o EQ25 o TS278 (137.5) o EQ31 o TS279 (137.9) o EQ31 o TS280 (479.0) o EQ75 o TS281 (430.8) o EQ624 o TS282 (447.8) o EQ920 o TS283 (409.5) o EQ943 o TS284 (440.5) o EQ1283 o TS285 (441.0) o EQ1294
[ EQ26 ]
C1 ENERGY= 93.8 kJ/mol ( -269.3224518 Hartree) Energy+ZPE= 84.7 kJ/mol ZPE= 0.0945837 CONNECTIONS: o TS181 (108.1) o EQ15 o TS286 ( 94.4) o EQ26 o TS287 ( 94.7) o EQ26 o TS288 (363.9) o EQ129 o TS289 (362.2) o EQ247 o TS290 (360.0) o EQ501 o TS291 (359.5) o EQ521 o TS292 (430.0) o EQ531 o TS293 (348.3) o EQ540 o TS294 (354.4) o EQ540 o TS295 (365.6) o EQ550 o TS296 (397.0) o EQ553 o TS297 (378.3) o EQ650 o TS298 (416.1) o EQ993 o TS299 (664.9) o EQ1242 o TS300 (373.3) o DDC12 o UDC7 o
[ EQ27 ]
Cs ENERGY= 94.8 kJ/mol ( -269.3220873 Hartree) Energy+ZPE= 87.8 kJ/mol ZPE= 0.0953583 CONNECTIONS: o TS301 (119.0) o EQ32 o TS302 (128.2) o EQ35 o TS303 (388.8) o EQ47 o TS304 (366.9) o EQ134 o TS305 (648.5) o EQ236 o TS306 (323.6) o EQ460 o TS307 (411.2) o EQ504 o TS308 (406.5) o EQ773 o TS309 (412.2) o EQ910 o TS310 (439.3) o EQ1228 o TS311 (469.5) o EQ1556 o TS312 (474.7) o EQ1556 o TS313 (483.6) o EQ1734 o TS314 (508.9) o EQ1734 o TS315 (517.1) o EQ1869 o TS316 (515.3) o EQ1913 o TS317 (472.8) o DDC13
[ EQ28 ]
Cs ENERGY= 94.8 kJ/mol ( -269.3220798 Hartree) Energy+ZPE= 92.6 kJ/mol ZPE= 0.0972097 CONNECTIONS: o TS318 (391.8) o EQ28 o TS319 (398.7) o EQ28 o TS320 (371.4) o EQ328 o TS321 (614.5) o EQ346 o TS322 (481.5) o EQ403 o TS323 (493.5) o EQ477 o TS324 (389.9) o EQ710 o TS325 (445.6) o EQ1002 o TS326 (468.1) o EQ1030 o TS327 (457.6) o EQ1077 o TS328 (444.2) o EQ1180 o TS329 (449.2) o EQ1227 o TS330 (477.4) o EQ1261 o TS331 (476.8) o EQ1546 o TS332 (469.0) o EQ1617 o TS333 (491.3) o EQ1624 o TS334 (502.5) o EQ1667 o TS335 (493.6) o EQ1816 o UDC8 o
[ EQ29 ]
C1 ENERGY= 94.8 kJ/mol ( -269.3220640 Hartree) Energy+ZPE= 96.3 kJ/mol ZPE= 0.0986216 CONNECTIONS: o TS336 ( 99.0) o EQ29 o TS337 (177.3) o EQ37 o TS338 (540.2) o EQ283 o TS339 (386.4) o EQ382 o TS340 (402.4) o EQ481 o TS341 (406.3) o EQ648 o TS342 (407.2) o EQ648 o TS343 (401.5) o EQ789 o TS344 (432.3) o EQ920 o TS345 (524.0) o EQ1978 o TS346 (530.2) o EQ1978 o TS347 (637.5) o EQ2029 o UDC9 o
[ EQ30 ]
Cs ENERGY= 96.6 kJ/mol ( -269.3213992 Hartree) Energy+ZPE= 91.3 kJ/mol ZPE= 0.0960110 CONNECTIONS: o TS348 (449.2) o EQ91 o TS349 (457.9) o EQ373 o TS350 (507.3) o EQ452 o TS351 (374.2) o EQ462 o TS352 (385.2) o EQ751 o TS353 (454.3) o EQ893 o TS354 (463.1) o EQ1471 o TS355 (365.6) o DDC14 o TS356 (536.0) o DDC15 o TS357 (545.4) o DDC16 o UDC10 o
[ EQ31 ]
C1 ENERGY= 98.0 kJ/mol ( -269.3208504 Hartree) Energy+ZPE= 90.6 kJ/mol ZPE= 0.0952177 CONNECTIONS: o TS105 (118.9) o EQ9 o TS278 (137.5) o EQ25 o TS279 (137.9) o EQ25 o TS358 ( 98.4) o EQ31 o TS359 (510.4) o EQ99 o TS360 (300.4) o EQ217 o TS361 (389.8) o EQ280 o TS362 (412.2) o EQ345 o TS363 (405.7) o EQ587 o TS364 (457.2) o EQ609 o TS365 (482.3) o EQ801 o TS366 (422.0) o EQ815 o TS367 (418.2) o EQ918 o TS368 (443.9) o EQ1332 o TS369 (445.5) o EQ1356 o TS370 (500.2) o EQ1413 o TS371 (423.4) o DDC17 o UDC11 o
[ EQ32 ]
C1 ENERGY= 98.6 kJ/mol ( -269.3206290 Hartree) Energy+ZPE= 90.5 kJ/mol ZPE= 0.0949416 CONNECTIONS: o TS301 (119.0) o EQ27 o TS372 ( 98.7) o EQ32 o TS373 (139.3) o EQ39 o TS374 (141.8) o EQ39 o TS375 (446.9) o EQ349 o TS376 (431.8) o EQ353 o TS377 (395.3) o EQ499 o TS378 (407.3) o EQ706 o TS379 (424.6) o EQ740 o TS380 (434.2) o EQ1215 o TS381 (459.9) o EQ1556 o TS382 (737.6) o EQ2490 o TS383 (521.6) o DDC18
[ EQ33 ]
C2 ENERGY= 99.6 kJ/mol ( -269.3202622 Hartree) Energy+ZPE= 92.4 kJ/mol ZPE= 0.0952986 CONNECTIONS: o TS0 (442.0) o EQ0 o TS268 (114.2) o EQ24 o TS384 (112.4) o EQ33 o TS385 (429.8) o EQ499 o TS386 (436.2) o EQ1193 o TS387 (444.7) o EQ1250
[ EQ34 ]
C1 ENERGY= 101.9 kJ/mol ( -269.3193787 Hartree) Energy+ZPE= 92.7 kJ/mol ZPE= 0.0945475 CONNECTIONS: o TS213 (206.1) o EQ18 o TS238 (120.7) o EQ21 o TS388 (102.0) o EQ34 o TS389 (107.3) o EQ34 o TS390 (309.5) o EQ260 o TS391 (341.5) o EQ484 o TS392 (347.7) o EQ515 o TS393 (378.8) o EQ576 o TS394 (370.6) o EQ595 o TS395 (495.7) o DDC19
[ EQ35 ]
C1 ENERGY= 105.4 kJ/mol ( -269.3180473 Hartree) Energy+ZPE= 97.1 kJ/mol ZPE= 0.0948825 CONNECTIONS: o TS302 (128.2) o EQ27 o TS396 (105.4) o EQ35 o TS397 (122.5) o EQ39 o TS398 (480.9) o EQ39 o TS399 (363.7) o EQ134 o TS400 (318.4) o EQ168 o TS401 (530.9) o EQ293 o TS402 (408.7) o EQ885 o TS403 (518.4) o EQ1022 o TS404 (493.9) o EQ1287 o TS405 (448.7) o EQ1422 o TS406 (453.2) o EQ1471 o TS407 (674.6) o EQ2380 o TS408 (677.6) o EQ2385 o TS409 (319.4) o DDC20
[ EQ36 ]
C1 ENERGY= 106.0 kJ/mol ( -269.3178066 Hartree) Energy+ZPE= 99.2 kJ/mol ZPE= 0.0954319 CONNECTIONS: o TS1 (467.7) o EQ0 o TS219 (119.5) o EQ19 o TS410 (116.0) o EQ36 o TS411 (138.1) o EQ37 o TS412 (410.8) o EQ44 o TS413 (309.3) o EQ64 o TS414 (378.4) o EQ192 o TS415 (439.9) o EQ609 o TS416 (408.7) o EQ987 o TS417 (453.2) o EQ1451 o TS418 (465.7) o EQ1451
[ EQ37 ]
C1 ENERGY= 107.7 kJ/mol ( -269.3171539 Hartree) Energy+ZPE= 102.1 kJ/mol ZPE= 0.0958910 CONNECTIONS: o TS146 (530.3) o EQ13 o TS188 (130.2) o EQ16 o TS337 (177.3) o EQ29 o TS411 (138.1) o EQ36 o TS419 (474.7) o EQ90 o TS420 (387.2) o EQ196 o TS421 (468.5) o EQ196 o TS422 (446.4) o EQ553 o TS423 (351.9) o EQ566 o TS424 (415.6) o EQ980 o TS425 (471.6) o EQ1005 o TS426 (460.4) o EQ1298 o TS427 (452.5) o EQ1387 o TS428 (461.2) o EQ1454 o TS429 (459.9) o EQ1529
[ EQ38 ]
C1 ENERGY= 108.7 kJ/mol ( -269.3167959 Hartree) Energy+ZPE= 104.2 kJ/mol ZPE= 0.0963040 CONNECTIONS: o TS225 (212.0) o EQ20 o TS430 (119.1) o EQ38 o TS431 (459.8) o EQ71 o TS432 (438.6) o EQ296 o TS433 (515.7) o EQ530 o TS434 (484.3) o EQ1039 o TS435 (385.5) o DDC21 o TS436 (583.2) o DDC22 o TS437 (596.4) o DDC23 o TS438 (646.8) o DDC24
[ EQ39 ]
C1 ENERGY= 108.7 kJ/mol ( -269.3167674 Hartree) Energy+ZPE= 100.0 kJ/mol ZPE= 0.0947107 CONNECTIONS: o TS373 (139.3) o EQ32 o TS374 (141.8) o EQ32 o TS397 (122.5) o EQ35 o TS398 (480.9) o EQ35 o TS439 (109.3) o EQ39 o TS440 (277.1) o EQ53 o TS441 (429.9) o EQ792 o TS442 (430.1) o EQ903 o TS443 (509.1) o EQ1076 o TS444 (474.1) o EQ1292
[ EQ40 ]
C2v ENERGY= 108.9 kJ/mol ( -269.3167135 Hartree) Energy+ZPE= 101.0 kJ/mol ZPE= 0.0950194 CONNECTIONS: o TS445 (400.5) o EQ40 o TS446 (475.8) o EQ206 o TS447 (391.5) o EQ377 o TS448 (498.3) o EQ687 o TS449 (501.2) o DDC25
[ EQ41 ]
Cs ENERGY= 110.4 kJ/mol ( -269.3161406 Hartree) Energy+ZPE= 109.2 kJ/mol ZPE= 0.0975935 CONNECTIONS: o TS450 (123.0) o EQ46 o TS451 (426.4) o EQ606 o TS452 (427.1) o EQ606 o TS453 (408.0) o EQ777 o TS454 (416.5) o EQ1029
[ EQ42 ]
C1 ENERGY= 112.6 kJ/mol ( -269.3152948 Hartree) Energy+ZPE= 101.0 kJ/mol ZPE= 0.0936300 CONNECTIONS: o TS455 (114.1) o EQ42 o TS456 (144.3) o EQ45 o TS457 (396.0) o EQ755 o TS458 (424.8) o EQ1006 o TS459 (462.5) o EQ1006 o TS460 (527.0) o DDC26
[ EQ43 ]
C1 ENERGY= 117.7 kJ/mol ( -269.3133659 Hartree) Energy+ZPE= 109.1 kJ/mol ZPE= 0.0947653 CONNECTIONS: o TS189 (401.2) o EQ16 o TS461 (131.7) o EQ44 o TS462 (127.3) o EQ47 o TS463 (127.2) o EQ48 o TS464 (128.3) o EQ48 o TS465 (404.0) o EQ134 o TS466 (460.0) o EQ636 o TS467 (399.6) o EQ885 o TS468 (400.2) o EQ894 o TS469 (430.0) o EQ931 o TS470 (424.7) o EQ944 o TS471 (456.8) o EQ1352 o TS472 (446.9) o EQ1389 o TS473 (447.3) o EQ1395 o TS474 (448.0) o EQ1416 o TS475 (455.4) o EQ1432 o TS476 (733.9) o EQ2479 o TS477 (733.3) o EQ2488
[ EQ44 ]
C1 ENERGY= 119.0 kJ/mol ( -269.3128643 Hartree) Energy+ZPE= 110.4 kJ/mol ZPE= 0.0947549 CONNECTIONS: o TS412 (410.8) o EQ36 o TS461 (131.7) o EQ43 o TS478 (130.1) o EQ44 o TS479 (130.8) o EQ44 o TS480 (454.0) o EQ44 o TS481 (130.0) o EQ47 o TS482 (129.3) o EQ48 o TS483 (354.1) o EQ175 o TS484 (425.0) o EQ365 o TS485 (445.1) o EQ575 o TS486 (404.1) o EQ943 o TS487 (409.9) o EQ980 o TS488 (410.6) o EQ1007 o TS489 (443.4) o EQ1352 o TS490 (449.1) o EQ1431 o TS491 (451.1) o EQ1434 o TS492 (461.5) o EQ1509 o TS493 (471.1) o EQ1535 o TS494 (614.4) o EQ1837 o TS495 (523.1) o EQ1867 o TS496 (514.6) o EQ1938 o TS497 (732.9) o EQ2481 o TS498 (760.3) o EQ2495 o TS499 (478.3) o DDC27 o TS500 (538.0) o DDC28
[ EQ45 ]
Cs ENERGY= 120.0 kJ/mol ( -269.3124745 Hartree) Energy+ZPE= 108.1 kJ/mol ZPE= 0.0934912 CONNECTIONS: o TS456 (144.3) o EQ42 o TS501 (123.5) o EQ45 o TS502 (299.1) o EQ89 o TS503 (280.3) o EQ103 o TS504 (419.3) o EQ174 o TS505 (541.1) o EQ268 o TS506 (253.7) o EQ272 o TS507 (382.6) o EQ484 o TS508 (444.3) o EQ848 o TS509 (655.6) o EQ1937 o UDC12 o
[ EQ46 ]
C1 ENERGY= 120.3 kJ/mol ( -269.3123523 Hartree) Energy+ZPE= 118.1 kJ/mol ZPE= 0.0972110 CONNECTIONS: o TS49 (421.9) o EQ4 o TS50 (425.6) o EQ4 o TS86 (409.4) o EQ7 o TS450 (123.0) o EQ41 o TS510 (124.6) o EQ46 o TS511 (446.7) o EQ442 o TS512 (623.8) o EQ567 o TS513 (436.5) o EQ626 o TS514 (436.7) o EQ626 o TS515 (451.0) o EQ777 o TS516 (481.9) o EQ990 o TS517 (417.3) o EQ1036 o TS518 (453.0) o EQ1474
[ EQ47 ]
C1 ENERGY= 120.4 kJ/mol ( -269.3123256 Hartree) Energy+ZPE= 111.7 kJ/mol ZPE= 0.0947197 CONNECTIONS: o TS303 (388.8) o EQ27 o TS462 (127.3) o EQ43 o TS481 (130.0) o EQ44 o TS519 (122.6) o EQ48 o TS520 (240.2) o EQ54 o TS521 (422.8) o EQ128 o TS522 (360.9) o EQ422 o TS523 (334.4) o EQ424 o TS524 (516.3) o EQ486 o TS525 (437.5) o EQ637 o TS526 (523.7) o EQ826 o TS527 (424.7) o EQ936 o TS528 (407.8) o EQ939 o TS529 (425.9) o EQ944 o TS530 (430.0) o EQ944 o TS531 (528.0) o EQ975 o TS532 (451.7) o EQ1437 o TS533 (453.0) o EQ1476 o TS534 (455.5) o EQ1509 o TS535 (726.7) o EQ2469 o TS536 (745.4) o EQ2483 o TS537 (737.1) o EQ2484 o TS538 (744.9) o EQ2487 o TS539 (420.8) o DDC29
[ EQ48 ]
C1 ENERGY= 121.0 kJ/mol ( -269.3120865 Hartree) Energy+ZPE= 112.2 kJ/mol ZPE= 0.0946993 CONNECTIONS: o TS463 (127.2) o EQ43 o TS464 (128.3) o EQ43 o TS482 (129.3) o EQ44 o TS519 (122.6) o EQ47 o TS540 (459.1) o EQ635 o TS541 (406.9) o EQ910 o TS542 (448.3) o EQ1410 o TS543 (449.5) o EQ1432 o TS544 (450.7) o EQ1434 o TS545 (452.0) o EQ1460 o TS546 (454.2) o EQ1476 o TS547 (442.1) o DDC30 o UDC13 o
[ EQ49 ]
Cs ENERGY= 123.5 kJ/mol ( -269.3111344 Hartree) Energy+ZPE= 112.7 kJ/mol ZPE= 0.0939122 CONNECTIONS: o TS548 (126.3) o EQ49 o TS549 (167.3) o EQ59 o TS550 (413.3) o EQ660 o TS551 (385.5) o EQ741 o TS552 (566.1) o EQ1064 o TS553 (443.3) o EQ1108 o TS554 (458.5) o EQ1108 o TS555 (531.5) o DDC31
[ EQ50 ]
Cs ENERGY= 124.3 kJ/mol ( -269.3108505 Hartree) Energy+ZPE= 114.7 kJ/mol ZPE= 0.0943761 CONNECTIONS: o TS556 (126.1) o EQ50 o TS557 (128.7) o EQ50 o TS558 (129.0) o EQ50 o TS559 (443.9) o EQ71 o UDC14 o
[ EQ51 ]
C1 ENERGY= 125.6 kJ/mol ( -269.3103487 Hartree) Energy+ZPE= 114.6 kJ/mol ZPE= 0.0938276 CONNECTIONS: o TS560 (129.1) o EQ51 o TS561 (353.3) o EQ463 o TS562 (533.8) o DDC32 o UDC15 o
[ EQ52 ]
C1 ENERGY= 126.7 kJ/mol ( -269.3099221 Hartree) Energy+ZPE= 117.0 kJ/mol ZPE= 0.0943251 CONNECTIONS: o TS563 (133.5) o EQ52 o TS564 (168.4) o EQ56 o TS565 (168.7) o EQ56 o TS566 (381.5) o EQ622 o TS567 (449.3) o EQ700 o TS568 (449.9) o EQ700 o TS569 (432.0) o EQ785 o TS570 (456.8) o EQ792 o TS571 (406.5) o EQ849 o TS572 (439.8) o EQ1157 o TS573 (443.6) o EQ1277 o TS574 (481.0) o EQ1277 o UDC16 o o UDC17 o
[ EQ53 ]
Cs ENERGY= 131.5 kJ/mol ( -269.3080935 Hartree) Energy+ZPE= 126.8 kJ/mol ZPE= 0.0962625 CONNECTIONS: o TS440 (277.1) o EQ39 o TS575 (481.6) o EQ55 o TS576 (167.1) o EQ57 o TS577 (472.1) o EQ123 o TS578 (400.2) o EQ668 o TS579 (386.0) o EQ691 o TS580 (433.7) o EQ1048 o TS581 (457.3) o EQ1050 o TS582 (479.4) o EQ1076 o TS583 (463.7) o EQ1246 o TS584 (457.1) o EQ1482 o TS585 (505.1) o EQ1795 o TS586 (665.1) o EQ2036 o TS587 (732.7) o EQ2474 o TS588 (731.7) o EQ2481 o TS589 (748.7) o EQ2488 o TS590 (739.2) o EQ2499 o TS591 (529.2) o DDC33 o UDC18 o
[ EQ54 ]
C1 ENERGY= 134.1 kJ/mol ( -269.3071256 Hartree) Energy+ZPE= 132.3 kJ/mol ZPE= 0.0973575 CONNECTIONS: o TS520 (240.2) o EQ47 o TS592 (499.0) o EQ54 o TS593 (494.2) o EQ135 o TS594 (537.3) o EQ525 o TS595 (407.9) o EQ917 o TS596 (406.0) o EQ931 o TS597 (479.6) o EQ1184 o TS598 (459.6) o EQ1193 o TS599 (566.7) o DDC34 o TS600 (599.9) o DDC35
[ EQ55 ]
Cs ENERGY= 136.5 kJ/mol ( -269.3062082 Hartree) Energy+ZPE= 133.7 kJ/mol ZPE= 0.0969580 CONNECTIONS: o TS2 (361.0) o EQ0 o TS575 (481.6) o EQ53 o TS601 (460.0) o EQ160 o TS602 (481.9) o EQ654 o TS603 (531.5) o DDC36 o TS604 (576.4) o DDC37 o TS605 (597.6) o DDC38
[ EQ56 ]
C1 ENERGY= 137.5 kJ/mol ( -269.3058129 Hartree) Energy+ZPE= 127.6 kJ/mol ZPE= 0.0942675 CONNECTIONS: o TS34 (386.2) o EQ3 o TS564 (168.4) o EQ52 o TS565 (168.7) o EQ52 o TS606 (144.1) o EQ56 o TS607 (405.2) o EQ67 o TS608 (305.9) o EQ85 o TS609 (306.7) o EQ156 o TS610 (371.9) o EQ587 o TS611 (465.3) o EQ740 o TS612 (472.1) o EQ783 o TS613 (397.7) o EQ824 o TS614 (437.6) o EQ1071 o TS615 (447.5) o EQ1181 o TS616 (490.8) o EQ1783
[ EQ57 ]
Cs ENERGY= 138.4 kJ/mol ( -269.3054660 Hartree) Energy+ZPE= 133.5 kJ/mol ZPE= 0.0961865 CONNECTIONS: o TS576 (167.1) o EQ53 o TS617 (394.9) o EQ61 o TS618 (404.4) o EQ534 o TS619 (477.0) o EQ1073 o TS620 (504.5) o EQ1807
[ EQ58 ]
C1 ENERGY= 139.3 kJ/mol ( -269.3051432 Hartree) Energy+ZPE= 133.6 kJ/mol ZPE= 0.0958656 CONNECTIONS: o TS3 (380.3) o EQ0 o TS621 (149.5) o EQ58 o TS622 (144.9) o EQ61 o TS623 (405.5) o EQ365 o TS624 (401.9) o EQ381 o TS625 (377.1) o EQ668 o TS626 (503.0) o EQ719 o TS627 (450.2) o EQ737 o TS628 (435.9) o EQ961 o TS629 (448.4) o EQ1023 o TS630 (441.0) o EQ1307 o TS631 (456.3) o EQ1307 o TS632 (466.3) o EQ1389 o TS633 (448.7) o EQ1412 o TS634 (448.3) o EQ1423 o TS635 (563.2) o EQ1498 o TS636 (455.3) o EQ1510 o TS637 (458.3) o EQ1530 o TS638 (626.5) o EQ2245 o TS639 (766.5) o EQ2506 o TS640 (438.9) o DDC39 o TS641 (594.7) o DDC40
[ EQ59 ]
Cs ENERGY= 140.8 kJ/mol ( -269.3045570 Hartree) Energy+ZPE= 129.0 kJ/mol ZPE= 0.0935485 CONNECTIONS: o TS549 (167.3) o EQ49 o TS642 (144.1) o EQ59 o TS643 (317.1) o EQ113 o TS644 (303.2) o EQ144 o TS645 (275.6) o EQ343 o TS646 (441.9) o EQ772 o TS647 (452.7) o EQ1078
[ EQ60 ]
Cs ENERGY= 141.2 kJ/mol ( -269.3044124 Hartree) Energy+ZPE= 132.5 kJ/mol ZPE= 0.0947151 CONNECTIONS: o TS648 (143.5) o EQ60 o TS649 (462.7) o EQ71 o UDC19 o
[ EQ61 ]
C1 ENERGY= 142.9 kJ/mol ( -269.3037552 Hartree) Energy+ZPE= 136.6 kJ/mol ZPE= 0.0956432 CONNECTIONS: o TS617 (394.9) o EQ57 o TS622 (144.9) o EQ58 o TS650 (444.9) o EQ1355 o TS651 (447.9) o EQ1371
[ EQ62 ]
Cs ENERGY= 143.4 kJ/mol ( -269.3035624 Hartree) Energy+ZPE= 135.0 kJ/mol ZPE= 0.0948237 CONNECTIONS: o TS652 (153.6) o EQ62 o TS653 (145.6) o EQ63 o TS654 (151.7) o EQ65 o TS655 (568.2) o EQ808
[ EQ63 ]
Cs ENERGY= 144.7 kJ/mol ( -269.3030705 Hartree) Energy+ZPE= 136.9 kJ/mol ZPE= 0.0950728 CONNECTIONS: o TS653 (145.6) o EQ62 o TS656 (152.7) o EQ66 o TS657 (558.8) o EQ352
[ EQ64 ]
C1 ENERGY= 146.0 kJ/mol ( -269.3025678 Hartree) Energy+ZPE= 146.4 kJ/mol ZPE= 0.0981941 CONNECTIONS: o TS147 (479.3) o EQ13 o TS413 (309.3) o EQ36 o TS658 (418.0) o EQ67 o TS659 (461.4) o EQ196 o TS660 (383.6) o EQ269 o TS661 (452.6) o EQ365 o TS662 (524.4) o EQ438 o TS663 (417.7) o EQ559 o TS664 (492.4) o EQ806 o TS665 (460.0) o EQ1160 o TS666 (462.0) o EQ1160 o TS667 (457.6) o EQ1178 o TS668 (451.9) o EQ1197 o TS669 (623.6) o EQ1305 o TS670 (517.0) o EQ1716 o TS671 (537.1) o EQ1891 o TS672 (540.4) o EQ1978 o TS673 (534.2) o EQ1989
[ EQ65 ]
C1 ENERGY= 146.3 kJ/mol ( -269.3024581 Hartree) Energy+ZPE= 138.1 kJ/mol ZPE= 0.0948940 CONNECTIONS: o TS654 (151.7) o EQ62 o TS674 (151.2) o EQ65 o TS675 (158.5) o EQ65 o TS676 (148.1) o EQ66 o TS677 (560.1) o EQ645 o UDC20 o
[ EQ66 ]
C1 ENERGY= 146.8 kJ/mol ( -269.3022875 Hartree) Energy+ZPE= 139.4 kJ/mol ZPE= 0.0952194 CONNECTIONS: o TS656 (152.7) o EQ63 o TS676 (148.1) o EQ65 o TS678 (151.9) o EQ66 o TS679 (159.0) o EQ66 o TS680 (495.2) o DDC41
[ EQ67 ]
C1 ENERGY= 150.0 kJ/mol ( -269.3010414 Hartree) Energy+ZPE= 151.1 kJ/mol ZPE= 0.0984496 CONNECTIONS: o TS190 (338.1) o EQ16 o TS607 (405.2) o EQ56 o TS658 (418.0) o EQ64 o TS681 (266.4) o EQ67 o TS682 (407.2) o EQ269 o TS683 (396.2) o EQ368 o TS684 (412.0) o EQ425 o TS685 (422.6) o EQ468 o TS686 (426.1) o EQ468 o TS687 (441.4) o EQ940 o TS688 (431.1) o EQ1000 o TS689 (444.4) o EQ1000 o TS690 (428.1) o EQ1075 o TS691 (428.7) o EQ1075 o TS692 (430.4) o EQ1103 o TS693 (424.8) o EQ1140 o TS694 (432.0) o EQ1180 o TS695 (445.7) o EQ1187 o TS696 (433.9) o EQ1227 o TS697 (482.2) o EQ1261 o TS698 (447.7) o EQ1284 o TS699 (492.3) o EQ1785 o TS700 (512.2) o EQ1785 o TS701 (580.4) o EQ2145 o TS8244 (438.3) o xx
[ EQ68 ]
C1 ENERGY= 155.3 kJ/mol ( -269.2990266 Hartree) Energy+ZPE= 150.0 kJ/mol ZPE= 0.0959981 CONNECTIONS: o TS702 (499.5) o EQ68 o TS703 (165.0) o EQ74 o TS704 (164.9) o EQ79 o TS705 (461.4) o EQ252 o TS706 (601.8) o EQ555 o TS707 (478.3) o EQ1073 o TS708 (474.0) o EQ1171 o TS709 (432.7) o EQ1184 o TS710 (442.5) o EQ1184 o TS711 (449.0) o EQ1188 o TS712 (488.5) o EQ1331 o TS713 (457.4) o EQ1526 o TS714 (490.8) o EQ1795 o TS715 (734.2) o EQ2484 o TS716 (558.1) o DDC42
[ EQ69 ]
C1 ENERGY= 155.6 kJ/mol ( -269.2989069 Hartree) Energy+ZPE= 143.3 kJ/mol ZPE= 0.0933596 CONNECTIONS: o TS717 (156.0) o EQ69 o TS718 (159.4) o EQ69 o TS719 (164.6) o EQ81 o TS720 (427.4) o EQ89 o TS721 (499.9) o EQ305 o TS722 (556.1) o EQ351 o TS723 (565.4) o EQ364 o TS724 (353.8) o EQ569 o TS725 (354.5) o EQ584 o TS726 (411.3) o EQ584 o TS727 (355.9) o EQ589 o TS728 (461.2) o EQ1242 o TS729 (416.2) o DDC43 o TS730 (617.4) o DDC44 o UDC21 o
[ EQ70 ]
C1 ENERGY= 156.1 kJ/mol ( -269.2987305 Hartree) Energy+ZPE= 144.7 kJ/mol ZPE= 0.0936925 CONNECTIONS: o TS731 (156.1) o EQ70 o TS732 (156.6) o EQ70 o TS733 (420.6) o EQ647 o TS734 (425.7) o EQ685
[ EQ71 ]
C1 ENERGY= 156.7 kJ/mol ( -269.2984914 Hartree) Energy+ZPE= 150.5 kJ/mol ZPE= 0.0956905 CONNECTIONS: o TS431 (459.8) o EQ38 o TS559 (443.9) o EQ50 o TS649 (462.7) o EQ60 o TS735 (168.7) o EQ71 o TS736 (352.9) o EQ147 o TS737 (376.0) o EQ147 o TS738 (617.3) o DDC45
[ EQ72 ]
C2v ENERGY= 158.2 kJ/mol ( -269.2979205 Hartree) Energy+ZPE= 152.0 kJ/mol ZPE= 0.0956791 CONNECTIONS: o TS739 (453.7) o EQ72 o TS740 (536.2) o EQ474 o TS741 (537.8) o EQ474 o TS742 (501.1) o EQ1816 o TS743 (589.6) o DDC46
[ EQ73 ]
C1 ENERGY= 158.5 kJ/mol ( -269.2978290 Hartree) Energy+ZPE= 146.6 kJ/mol ZPE= 0.0934977 CONNECTIONS: o TS744 (159.8) o EQ73 o TS745 (169.4) o EQ73 o TS746 (164.6) o EQ80 o TS747 (170.2) o EQ84 o TS748 (356.4) o EQ582 o TS749 (475.6) o EQ648 o TS750 (575.9) o EQ657 o TS751 (450.7) o EQ984 o TS752 (454.2) o EQ1037 o TS753 (453.4) o EQ1060 o TS754 (444.9) o EQ1082 o TS755 (455.6) o EQ1514 o TS756 (677.0) o EQ1697 o TS757 (557.0) o EQ1739 o TS758 (558.5) o EQ1837
[ EQ74 ]
C1 ENERGY= 158.5 kJ/mol ( -269.2978243 Hartree) Energy+ZPE= 152.8 kJ/mol ZPE= 0.0958788 CONNECTIONS: o TS703 (165.0) o EQ68 o TS759 (164.2) o EQ79 o TS760 (409.6) o EQ196 o TS761 (449.3) o EQ438 o TS762 (449.6) o EQ438 o TS763 (462.0) o EQ1050 o TS764 (475.6) o EQ1128 o TS765 (502.1) o EQ1186 o TS766 (505.0) o EQ1186 o TS767 (475.3) o EQ1223 o TS768 (466.7) o EQ1246 o TS769 (440.0) o EQ1296 o TS770 (503.2) o EQ1807 o TS771 (506.3) o EQ1807 o TS772 (560.1) o DDC47
[ EQ75 ]
Cs ENERGY= 158.6 kJ/mol ( -269.2977854 Hartree) Energy+ZPE= 151.1 kJ/mol ZPE= 0.0951957 CONNECTIONS: o TS280 (479.0) o EQ25 o TS773 (457.9) o EQ75 o TS774 (200.6) o EQ90 o TS775 (415.1) o EQ849 o TS776 (492.3) o EQ1016 o TS777 (440.9) o EQ1073 o TS778 (499.7) o EQ1076
[ EQ76 ]
C1 ENERGY= 159.0 kJ/mol ( -269.2976270 Hartree) Energy+ZPE= 147.8 kJ/mol ZPE= 0.0937782 CONNECTIONS: o TS779 (408.2) o EQ647 o TS780 (421.7) o EQ652 o TS781 (476.6) o EQ852 o TS782 (451.0) o EQ1127 o TS783 (677.9) o EQ1747 o TS784 (660.3) o EQ2345 o TS785 (585.2) o DDC48 o TS8245 (167.7) o xx o UDC22 o
[ EQ77 ]
C1 ENERGY= 159.2 kJ/mol ( -269.2975509 Hartree) Energy+ZPE= 150.6 kJ/mol ZPE= 0.0947549 CONNECTIONS: o TS786 (171.8) o EQ77 o TS787 (159.9) o EQ78 o TS788 (388.7) o EQ578 o TS789 (388.7) o EQ578 o TS790 (398.6) o EQ578 o TS791 (601.1) o EQ2228 o TS792 (699.6) o EQ2438 o UDC23 o
[ EQ78 ]
C1 ENERGY= 159.3 kJ/mol ( -269.2974988 Hartree) Energy+ZPE= 150.8 kJ/mol ZPE= 0.0947794 CONNECTIONS: o TS787 (159.9) o EQ77 o TS793 (172.0) o EQ78 o TS794 (389.4) o EQ596 o TS795 (415.3) o EQ656 o TS796 (601.2) o EQ2227 o UDC24 o
[ EQ79 ]
C1 ENERGY= 159.7 kJ/mol ( -269.2973579 Hartree) Energy+ZPE= 154.1 kJ/mol ZPE= 0.0958838 CONNECTIONS: o TS704 (164.9) o EQ68 o TS759 (164.2) o EQ74 o TS797 (512.1) o EQ670 o TS798 (442.3) o EQ1138 o TS799 (511.8) o EQ1807 o TS800 (563.3) o EQ1855 o UDC25 o
[ EQ80 ]
C1 ENERGY= 160.1 kJ/mol ( -269.2971963 Hartree) Energy+ZPE= 148.9 kJ/mol ZPE= 0.0937613 CONNECTIONS: o TS746 (164.6) o EQ73 o TS801 (163.9) o EQ84 o TS802 (166.2) o EQ86 o TS803 (451.4) o EQ892 o TS804 (454.1) o EQ1074 o TS805 (465.2) o EQ1497 o TS806 (465.4) o EQ1499 o TS807 (469.2) o EQ1532 o TS808 (564.1) o DDC49
[ EQ81 ]
C1 ENERGY= 160.5 kJ/mol ( -269.2970523 Hartree) Energy+ZPE= 147.4 kJ/mol ZPE= 0.0930642 CONNECTIONS: o TS19 (392.6) o EQ1 o TS719 (164.6) o EQ69 o TS809 (162.4) o EQ81 o TS810 (512.2) o EQ322 o TS811 (563.0) o EQ362 o TS812 (425.7) o EQ473 o TS813 (356.5) o EQ488 o TS814 (343.1) o EQ538 o TS815 (410.3) o EQ569 o TS816 (465.6) o EQ1111 o TS817 (457.6) o EQ1242
[ EQ82 ]
Cs ENERGY= 160.6 kJ/mol ( -269.2970091 Hartree) Energy+ZPE= 150.0 kJ/mol ZPE= 0.0939985 CONNECTIONS: o TS818 (169.1) o EQ82 o TS819 (168.0) o EQ87 o TS820 (555.8) o EQ258 o TS821 (353.9) o EQ548 o TS822 (597.6) o EQ1823 o TS8246 (347.8) o xx o UDC26 o
[ EQ83 ]
Cs ENERGY= 161.8 kJ/mol ( -269.2965394 Hartree) Energy+ZPE= 157.9 kJ/mol ZPE= 0.0965420 CONNECTIONS: o TS823 (551.8) o EQ83 o TS824 (186.9) o EQ88 o TS825 (482.8) o EQ241 o TS826 (541.6) o EQ296 o TS827 (513.9) o EQ825 o TS828 (532.1) o EQ891 o TS829 (541.3) o EQ1553 o TS830 (591.3) o EQ1553 o TS831 (542.6) o EQ1994 o TS832 (596.7) o EQ2190 o TS833 (643.8) o EQ2340
[ EQ84 ]
C1 ENERGY= 162.3 kJ/mol ( -269.2963552 Hartree) Energy+ZPE= 150.6 kJ/mol ZPE= 0.0935942 CONNECTIONS: o TS747 (170.2) o EQ73 o TS801 (163.9) o EQ80 o TS834 (166.1) o EQ86 o TS835 (437.1) o EQ773 o TS836 (453.9) o EQ1058 o TS837 (456.0) o EQ1058 o TS838 (466.3) o EQ1483 o TS839 (484.0) o DDC50
[ EQ85 ]
Cs ENERGY= 162.4 kJ/mol ( -269.2963153 Hartree) Energy+ZPE= 155.4 kJ/mol ZPE= 0.0953562 CONNECTIONS: o TS608 (305.9) o EQ56 o TS840 (162.7) o EQ85 o TS841 (199.3) o EQ112 o TS842 (356.0) o EQ580 o TS843 (383.3) o EQ653 o TS844 (427.5) o EQ653 o TS845 (451.1) o EQ1226 o TS846 (569.5) o EQ2074
[ EQ86 ]
C1 ENERGY= 164.0 kJ/mol ( -269.2957184 Hartree) Energy+ZPE= 152.3 kJ/mol ZPE= 0.0935705 CONNECTIONS: o TS802 (166.2) o EQ80 o TS834 (166.1) o EQ84 o TS847 (166.1) o EQ86 o TS848 (430.3) o EQ124 o TS849 (354.0) o EQ314 o TS850 (511.6) o EQ657 o TS851 (415.3) o EQ1000 o TS852 (468.2) o EQ1425 o TS853 (465.8) o EQ1522 o TS854 (679.3) o EQ2363 o TS855 (507.5) o DDC51
[ EQ87 ]
C1 ENERGY= 165.7 kJ/mol ( -269.2950701 Hartree) Energy+ZPE= 155.7 kJ/mol ZPE= 0.0942351 CONNECTIONS: o TS819 (168.0) o EQ82 o TS856 (169.5) o EQ87 o TS857 (177.4) o EQ87 o TS858 (544.5) o EQ308 o TS859 (352.7) o EQ503 o TS860 (386.2) o EQ503 o TS861 (386.1) o EQ510 o TS862 (555.6) o EQ1732 o TS863 (690.9) o EQ2386
[ EQ88 ]
Cs ENERGY= 165.8 kJ/mol ( -269.2950294 Hartree) Energy+ZPE= 161.2 kJ/mol ZPE= 0.0962949 CONNECTIONS: o TS824 (186.9) o EQ83 o TS864 (544.6) o EQ286 o TS865 (595.2) o EQ571 o TS866 (503.4) o EQ725 o TS867 (452.8) o EQ728 o TS868 (463.2) o EQ795 o TS869 (498.0) o EQ1524 o TS870 (549.6) o EQ1613 o TS871 (658.5) o EQ1779
[ EQ89 ]
Cs ENERGY= 166.3 kJ/mol ( -269.2948542 Hartree) Energy+ZPE= 156.9 kJ/mol ZPE= 0.0944381 CONNECTIONS: o TS502 (299.1) o EQ45 o TS720 (427.4) o EQ69 o TS872 (173.9) o EQ89 o TS873 (424.8) o EQ104 o TS874 (206.5) o EQ125 o TS875 (402.4) o EQ614 o TS876 (373.1) o EQ665 o TS877 (470.2) o EQ1604 o TS878 (752.5) o EQ2513 o TS879 (543.2) o DDC52
[ EQ90 ]
Cs ENERGY= 166.7 kJ/mol ( -269.2947024 Hartree) Energy+ZPE= 158.8 kJ/mol ZPE= 0.0950297 CONNECTIONS: o TS249 (301.8) o EQ23 o TS419 (474.7) o EQ37 o TS774 (200.6) o EQ75 o TS880 (374.3) o EQ287 o TS881 (407.5) o EQ824 o TS882 (604.3) o DDC53
[ EQ91 ]
Cs ENERGY= 170.4 kJ/mol ( -269.2932668 Hartree) Energy+ZPE= 166.3 kJ/mol ZPE= 0.0964560 CONNECTIONS: o TS348 (449.2) o EQ30 o TS883 (544.9) o EQ91 o TS884 (188.7) o EQ94 o TS885 (577.4) o EQ563 o TS886 (454.3) o EQ720 o TS887 (563.3) o EQ1595 o TS888 (607.4) o EQ2236 o TS889 (615.2) o EQ2236 o TS890 (553.3) o DDC54 o TS891 (556.0) o DDC55
[ EQ92 ]
C1 ENERGY= 171.9 kJ/mol ( -269.2927184 Hartree) Energy+ZPE= 163.3 kJ/mol ZPE= 0.0947496 CONNECTIONS: o TS136 (358.9) o EQ12 o TS892 (351.4) o EQ92 o TS893 (196.6) o EQ99 o TS894 (196.9) o EQ99 o TS895 (623.1) o EQ204 o TS896 (588.0) o EQ528 o TS897 (443.7) o EQ1073 o TS898 (429.3) o EQ1087 o TS899 (461.8) o EQ1087 o TS900 (456.6) o EQ1171 o TS901 (463.7) o EQ1171 o TS902 (502.4) o EQ1188 o TS903 (556.3) o EQ1518
[ EQ93 ]
C1 ENERGY= 172.4 kJ/mol ( -269.2925063 Hartree) Energy+ZPE= 164.5 kJ/mol ZPE= 0.0950320 CONNECTIONS: o TS904 (183.2) o EQ93 o TS905 (177.3) o EQ96 o TS906 (317.6) o EQ381 o TS907 (505.2) o DDC56 o UDC27 o
[ EQ94 ]
Cs ENERGY= 172.9 kJ/mol ( -269.2923477 Hartree) Energy+ZPE= 167.9 kJ/mol ZPE= 0.0961378 CONNECTIONS: o TS884 (188.7) o EQ91 o TS908 (450.0) o EQ728 o TS909 (429.0) o EQ795 o TS910 (563.3) o EQ1677 o TS911 (602.6) o EQ2190 o UDC28 o
[ EQ95 ]
Cs ENERGY= 173.2 kJ/mol ( -269.2922069 Hartree) Energy+ZPE= 165.9 kJ/mol ZPE= 0.0952382 CONNECTIONS: o TS191 (247.4) o EQ16 o TS912 (200.0) o EQ108 o TS913 (210.3) o EQ141 o TS914 (476.1) o EQ736 o TS915 (516.6) o EQ1579 o TS916 (489.7) o EQ1680 o TS917 (544.4) o EQ1994
[ EQ96 ]
C1 ENERGY= 174.2 kJ/mol ( -269.2918285 Hartree) Energy+ZPE= 166.7 kJ/mol ZPE= 0.0951913 CONNECTIONS: o TS905 (177.3) o EQ93 o TS918 (175.8) o EQ96 o TS919 (186.4) o EQ96 o TS920 (606.1) o EQ571
[ EQ97 ]
Cs ENERGY= 174.7 kJ/mol ( -269.2916561 Hartree) Energy+ZPE= 164.5 kJ/mol ZPE= 0.0941668 CONNECTIONS: o TS921 (480.9) o EQ97 o TS922 (197.3) o EQ102 o TS923 (205.4) o EQ130 o TS924 (534.8) o EQ361 o TS925 (483.5) o EQ720 o TS926 (495.8) o EQ1776
[ EQ98 ]
C1 ENERGY= 175.2 kJ/mol ( -269.2914552 Hartree) Energy+ZPE= 167.1 kJ/mol ZPE= 0.0949407 CONNECTIONS: o TS927 (199.2) o EQ106 o TS928 (400.3) o EQ746 o TS929 (458.8) o EQ1200 o TS930 (511.6) o DDC57
[ EQ99 ]
C1 ENERGY= 175.5 kJ/mol ( -269.2913311 Hartree) Energy+ZPE= 166.9 kJ/mol ZPE= 0.0947477 CONNECTIONS: o TS359 (510.4) o EQ31 o TS893 (196.6) o EQ92 o TS894 (196.9) o EQ92 o TS931 (376.1) o EQ187 o TS932 (433.6) o EQ379 o TS933 (545.7) o EQ520 o TS934 (546.9) o EQ670 o TS935 (387.7) o EQ786 o TS936 (439.8) o EQ1050 o TS937 (456.3) o EQ1050 o TS938 (445.0) o EQ1087 o TS939 (470.5) o EQ1087 o TS940 (469.4) o EQ1128 o TS941 (492.0) o EQ1138 o TS942 (455.2) o EQ1176 o TS943 (469.9) o EQ1176 o TS944 (705.0) o EQ1946 o TS945 (468.1) o DDC58
[ EQ100 ]
Cs ENERGY= 175.6 kJ/mol ( -269.2912931 Hartree) Energy+ZPE= 170.1 kJ/mol ZPE= 0.0959528 CONNECTIONS: o TS946 (445.4) o EQ100 o TS947 (451.7) o EQ100 o TS948 (483.7) o EQ710 o TS949 (521.1) o EQ965 o TS950 (523.3) o EQ1844 o TS951 (528.0) o EQ1928 o TS952 (526.5) o EQ1933 o TS953 (571.8) o EQ2035 o UDC29 o
[ EQ101 ]
Cs ENERGY= 178.0 kJ/mol ( -269.2904057 Hartree) Energy+ZPE= 167.3 kJ/mol ZPE= 0.0939548 CONNECTIONS: o TS954 (187.9) o EQ111 o TS955 (189.4) o EQ120 o TS956 (384.2) o EQ676 o TS957 (446.5) o EQ686 o TS958 (376.1) o EQ697 o TS959 (387.5) o EQ767 o TS960 (501.9) o EQ984 o TS961 (623.9) o DDC59
[ EQ102 ]
Cs ENERGY= 178.5 kJ/mol ( -269.2902090 Hartree) Energy+ZPE= 168.4 kJ/mol ZPE= 0.0941745 CONNECTIONS: o TS922 (197.3) o EQ97 o TS962 (430.0) o EQ102 o TS963 (204.8) o EQ115 o TS964 (559.3) o EQ124 o TS965 (482.3) o EQ338 o TS966 (492.7) o EQ1700 o TS967 (501.5) o EQ1700
[ EQ103 ]
Cs ENERGY= 179.0 kJ/mol ( -269.2900169 Hartree) Energy+ZPE= 171.1 kJ/mol ZPE= 0.0950246 CONNECTIONS: o TS503 (280.3) o EQ45 o TS968 (184.8) o EQ103 o TS969 (424.5) o EQ770 o TS970 (474.6) o EQ1306 o TS971 (620.6) o DDC60 o UDC30 o
[ EQ104 ]
Cs ENERGY= 179.1 kJ/mol ( -269.2899695 Hartree) Energy+ZPE= 169.4 kJ/mol ZPE= 0.0943334 CONNECTIONS: o TS873 (424.8) o EQ89 o TS972 (184.5) o EQ104 o TS973 (381.1) o EQ104 o TS974 (205.1) o EQ117 o TS975 (419.4) o EQ724 o TS976 (472.2) o EQ1574 o TS977 (530.9) o DDC61 o TS978 (646.4) o DDC62
[ EQ105 ]
Cs ENERGY= 179.8 kJ/mol ( -269.2897036 Hartree) Energy+ZPE= 170.9 kJ/mol ZPE= 0.0946610 CONNECTIONS: o TS979 (201.8) o EQ121 o TS980 (208.3) o EQ124 o TS981 (470.3) o EQ888 o TS982 (482.5) o EQ1600 o TS983 (492.2) o EQ1813 o TS984 (507.5) o EQ1813
[ EQ106 ]
C1 ENERGY= 181.8 kJ/mol ( -269.2889499 Hartree) Energy+ZPE= 172.6 kJ/mol ZPE= 0.0945156 CONNECTIONS: o TS927 (199.2) o EQ98 o TS985 (181.8) o EQ106 o TS986 (472.5) o EQ780 o TS987 (406.3) o EQ787 o TS988 (453.5) o EQ901 o UDC31 o
[ EQ107 ]
C1 ENERGY= 181.9 kJ/mol ( -269.2888921 Hartree) Energy+ZPE= 176.5 kJ/mol ZPE= 0.0959861 CONNECTIONS: o TS989 (188.5) o EQ107 o TS990 (289.0) o EQ107 o TS991 (408.8) o EQ889 o TS992 (417.8) o EQ942 o TS993 (502.2) o DDC63
[ EQ108 ]
Cs ENERGY= 182.5 kJ/mol ( -269.2886664 Hartree) Energy+ZPE= 173.6 kJ/mol ZPE= 0.0946282 CONNECTIONS: o TS106 (411.7) o EQ9 o TS912 (200.0) o EQ95 o TS994 (198.2) o EQ114 o TS995 (471.5) o EQ1005
[ EQ109 ]
C1 ENERGY= 182.8 kJ/mol ( -269.2885654 Hartree) Energy+ZPE= 172.5 kJ/mol ZPE= 0.0941258 CONNECTIONS: o TS996 (497.7) o EQ109 o TS997 (202.7) o EQ116 o TS998 (403.1) o EQ850 o TS999 (453.6) o EQ912 o TS1000 (584.3) o EQ2074
[ EQ110 ]
C1 ENERGY= 183.3 kJ/mol ( -269.2883540 Hartree) Energy+ZPE= 171.8 kJ/mol ZPE= 0.0936706 CONNECTIONS: o TS1001 (193.4) o EQ110 o TS1002 (186.9) o EQ118 o TS1003 (196.6) o EQ126 o TS1004 (448.0) o EQ699 o TS1005 (380.9) o EQ716 o TS1006 (429.4) o EQ716 o TS1007 (383.0) o EQ735 o TS1008 (448.8) o EQ783 o TS1009 (579.7) o EQ1138 o TS1010 (478.4) o EQ1448 o TS1011 (354.8) o DDC64
[ EQ111 ]
C1 ENERGY= 183.5 kJ/mol ( -269.2883078 Hartree) Energy+ZPE= 173.0 kJ/mol ZPE= 0.0940280 CONNECTIONS: o TS954 (187.9) o EQ101 o TS1012 (189.8) o EQ119 o TS1013 (198.1) o EQ122 o TS1014 (476.5) o EQ314 o TS1015 (568.8) o EQ436 o TS1016 (372.9) o EQ676 o TS1017 (387.3) o EQ677 o TS1018 (380.6) o EQ686 o TS1019 (739.4) o EQ936 o TS1020 (443.2) o EQ1178 o TS1021 (1095.4) o EQ2440 o TS1022 (751.7) o EQ2463 o TS1023 (737.6) o EQ2472 o TS1024 (734.8) o EQ2486 o TS1025 (739.6) o EQ2493 o TS1026 (739.7) o EQ2494 o TS1027 (740.6) o EQ2495 o TS1028 (746.0) o EQ2495 o TS1029 (738.3) o EQ2498
[ EQ112 ]
C1 ENERGY= 184.1 kJ/mol ( -269.2880691 Hartree) Energy+ZPE= 175.6 kJ/mol ZPE= 0.0948114 CONNECTIONS: o TS841 (199.3) o EQ85 o TS1030 (452.1) o EQ874 o TS1031 (407.5) o EQ949 o TS1032 (467.5) o EQ1295 o TS1033 (589.1) o EQ2074 o UDC32 o
[ EQ113 ]
Cs ENERGY= 184.6 kJ/mol ( -269.2878717 Hartree) Energy+ZPE= 175.8 kJ/mol ZPE= 0.0946973 CONNECTIONS: o TS643 (317.1) o EQ59 o TS1034 (192.8) o EQ113 o TS1035 (219.9) o EQ157 o TS1036 (414.1) o EQ723 o TS1037 (390.1) o EQ771 o TS1038 (487.6) o EQ872 o TS1039 (499.5) o EQ1625 o TS1040 (608.3) o DDC65
[ EQ114 ]
Cs ENERGY= 184.8 kJ/mol ( -269.2877984 Hartree) Energy+ZPE= 175.4 kJ/mol ZPE= 0.0944375 CONNECTIONS: o TS994 (198.2) o EQ108 o TS1041 (216.0) o EQ141 o TS1042 (472.7) o EQ1018
[ EQ115 ]
Cs ENERGY= 184.9 kJ/mol ( -269.2877470 Hartree) Energy+ZPE= 174.0 kJ/mol ZPE= 0.0938989 CONNECTIONS: o TS963 (204.8) o EQ102 o TS1043 (427.5) o EQ115 o TS1044 (396.9) o EQ117 o TS1045 (205.6) o EQ130 o TS1046 (640.2) o EQ356 o TS1047 (383.4) o EQ407 o TS1048 (488.8) o EQ1679 o TS1049 (509.7) o EQ1679
[ EQ116 ]
C1 ENERGY= 185.1 kJ/mol ( -269.2876842 Hartree) Energy+ZPE= 175.5 kJ/mol ZPE= 0.0943623 CONNECTIONS: o TS997 (202.7) o EQ109 o TS1050 (185.2) o EQ116 o TS1051 (488.8) o EQ169 o TS1052 (530.7) o EQ304 o TS1053 (415.3) o EQ831 o TS1054 (448.3) o EQ831 o TS1055 (458.4) o EQ855 o TS1056 (484.1) o EQ876 o TS1057 (600.1) o DDC66 o UDC33 o
[ EQ117 ]
Cs ENERGY= 186.1 kJ/mol ( -269.2872853 Hartree) Energy+ZPE= 175.4 kJ/mol ZPE= 0.0939489 CONNECTIONS: o TS974 (205.1) o EQ104 o TS1044 (396.9) o EQ115 o TS1058 (193.9) o EQ117 o TS1059 (539.6) o EQ320 o TS1060 (397.8) o EQ793 o TS1061 (543.4) o EQ1046
[ EQ118 ]
C1 ENERGY= 186.4 kJ/mol ( -269.2871915 Hartree) Energy+ZPE= 174.9 kJ/mol ZPE= 0.0936632 CONNECTIONS: o TS1002 (186.9) o EQ110 o TS1062 (199.5) o EQ118 o TS1063 (196.3) o EQ126 o TS1064 (383.4) o EQ742 o TS1065 (385.4) o EQ743 o TS1066 (470.7) o EQ866 o TS1067 (674.2) o EQ1631
[ EQ119 ]
C1 ENERGY= 186.4 kJ/mol ( -269.2871829 Hartree) Energy+ZPE= 175.9 kJ/mol ZPE= 0.0940373 CONNECTIONS: o TS1012 (189.8) o EQ111 o TS1068 (188.0) o EQ122 o TS1069 (202.3) o EQ122 o TS1070 (471.8) o EQ205 o TS1071 (385.9) o EQ677 o TS1072 (399.9) o EQ749 o TS1073 (385.2) o EQ761 o TS1074 (387.3) o EQ781 o TS1075 (593.0) o DDC67
[ EQ120 ]
C1 ENERGY= 186.8 kJ/mol ( -269.2870174 Hartree) Energy+ZPE= 176.0 kJ/mol ZPE= 0.0939223 CONNECTIONS: o TS955 (189.4) o EQ101 o TS1076 (188.8) o EQ120 o TS1077 (199.0) o EQ122 o TS1078 (384.6) o EQ752 o TS1079 (395.5) o EQ758 o TS1080 (385.4) o EQ759 o TS1081 (385.3) o EQ767
[ EQ121 ]
Cs ENERGY= 187.0 kJ/mol ( -269.2869733 Hartree) Energy+ZPE= 177.0 kJ/mol ZPE= 0.0942105 CONNECTIONS: o TS979 (201.8) o EQ105 o TS1082 (215.9) o EQ139 o TS1083 (613.7) o EQ271 o TS1084 (464.6) o EQ776 o TS1085 (475.8) o EQ954 o TS1086 (509.2) o EQ1778 o TS1087 (500.1) o EQ1854 o TS1088 (512.6) o EQ1854 o TS1089 (571.4) o DDC68
[ EQ122 ]
C1 ENERGY= 187.0 kJ/mol ( -269.2869530 Hartree) Energy+ZPE= 176.1 kJ/mol ZPE= 0.0938860 CONNECTIONS: o TS1013 (198.1) o EQ111 o TS1068 (188.0) o EQ119 o TS1069 (202.3) o EQ119 o TS1077 (199.0) o EQ120 o TS1090 (383.7) o EQ122 o TS1091 (481.3) o EQ357 o TS1092 (589.4) o EQ534 o TS1093 (384.5) o EQ749 o TS1094 (448.5) o EQ758 o TS1095 (522.5) o EQ1232 o TS1096 (679.7) o EQ1568 o TS1097 (750.7) o EQ2490 o TS1098 (613.2) o DDC69 o UDC34 o
[ EQ123 ]
Cs ENERGY= 189.6 kJ/mol ( -269.2859843 Hartree) Energy+ZPE= 186.2 kJ/mol ZPE= 0.0967247 CONNECTIONS: o TS577 (472.1) o EQ53 o TS1099 (208.6) o EQ140 o TS1100 (476.2) o EQ867 o TS1101 (496.0) o EQ1064 o TS1102 (441.1) o EQ1153 o TS1103 (528.4) o EQ1512 o TS1104 (516.2) o EQ1877 o TS1105 (516.6) o EQ1877 o TS1106 (514.7) o EQ1898 o TS1107 (563.4) o EQ2004 o TS1108 (571.6) o EQ2066 o TS1109 (723.3) o DDC70
[ EQ124 ]
C1 ENERGY= 189.9 kJ/mol ( -269.2858430 Hartree) Energy+ZPE= 180.7 kJ/mol ZPE= 0.0945301 CONNECTIONS: o TS848 (430.3) o EQ86 o TS964 (559.3) o EQ102 o TS980 (208.3) o EQ105 o TS1110 (423.1) o EQ401 o TS1111 (410.6) o EQ448 o TS1112 (401.8) o EQ606 o TS1113 (478.9) o EQ1014 o TS1114 (593.7) o EQ1360 o TS1115 (599.3) o EQ1391 o TS1116 (498.4) o EQ1480 o TS1117 (482.0) o EQ1635 o TS1118 (491.2) o EQ1707
[ EQ125 ]
Cs ENERGY= 190.7 kJ/mol ( -269.2855671 Hartree) Energy+ZPE= 180.0 kJ/mol ZPE= 0.0939644 CONNECTIONS: o TS874 (206.5) o EQ89 o TS1119 (201.0) o EQ125 o TS1120 (537.1) o EQ342 o TS1121 (379.2) o EQ715 o TS1122 (386.9) o EQ734 o TS1123 (595.3) o EQ2156 o TS1124 (661.8) o DDC71 o TS1125 (786.9) o DDC72 o UDC35 o
[ EQ126 ]
C1 ENERGY= 190.8 kJ/mol ( -269.2855305 Hartree) Energy+ZPE= 179.3 kJ/mol ZPE= 0.0936510 CONNECTIONS: o TS1003 (196.6) o EQ110 o TS1063 (196.3) o EQ118 o TS1126 (203.8) o EQ126 o TS1127 (487.9) o EQ327 o TS1128 (375.0) o EQ688 o TS1129 (452.8) o EQ698 o TS1130 (555.7) o EQ1163 o TS1131 (538.6) o EQ1318 o TS1132 (490.2) o EQ1448 o TS1133 (659.5) o EQ2073 o TS1134 (485.0) o DDC73 o UDC36 o
[ EQ127 ]
Cs ENERGY= 191.0 kJ/mol ( -269.2854336 Hartree) Energy+ZPE= 187.4 kJ/mol ZPE= 0.0966747 CONNECTIONS: o TS1135 (208.4) o EQ142 o TS1136 (362.6) o EQ158 o TS1137 (446.7) o EQ778 o TS1138 (477.4) o EQ798 o TS1139 (482.8) o EQ818 o TS1140 (432.0) o EQ950 o TS1141 (540.5) o EQ1117 o TS1142 (506.7) o EQ1482 o TS1143 (514.0) o EQ1869 o TS1144 (588.9) o EQ1965 o TS1145 (561.5) o EQ2098 o TS1146 (557.4) o DDC74
[ EQ128 ]
C1 ENERGY= 191.3 kJ/mol ( -269.2853277 Hartree) Energy+ZPE= 181.7 kJ/mol ZPE= 0.0943980 CONNECTIONS: o TS521 (422.8) o EQ47 o TS1147 (415.9) o EQ128 o TS1148 (204.2) o EQ133 o TS1149 (201.1) o EQ135 o TS1150 (463.9) o DDC75 o UDC37 o
[ EQ129 ]
Cs ENERGY= 192.4 kJ/mol ( -269.2848833 Hartree) Energy+ZPE= 187.0 kJ/mol ZPE= 0.0959671 CONNECTIONS: o TS288 (363.9) o EQ26 o TS1151 (203.6) o EQ129 o TS1152 (331.4) o EQ132 o TS1153 (391.6) o EQ666 o TS1154 (458.3) o EQ1307 o UDC38 o
[ EQ130 ]
C1 ENERGY= 193.6 kJ/mol ( -269.2844523 Hartree) Energy+ZPE= 182.5 kJ/mol ZPE= 0.0937951 CONNECTIONS: o TS923 (205.4) o EQ97 o TS1045 (205.6) o EQ115 o TS1155 (195.6) o EQ130 o TS1156 (380.8) o EQ383 o TS1157 (483.2) o EQ395 o TS1158 (553.0) o EQ1538 o TS1159 (502.4) o EQ1776
[ EQ131 ]
Cs ENERGY= 193.8 kJ/mol ( -269.2843651 Hartree) Energy+ZPE= 184.5 kJ/mol ZPE= 0.0944786 CONNECTIONS: o TS1160 (365.7) o EQ131 o TS1161 (208.8) o EQ151 o TS1162 (224.4) o EQ153 o TS1163 (498.6) o EQ714 o TS1164 (506.7) o EQ1870 o TS1165 (545.2) o EQ2071 o TS1166 (546.3) o EQ2071
[ EQ132 ]
Cs ENERGY= 193.9 kJ/mol ( -269.2843356 Hartree) Energy+ZPE= 188.3 kJ/mol ZPE= 0.0959173 CONNECTIONS: o TS1152 (331.4) o EQ129 o TS1167 (203.9) o EQ132 o TS1168 (389.4) o EQ650 o TS1169 (669.5) o DDC76 o UDC39 o
[ EQ133 ]
C1 ENERGY= 194.0 kJ/mol ( -269.2842994 Hartree) Energy+ZPE= 184.7 kJ/mol ZPE= 0.0944923 CONNECTIONS: o TS4 (297.6) o EQ0 o TS182 (389.4) o EQ15 o TS1148 (204.2) o EQ128 o TS1170 (199.4) o EQ135 o TS1171 (313.1) o EQ216 o TS1172 (641.5) o EQ2056
[ EQ134 ]
C1 ENERGY= 194.2 kJ/mol ( -269.2842182 Hartree) Energy+ZPE= 189.7 kJ/mol ZPE= 0.0963205 CONNECTIONS: o TS304 (366.9) o EQ27 o TS399 (363.7) o EQ35 o TS465 (404.0) o EQ43 o TS1173 (225.6) o EQ134 o TS1174 (230.9) o EQ134 o TS1175 (377.2) o EQ413 o TS1176 (424.6) o EQ931 o TS1177 (412.4) o EQ939 o TS1178 (415.5) o EQ943 o TS1179 (427.0) o EQ957 o TS1180 (478.4) o EQ1048 o TS1181 (462.5) o EQ1078 o TS1182 (449.2) o EQ1087 o TS1183 (458.3) o EQ1108 o TS1184 (480.9) o EQ1128 o TS1185 (454.5) o EQ1215 o TS1186 (440.5) o EQ1228 o TS1187 (454.5) o EQ1422 o TS1188 (543.2) o EQ1475 o TS1189 (534.3) o EQ1734 o TS1190 (509.2) o EQ1822 o TS1191 (624.5) o EQ2266 o TS1192 (727.7) o EQ2469
[ EQ135 ]
C1 ENERGY= 194.7 kJ/mol ( -269.2840184 Hartree) Energy+ZPE= 185.3 kJ/mol ZPE= 0.0944562 CONNECTIONS: o TS593 (494.2) o EQ54 o TS1149 (201.1) o EQ128 o TS1170 (199.4) o EQ133 o TS1193 (543.6) o EQ337
[ EQ136 ]
Cs ENERGY= 194.9 kJ/mol ( -269.2839441 Hartree) Energy+ZPE= 185.0 kJ/mol ZPE= 0.0942510 CONNECTIONS: o TS1194 (201.1) o EQ136 o TS1195 (226.1) o EQ169 o TS1196 (548.6) o EQ353 o TS1197 (489.7) o EQ1052 o TS1198 (488.8) o EQ1055 o TS1199 (470.2) o EQ1135 o TS1200 (516.3) o EQ1531 o TS1201 (518.6) o EQ1962 o TS1202 (520.6) o EQ1962 o TS1203 (649.7) o DDC77
[ EQ137 ]
C1 ENERGY= 195.8 kJ/mol ( -269.2836100 Hartree) Energy+ZPE= 188.2 kJ/mol ZPE= 0.0951411 CONNECTIONS: o TS1204 (227.9) o EQ158 o TS1205 (228.4) o EQ158 o TS1206 (217.2) o EQ159 o TS1207 (217.4) o EQ159 o TS1208 (545.5) o EQ386 o TS1209 (447.6) o EQ448 o TS1210 (512.8) o EQ1695 o TS1211 (528.2) o EQ1998 o TS1212 (841.8) o EQ2534 o TS1213 (842.0) o EQ2534 o UDC40 o
[ EQ138 ]
Cs ENERGY= 196.1 kJ/mol ( -269.2835060 Hartree) Energy+ZPE= 191.2 kJ/mol ZPE= 0.0961618 CONNECTIONS: o TS206 (307.4) o EQ17 o TS1214 (226.5) o EQ154 o TS1215 (546.8) o EQ832 o TS1216 (526.2) o EQ1721 o TS1217 (521.8) o EQ1905 o TS1218 (543.7) o EQ2067 o TS1219 (557.0) o EQ2101 o TS1220 (553.7) o EQ2104 o UDC41 o
[ EQ139 ]
Cs ENERGY= 196.1 kJ/mol ( -269.2834781 Hartree) Energy+ZPE= 185.9 kJ/mol ZPE= 0.0941342 CONNECTIONS: o TS1082 (215.9) o EQ121 o TS1221 (327.0) o EQ161 o TS1222 (535.2) o EQ271 o TS1223 (428.6) o EQ400 o TS1224 (407.2) o EQ626 o TS1225 (476.6) o EQ835 o TS1226 (485.3) o EQ1069 o TS1227 (503.2) o EQ1533
[ EQ140 ]
Cs ENERGY= 196.9 kJ/mol ( -269.2831958 Hartree) Energy+ZPE= 192.2 kJ/mol ZPE= 0.0962440 CONNECTIONS: o TS1099 (208.6) o EQ123 o TS1228 (369.1) o EQ186 o TS1229 (521.5) o EQ186 o TS1230 (562.4) o EQ232 o TS1231 (461.1) o EQ769 o TS1232 (500.8) o EQ1134 o TS1233 (441.4) o EQ1153 o TS1234 (534.3) o EQ1572 o TS1235 (520.2) o EQ1910 o TS1236 (521.6) o EQ1939 o TS1237 (557.3) o EQ2002 o TS1238 (578.0) o EQ2089 o TS1239 (757.0) o EQ2517
[ EQ141 ]
Cs ENERGY= 197.0 kJ/mol ( -269.2831539 Hartree) Energy+ZPE= 187.6 kJ/mol ZPE= 0.0944693 CONNECTIONS: o TS192 (518.7) o EQ16 o TS913 (210.3) o EQ95 o TS1041 (216.0) o EQ114 o TS1240 (449.1) o EQ231 o TS1241 (487.5) o EQ330 o TS1242 (466.9) o EQ394 o TS1243 (480.0) o EQ1454 o TS1244 (506.2) o EQ1790
[ EQ142 ]
Cs ENERGY= 197.2 kJ/mol ( -269.2830572 Hartree) Energy+ZPE= 192.5 kJ/mol ZPE= 0.0962564 CONNECTIONS: o TS1135 (208.4) o EQ127 o TS1245 (372.5) o EQ186 o TS1246 (460.8) o EQ766 o TS1247 (454.1) o EQ1136 o TS1248 (514.4) o EQ1383 o TS1249 (522.9) o EQ1768 o TS1250 (520.2) o EQ1892 o TS1251 (539.4) o EQ1996 o TS1252 (558.3) o EQ2004 o TS1253 (608.3) o EQ2007 o TS1254 (580.0) o EQ2066 o TS1255 (577.0) o EQ2084 o TS1256 (539.0) o DDC78
[ EQ143 ]
Cs ENERGY= 198.3 kJ/mol ( -269.2826651 Hartree) Energy+ZPE= 187.8 kJ/mol ZPE= 0.0940502 CONNECTIONS: o TS1257 (204.9) o EQ143 o TS1258 (368.6) o EQ147 o TS1259 (290.6) o EQ171 o TS1260 (433.7) o DDC79 o UDC42 o
[ EQ144 ]
Cs ENERGY= 198.4 kJ/mol ( -269.2826261 Hartree) Energy+ZPE= 190.9 kJ/mol ZPE= 0.0951824 CONNECTIONS: o TS644 (303.2) o EQ59 o TS1261 (202.7) o EQ144 o TS1262 (464.5) o EQ601 o TS1263 (436.9) o EQ997 o TS1264 (523.8) o EQ1306 o TS1265 (613.1) o DDC80
[ EQ145 ]
C1 ENERGY= 198.5 kJ/mol ( -269.2825663 Hartree) Energy+ZPE= 193.8 kJ/mol ZPE= 0.0962584 CONNECTIONS: o TS1266 (210.4) o EQ161 o TS1267 (214.2) o EQ166 o TS1268 (560.4) o EQ210 o TS1269 (469.2) o EQ508 o TS1270 (560.5) o EQ712 o TS1271 (477.7) o EQ950 o TS1272 (539.9) o EQ1512 o TS1273 (526.6) o EQ1670 o TS1274 (527.2) o EQ1670 o TS1275 (478.4) o EQ1730 o TS1276 (504.1) o EQ1734 o TS1277 (629.4) o EQ1965 o TS1278 (533.5) o EQ2017 o TS1279 (537.2) o EQ2017 o TS1280 (542.5) o EQ2017 o TS1281 (567.2) o EQ2031 o TS1282 (542.2) o EQ2052 o UDC43 o
[ EQ146 ]
Cs ENERGY= 198.8 kJ/mol ( -269.2824758 Hartree) Energy+ZPE= 188.6 kJ/mol ZPE= 0.0941625 CONNECTIONS: o TS1283 (200.5) o EQ146 o TS1284 (217.4) o EQ148 o TS1285 (511.5) o EQ1211 o TS1286 (507.5) o EQ1574
[ EQ147 ]
Cs ENERGY= 198.9 kJ/mol ( -269.2824313 Hartree) Energy+ZPE= 188.4 kJ/mol ZPE= 0.0940456 CONNECTIONS: o TS736 (352.9) o EQ71 o TS737 (376.0) o EQ71 o TS1258 (368.6) o EQ143 o TS1287 (206.4) o EQ147 o TS1288 (382.5) o EQ337 o TS1289 (529.3) o EQ671 o TS1290 (301.7) o DDC81 o TS1291 (510.3) o DDC82 o UDC44 o
[ EQ148 ]
Cs ENERGY= 201.0 kJ/mol ( -269.2816205 Hartree) Energy+ZPE= 190.6 kJ/mol ZPE= 0.0940914 CONNECTIONS: o TS1284 (217.4) o EQ146 o TS1292 (204.4) o EQ148 o TS1293 (406.1) o EQ823 o TS1294 (429.7) o EQ823 o TS1295 (399.3) o EQ886 o TS1296 (531.2) o EQ1689 o TS1297 (574.6) o EQ2148 o TS1298 (561.1) o DDC83 o TS1299 (570.8) o DDC84 o UDC45 o
[ EQ149 ]
Cs ENERGY= 201.1 kJ/mol ( -269.2816068 Hartree) Energy+ZPE= 196.8 kJ/mol ZPE= 0.0964138 CONNECTIONS: o TS1300 (232.0) o EQ168 o TS1301 (486.7) o EQ739 o TS1302 (500.4) o EQ1632 o TS1303 (501.2) o EQ1711 o TS1304 (512.5) o EQ1872 o TS1305 (554.8) o EQ2072 o TS1306 (559.0) o EQ2093 o TS1307 (670.6) o EQ2371
[ EQ150 ]
Cs ENERGY= 202.5 kJ/mol ( -269.2810534 Hartree) Energy+ZPE= 191.1 kJ/mol ZPE= 0.0936825 CONNECTIONS: o TS1308 (205.6) o EQ150 o TS1309 (219.2) o EQ167 o TS1310 (434.5) o EQ711 o TS1311 (407.9) o EQ833 o TS1312 (516.9) o EQ1944 o UDC46 o o UDC47 o
[ EQ151 ]
C1 ENERGY= 203.0 kJ/mol ( -269.2808749 Hartree) Energy+ZPE= 193.1 kJ/mol ZPE= 0.0942613 CONNECTIONS: o TS1161 (208.8) o EQ131 o TS1313 (206.2) o EQ151 o TS1314 (406.8) o EQ171 o TS1315 (229.5) o EQ178 o TS1316 (493.5) o EQ714 o TS1317 (488.7) o EQ753 o TS1318 (517.1) o EQ1941 o UDC48 o
[ EQ152 ]
Cs ENERGY= 203.1 kJ/mol ( -269.2808217 Hartree) Energy+ZPE= 196.7 kJ/mol ZPE= 0.0956009 CONNECTIONS: o TS1319 (210.3) o EQ152 o TS1320 (427.2) o EQ1067 o TS1321 (486.0) o EQ1231 o TS1322 (547.7) o EQ2034 o TS1323 (664.9) o EQ2357 o TS1324 (654.5) o DDC85
[ EQ153 ]
C1 ENERGY= 203.8 kJ/mol ( -269.2805736 Hartree) Energy+ZPE= 193.3 kJ/mol ZPE= 0.0940508 CONNECTIONS: o TS1162 (224.4) o EQ131 o TS1325 (377.1) o EQ153 o TS1326 (221.4) o EQ178 o TS1327 (499.5) o EQ430 o TS1328 (390.9) o EQ445 o TS1329 (497.1) o EQ690 o TS1330 (434.1) o EQ753 o TS1331 (518.1) o EQ1906 o TS1332 (515.5) o EQ1916 o TS1333 (527.7) o EQ1984 o TS1334 (546.1) o EQ2071
[ EQ154 ]
Cs ENERGY= 204.6 kJ/mol ( -269.2802615 Hartree) Energy+ZPE= 198.7 kJ/mol ZPE= 0.0957962 CONNECTIONS: o TS1214 (226.5) o EQ138 o TS1335 (602.0) o EQ252 o TS1336 (453.6) o EQ637 o TS1337 (457.9) o EQ713 o TS1338 (554.2) o EQ1263 o TS1339 (514.0) o EQ1920 o TS1340 (517.6) o EQ1924 o TS1341 (536.8) o EQ2039 o TS1342 (555.4) o EQ2072 o TS1343 (553.4) o EQ2076 o TS1344 (548.5) o EQ2092 o TS1345 (579.5) o EQ2093
[ EQ155 ]
Cs ENERGY= 205.1 kJ/mol ( -269.2800783 Hartree) Energy+ZPE= 193.7 kJ/mol ZPE= 0.0936868 CONNECTIONS: o TS1346 (211.3) o EQ155 o TS1347 (221.0) o EQ162 o TS1348 (409.5) o EQ953 o TS1349 (407.8) o EQ966
[ EQ156 ]
Cs ENERGY= 205.2 kJ/mol ( -269.2800453 Hartree) Energy+ZPE= 198.5 kJ/mol ZPE= 0.0954935 CONNECTIONS: o TS609 (306.7) o EQ56 o TS1350 (212.9) o EQ156 o TS1351 (430.6) o EQ1039 o TS1352 (487.1) o EQ1263 o TS1353 (643.7) o DDC86 o UDC49 o
[ EQ157 ]
Cs ENERGY= 206.6 kJ/mol ( -269.2795033 Hartree) Energy+ZPE= 196.4 kJ/mol ZPE= 0.0941596 CONNECTIONS: o TS1035 (219.9) o EQ113 o TS1354 (215.4) o EQ157 o TS1355 (402.7) o EQ796 o TS1356 (393.9) o EQ844 o TS1357 (651.9) o EQ1021 o TS1358 (485.6) o EQ1031 o TS1359 (619.8) o EQ1234 o TS1360 (519.6) o EQ1662
[ EQ158 ]
C1 ENERGY= 207.1 kJ/mol ( -269.2793132 Hartree) Energy+ZPE= 199.2 kJ/mol ZPE= 0.0950174 CONNECTIONS: o TS1136 (362.6) o EQ127 o TS1204 (227.9) o EQ137 o TS1205 (228.4) o EQ137 o TS1361 (228.6) o EQ186 o TS1362 (228.8) o EQ186 o TS1363 (407.3) o EQ198 o TS1364 (485.8) o EQ325 o TS1365 (553.5) o EQ355 o TS1366 (561.3) o EQ358 o TS1367 (504.1) o EQ399 o TS1368 (527.6) o EQ412 o TS1369 (544.3) o EQ412 o TS1370 (551.6) o EQ412 o TS1371 (387.4) o EQ559 o TS1372 (608.7) o EQ651 o TS1373 (434.6) o EQ778 o TS1374 (484.5) o EQ1022 o TS1375 (512.7) o EQ1367 o TS1376 (558.6) o EQ1539 o TS1377 (556.9) o EQ1612 o TS1378 (525.2) o EQ1626 o TS1379 (527.0) o EQ1998 o TS1380 (847.9) o EQ2534
[ EQ159 ]
C1 ENERGY= 207.3 kJ/mol ( -269.2792274 Hartree) Energy+ZPE= 198.4 kJ/mol ZPE= 0.0946269 CONNECTIONS: o TS1206 (217.2) o EQ137 o TS1207 (217.4) o EQ137 o TS1381 (418.1) o EQ159 o TS1382 (239.0) o EQ186 o TS1383 (239.3) o EQ186 o TS1384 (524.9) o EQ299 o TS1385 (617.8) o EQ385 o TS1386 (563.9) o EQ1560 o TS1387 (499.2) o EQ1695 o TS1388 (569.8) o EQ2143 o TS1389 (584.1) o EQ2143
[ EQ160 ]
Cs ENERGY= 207.6 kJ/mol ( -269.2791293 Hartree) Energy+ZPE= 205.1 kJ/mol ZPE= 0.0971018 CONNECTIONS: o TS601 (460.0) o EQ55 o TS1390 (223.6) o EQ175 o TS1391 (542.2) o EQ840 o TS1392 (466.7) o EQ1510 o UDC50 o
[ EQ161 ]
C1 ENERGY= 208.1 kJ/mol ( -269.2789329 Hartree) Energy+ZPE= 202.4 kJ/mol ZPE= 0.0958582 CONNECTIONS: o TS1221 (327.0) o EQ139 o TS1266 (210.4) o EQ145 o TS1393 (211.0) o EQ166 o TS1394 (474.4) o EQ1120 o TS1395 (533.3) o EQ1699 o TS1396 (536.8) o EQ1699
[ EQ162 ]
Cs ENERGY= 208.5 kJ/mol ( -269.2787818 Hartree) Energy+ZPE= 197.9 kJ/mol ZPE= 0.0940109 CONNECTIONS: o TS1347 (221.0) o EQ155 o TS1397 (214.1) o EQ162 o TS1398 (484.2) o EQ167 o TS1399 (403.5) o EQ856 o TS1400 (410.4) o EQ909 o TS1401 (431.6) o EQ959 o TS1402 (493.4) o EQ1115
[ EQ163 ]
Cs ENERGY= 208.8 kJ/mol ( -269.2786641 Hartree) Energy+ZPE= 200.3 kJ/mol ZPE= 0.0947921 CONNECTIONS: o TS1403 (214.4) o EQ163 o TS1404 (345.0) o EQ164 o TS1405 (484.4) o EQ164 o TS1406 (514.1) o EQ164 o TS1407 (237.0) o EQ190 o TS1408 (468.2) o EQ1202 o TS1409 (468.7) o EQ1343 o TS1410 (507.4) o EQ1753 o TS1411 (534.3) o EQ1862
[ EQ164 ]
Cs ENERGY= 208.9 kJ/mol ( -269.2786121 Hartree) Energy+ZPE= 200.5 kJ/mol ZPE= 0.0948343 CONNECTIONS: o TS1404 (345.0) o EQ163 o TS1405 (484.4) o EQ163 o TS1406 (514.1) o EQ163 o TS1412 (214.6) o EQ164 o TS1413 (236.9) o EQ189 o TS1414 (463.8) o EQ1205 o TS1415 (482.5) o EQ1343 o TS1416 (469.6) o EQ1569 o TS1417 (508.2) o EQ1751 o TS1418 (538.0) o DDC87
[ EQ165 ]
C1 ENERGY= 209.4 kJ/mol ( -269.2784375 Hartree) Energy+ZPE= 198.5 kJ/mol ZPE= 0.0938876 CONNECTIONS: o TS241 (400.9) o EQ22 o TS1419 (214.2) o EQ165 o TS1420 (240.3) o EQ173 o TS1421 (243.8) o EQ173 o TS1422 (364.3) o EQ620 o TS1423 (364.5) o EQ620 o TS1424 (364.5) o EQ620 o TS1425 (376.0) o EQ620 o TS1426 (362.6) o EQ622 o TS1427 (364.5) o EQ629 o TS1428 (398.7) o EQ647 o TS1429 (511.9) o EQ1157 o TS1430 (466.5) o EQ1277 o UDC51 o
[ EQ166 ]
C1 ENERGY= 209.5 kJ/mol ( -269.2783985 Hartree) Energy+ZPE= 203.8 kJ/mol ZPE= 0.0958730 CONNECTIONS: o TS1267 (214.2) o EQ145 o TS1393 (211.0) o EQ161 o TS1431 (491.8) o EQ1136 o TS1432 (474.8) o EQ1153 o TS1433 (553.5) o EQ1560 o TS1434 (533.4) o EQ1683 o TS1435 (536.1) o EQ1683 o TS1436 (534.8) o EQ1892 o TS1437 (554.2) o EQ1939 o TS1438 (542.2) o EQ2046 o TS1439 (571.3) o EQ2046 o TS1440 (545.8) o EQ2047 o TS1441 (584.1) o EQ2094
[ EQ167 ]
C1 ENERGY= 209.5 kJ/mol ( -269.2783810 Hartree) Energy+ZPE= 198.1 kJ/mol ZPE= 0.0937010 CONNECTIONS: o TS1309 (219.2) o EQ150 o TS1398 (484.2) o EQ162 o TS1442 (210.9) o EQ167 o TS1443 (404.5) o EQ941 o TS1444 (556.9) o EQ2119 o TS1445 (449.5) o DDC88 o UDC52 o
[ EQ168 ]
Cs ENERGY= 210.0 kJ/mol ( -269.2781960 Hartree) Energy+ZPE= 205.1 kJ/mol ZPE= 0.0961551 CONNECTIONS: o TS400 (318.4) o EQ35 o TS1300 (232.0) o EQ149 o TS1446 (444.1) o EQ657 o TS1447 (492.6) o EQ757 o TS1448 (633.6) o EQ986 o TS1449 (494.4) o EQ1325 o TS1450 (500.5) o EQ1632 o TS1451 (531.4) o EQ1920 o TS1452 (625.2) o EQ2026 o TS1453 (556.0) o EQ2076 o TS1454 (556.0) o EQ2080 o TS1455 (664.3) o EQ2372 o TS1456 (665.4) o EQ2376
[ EQ169 ]
Cs ENERGY= 210.1 kJ/mol ( -269.2781593 Hartree) Energy+ZPE= 199.3 kJ/mol ZPE= 0.0939263 CONNECTIONS: o TS1051 (488.8) o EQ116 o TS1195 (226.1) o EQ136 o TS1457 (218.7) o EQ169 o TS1458 (545.8) o EQ367 o TS1459 (488.0) o EQ1182 o TS1460 (498.2) o EQ1241 o TS1461 (500.5) o EQ1415 o TS1462 (523.9) o EQ1975 o TS1463 (525.3) o EQ1975
[ EQ170 ]
Cs ENERGY= 211.7 kJ/mol ( -269.2775500 Hartree) Energy+ZPE= 202.4 kJ/mol ZPE= 0.0944751 CONNECTIONS: o TS137 (348.4) o EQ12 o TS242 (352.2) o EQ22 o TS1464 (216.6) o EQ170 o TS1465 (379.4) o EQ170 o TS1466 (233.9) o EQ172 o TS1467 (464.4) o EQ405 o TS1468 (349.4) o EQ558 o TS1469 (381.8) o EQ660 o TS1470 (404.4) o EQ685 o TS1471 (637.4) o EQ692 o TS1472 (378.4) o EQ709 o TS1473 (390.8) o EQ768 o TS1474 (390.4) o EQ772 o TS1475 (647.8) o EQ2225
[ EQ171 ]
C1 ENERGY= 212.8 kJ/mol ( -269.2771342 Hartree) Energy+ZPE= 202.6 kJ/mol ZPE= 0.0941372 CONNECTIONS: o TS1259 (290.6) o EQ143 o TS1314 (406.8) o EQ151 o TS1476 (222.0) o EQ171 o TS1477 (340.5) o EQ171 o TS1478 (363.2) o EQ171 o TS1479 (364.3) o EQ233 o TS1480 (394.3) o EQ331 o TS1481 (543.7) o EQ1900
[ EQ172 ]
Cs ENERGY= 213.3 kJ/mol ( -269.2769556 Hartree) Energy+ZPE= 203.9 kJ/mol ZPE= 0.0944613 CONNECTIONS: o TS138 (355.9) o EQ12 o TS243 (362.1) o EQ22 o TS1466 (233.9) o EQ170 o TS1482 (217.9) o EQ172 o TS1483 (377.5) o EQ248 o TS1484 (347.6) o EQ551 o TS1485 (381.2) o EQ551 o TS1486 (538.5) o EQ694 o TS1487 (387.9) o EQ706 o TS1488 (394.2) o EQ721 o TS1489 (620.1) o EQ1985 o TS1490 (655.4) o EQ1985 o TS1491 (675.2) o EQ2389 o TS1492 (680.3) o EQ2389 o TS1493 (714.8) o EQ2402 o UDC53 o
[ EQ173 ]
C1 ENERGY= 213.8 kJ/mol ( -269.2767652 Hartree) Energy+ZPE= 202.9 kJ/mol ZPE= 0.0938720 CONNECTIONS: o TS35 (376.6) o EQ3 o TS1420 (240.3) o EQ165 o TS1421 (243.8) o EQ165 o TS1494 (219.1) o EQ173 o TS1495 (527.5) o EQ211 o TS1496 (360.4) o EQ565 o TS1497 (397.1) o EQ653 o TS1498 (400.9) o EQ824 o TS1499 (403.9) o EQ824 o TS1500 (533.5) o EQ882 o TS1501 (448.9) o EQ1071 o TS1502 (514.0) o EQ1071 o TS1503 (458.7) o EQ1181 o TS1504 (495.0) o EQ1811 o TS1505 (538.5) o EQ2030 o TS1506 (537.3) o EQ2034 o TS1507 (542.8) o EQ2034 o TS1508 (690.1) o EQ2389
[ EQ174 ]
Cs ENERGY= 214.5 kJ/mol ( -269.2764789 Hartree) Energy+ZPE= 204.2 kJ/mol ZPE= 0.0941064 CONNECTIONS: o TS504 (419.3) o EQ45 o TS1509 (216.6) o EQ174 o TS1510 (228.2) o EQ179 o TS1511 (405.9) o EQ179 o TS1512 (591.5) o EQ179 o TS1513 (383.4) o EQ463 o TS1514 (339.7) o EQ484 o TS1515 (347.2) o EQ515 o TS1516 (635.2) o EQ523 o TS1517 (471.4) o EQ848 o TS1518 (473.8) o EQ965 o TS1519 (483.0) o EQ1065 o TS1520 (599.6) o EQ1917
[ EQ175 ]
C2v ENERGY= 214.7 kJ/mol ( -269.2764156 Hartree) Energy+ZPE= 206.9 kJ/mol ZPE= 0.0950535 CONNECTIONS: o TS483 (354.1) o EQ44 o TS1390 (223.6) o EQ160 o TS1521 (441.4) o EQ445 o TS1522 (356.4) o EQ557 o TS1523 (458.8) o EQ1530 o TS1524 (418.5) o DDC89
[ EQ176 ]
Cs ENERGY= 214.8 kJ/mol ( -269.2763730 Hartree) Energy+ZPE= 209.3 kJ/mol ZPE= 0.0959475 CONNECTIONS: o TS1525 (240.4) o EQ181 o TS1526 (491.0) o EQ577 o TS1527 (485.8) o EQ1073 o TS1528 (471.2) o EQ1157 o TS1529 (443.3) o EQ1219 o TS1530 (529.9) o EQ1253 o TS1531 (459.7) o EQ1283 o TS1532 (485.2) o EQ1499 o TS1533 (489.5) o EQ1795
[ EQ177 ]
Cs ENERGY= 215.3 kJ/mol ( -269.2761868 Hartree) Energy+ZPE= 203.7 kJ/mol ZPE= 0.0936115 CONNECTIONS: o TS5 (416.3) o EQ0 o TS20 (377.2) o EQ1 o TS1534 (219.2) o EQ177 o TS1535 (240.0) o EQ182 o TS1536 (396.8) o EQ614 o TS1537 (447.8) o EQ848 o TS1538 (461.3) o EQ848 o UDC54 o
[ EQ178 ]
C1 ENERGY= 215.3 kJ/mol ( -269.2761643 Hartree) Energy+ZPE= 204.3 kJ/mol ZPE= 0.0938349 CONNECTIONS: o TS1315 (229.5) o EQ151 o TS1326 (221.4) o EQ153 o TS1539 (218.2) o EQ178 o TS1540 (571.0) o EQ178 o TS1541 (507.7) o EQ194 o TS1542 (412.3) o EQ512 o TS1543 (438.8) o EQ674 o TS1544 (561.3) o EQ2071 o TS1545 (587.0) o DDC90
[ EQ179 ]
Cs ENERGY= 215.7 kJ/mol ( -269.2760315 Hartree) Energy+ZPE= 205.4 kJ/mol ZPE= 0.0940975 CONNECTIONS: o TS1510 (228.2) o EQ174 o TS1511 (405.9) o EQ174 o TS1512 (591.5) o EQ174 o TS1546 (219.6) o EQ179 o TS1547 (335.9) o EQ484 o TS1548 (347.2) o EQ533 o TS1549 (392.0) o EQ827 o TS1550 (468.7) o EQ1006 o TS1551 (461.6) o EQ1052
[ EQ180 ]
Cs ENERGY= 215.8 kJ/mol ( -269.2759937 Hartree) Energy+ZPE= 205.9 kJ/mol ZPE= 0.0942798 CONNECTIONS: o TS1552 (412.2) o EQ180 o TS1553 (226.6) o EQ188 o TS1554 (237.9) o EQ203 o TS1555 (413.5) o EQ1010 o TS1556 (411.3) o EQ1013 o TS1557 (664.0) o EQ1841 o TS1558 (653.9) o EQ1857 o TS1559 (575.4) o EQ2106 o TS1560 (679.8) o DDC91
[ EQ181 ]
Cs ENERGY= 215.8 kJ/mol ( -269.2759719 Hartree) Energy+ZPE= 210.2 kJ/mol ZPE= 0.0959115 CONNECTIONS: o TS193 (414.7) o EQ16 o TS1525 (240.4) o EQ176 o TS1561 (492.4) o EQ1138 o TS1562 (484.9) o EQ1176 o TS1563 (446.5) o EQ1260 o TS1564 (490.4) o EQ1287 o TS1565 (463.0) o EQ1332 o TS1566 (480.5) o EQ1556 o TS1567 (492.9) o EQ1755 o TS1568 (492.1) o EQ1807 o TS1569 (681.6) o EQ1888 o TS1570 (604.0) o DDC92
[ EQ182 ]
C1 ENERGY= 216.2 kJ/mol ( -269.2758553 Hartree) Energy+ZPE= 204.9 kJ/mol ZPE= 0.0937263 CONNECTIONS: o TS1535 (240.0) o EQ177 o TS1571 (219.2) o EQ182 o TS1572 (393.5) o EQ569 o TS1573 (640.5) o EQ583 o TS1574 (384.2) o EQ755 o TS1575 (466.7) o EQ1006 o UDC55 o
[ EQ183 ]
Cs ENERGY= 216.5 kJ/mol ( -269.2757387 Hartree) Energy+ZPE= 209.7 kJ/mol ZPE= 0.0954464 CONNECTIONS: o TS1576 (248.6) o EQ197 o TS1577 (544.2) o EQ1375 o TS1578 (512.2) o EQ1695 o UDC56 o
[ EQ184 ]
Cs ENERGY= 216.6 kJ/mol ( -269.2756881 Hartree) Energy+ZPE= 209.8 kJ/mol ZPE= 0.0954541 CONNECTIONS: o TS1579 (248.4) o EQ208 o TS1580 (552.2) o EQ1446 o TS1581 (525.6) o EQ1521 o TS1582 (538.8) o EQ1901 o TS1583 (487.7) o DDC93 o UDC57 o
[ EQ185 ]
C1 ENERGY= 218.5 kJ/mol ( -269.2749611 Hartree) Energy+ZPE= 208.8 kJ/mol ZPE= 0.0943364 CONNECTIONS: o TS1584 (223.0) o EQ185 o TS1585 (516.7) o EQ185 o TS1586 (238.1) o EQ188 o TS1587 (239.6) o EQ203 o TS1588 (609.5) o EQ626 o TS1589 (430.9) o EQ983 o TS1590 (412.9) o EQ1002 o TS1591 (455.3) o EQ1002 o TS1592 (417.4) o EQ1061 o TS1593 (424.9) o EQ1110 o TS1594 (426.0) o EQ1110 o TS1595 (633.0) o EQ2130 o TS1596 (602.8) o EQ2151 o TS1597 (570.6) o EQ2154 o TS1598 (587.2) o EQ2154 o TS1599 (577.2) o EQ2168 o TS1600 (607.7) o DDC94
[ EQ186 ]
C1 ENERGY= 218.8 kJ/mol ( -269.2748637 Hartree) Energy+ZPE= 209.5 kJ/mol ZPE= 0.0944817 CONNECTIONS: o TS1228 (369.1) o EQ140 o TS1229 (521.5) o EQ140 o TS1245 (372.5) o EQ142 o TS1361 (228.6) o EQ158 o TS1362 (228.8) o EQ158 o TS1382 (239.0) o EQ159 o TS1383 (239.3) o EQ159 o TS1601 (570.2) o EQ186 o TS1602 (409.9) o EQ198 o TS1603 (554.3) o EQ411 o TS1604 (476.4) o EQ435 o TS1605 (513.8) o EQ435 o TS1606 (406.6) o EQ655 o TS1607 (466.8) o EQ990 o TS1608 (491.3) o EQ1240 o TS1609 (572.1) o EQ1696 o TS1610 (536.6) o EQ1722 o TS1611 (530.8) o EQ1725 o TS1612 (565.0) o EQ2143
[ EQ187 ]
C1 ENERGY= 219.7 kJ/mol ( -269.2744980 Hartree) Energy+ZPE= 211.9 kJ/mol ZPE= 0.0950689 CONNECTIONS: o TS931 (376.1) o EQ99 o TS1613 (540.1) o EQ187 o TS1614 (232.4) o EQ220 o TS1615 (416.3) o EQ1053 o TS1616 (516.0) o EQ1081 o TS1617 (432.6) o EQ1083 o TS1618 (422.3) o EQ1101 o TS1619 (465.1) o EQ1392 o TS1620 (546.8) o EQ2023 o TS1621 (539.8) o EQ2053 o TS1622 (551.5) o EQ2099 o TS1623 (554.7) o EQ2105 o TS1624 (411.0) o DDC95 o UDC58 o
[ EQ188 ]
C1 ENERGY= 220.3 kJ/mol ( -269.2742766 Hartree) Energy+ZPE= 210.6 kJ/mol ZPE= 0.0943583 CONNECTIONS: o TS1553 (226.6) o EQ180 o TS1586 (238.1) o EQ185 o TS1625 (232.0) o EQ188 o TS1626 (519.1) o EQ188 o TS1627 (586.8) o EQ626 o TS1628 (494.0) o EQ906 o TS1629 (415.4) o EQ982 o TS1630 (410.1) o EQ983 o TS1631 (413.8) o EQ1032 o TS1632 (482.3) o EQ1032 o TS1633 (598.5) o EQ2159 o TS1634 (605.8) o EQ2159 o TS1635 (608.3) o EQ2165 o TS1636 (617.8) o EQ2186 o TS1637 (617.6) o DDC96
[ EQ189 ]
Cs ENERGY= 220.7 kJ/mol ( -269.2741152 Hartree) Energy+ZPE= 211.7 kJ/mol ZPE= 0.0946086 CONNECTIONS: o TS1413 (236.9) o EQ164 o TS1638 (226.4) o EQ189 o TS1639 (485.9) o EQ190 o TS1640 (476.7) o EQ1666 o TS1641 (520.7) o EQ1810 o TS1642 (545.7) o EQ2068
[ EQ190 ]
Cs ENERGY= 220.9 kJ/mol ( -269.2740379 Hartree) Energy+ZPE= 211.8 kJ/mol ZPE= 0.0945656 CONNECTIONS: o TS1407 (237.0) o EQ163 o TS1639 (485.9) o EQ189 o TS1643 (226.6) o EQ190 o TS1644 (571.2) o EQ370 o TS1645 (478.3) o EQ1645
[ EQ191 ]
C1 ENERGY= 221.8 kJ/mol ( -269.2737071 Hartree) Energy+ZPE= 213.2 kJ/mol ZPE= 0.0947704 CONNECTIONS: o TS1646 (500.3) o EQ191 o TS1647 (241.4) o EQ207 o TS1648 (238.6) o EQ216 o TS1649 (478.6) o EQ1030 o TS1650 (644.7) o EQ1321 o TS1651 (547.0) o EQ1935 o TS1652 (556.5) o EQ2114 o TS1653 (558.7) o EQ2123 o TS1654 (563.1) o EQ2126 o TS1655 (622.7) o EQ2126 o TS1656 (569.5) o EQ2135 o TS1657 (564.5) o EQ2136 o TS1658 (566.7) o EQ2139
[ EQ192 ]
Cs ENERGY= 222.4 kJ/mol ( -269.2734670 Hartree) Energy+ZPE= 217.0 kJ/mol ZPE= 0.0959923 CONNECTIONS: o TS414 (378.4) o EQ36 o TS1659 (237.7) o EQ196 o TS1660 (410.3) o EQ348 o TS1661 (516.2) o EQ525 o TS1662 (496.1) o EQ1171 o TS1663 (452.3) o EQ1365 o TS1664 (489.8) o EQ1497 o TS1665 (489.4) o EQ1795
[ EQ193 ]
C1 ENERGY= 223.2 kJ/mol ( -269.2731893 Hartree) Energy+ZPE= 215.3 kJ/mol ZPE= 0.0950373 CONNECTIONS: o TS1666 (223.5) o EQ194 o TS1667 (234.3) o EQ221 o TS1668 (457.3) o EQ1189 o TS1669 (454.4) o EQ1247 o TS1670 (457.4) o EQ1255 o TS1671 (492.9) o EQ1262 o TS1672 (463.8) o EQ1312 o TS1673 (516.8) o EQ1835 o TS1674 (512.8) o EQ1908 o TS1675 (516.6) o EQ1908 o TS1676 (512.6) o EQ1926 o TS1677 (524.2) o EQ1957 o TS1678 (526.5) o EQ1973 o UDC59 o o UDC60 o
[ EQ194 ]
C1 ENERGY= 223.2 kJ/mol ( -269.2731739 Hartree) Energy+ZPE= 215.2 kJ/mol ZPE= 0.0949847 CONNECTIONS: o TS1541 (507.7) o EQ178 o TS1666 (223.5) o EQ193 o TS1679 (234.1) o EQ219 o TS1680 (462.0) o EQ1286 o TS1681 (463.7) o EQ1319 o TS1682 (517.0) o EQ1842 o TS1683 (517.3) o EQ1957 o UDC61 o
[ EQ195 ]
C1 ENERGY= 224.7 kJ/mol ( -269.2726173 Hartree) Energy+ZPE= 219.3 kJ/mol ZPE= 0.0959752 CONNECTIONS: o TS107 (300.3) o EQ9 o TS1684 (242.1) o EQ211 o TS1685 (239.2) o EQ217 o TS1686 (506.6) o EQ658 o TS1687 (491.9) o EQ1287 o TS1688 (556.9) o EQ1459 o TS1689 (484.1) o EQ1693 o TS1690 (544.7) o EQ1811 o TS1691 (522.7) o EQ1924 o TS1692 (537.5) o EQ1935 o TS1693 (553.9) o EQ2109 o TS1694 (556.9) o EQ2116 o TS1695 (561.7) o EQ2120 o TS1696 (568.9) o EQ2122 o TS1697 (564.2) o EQ2128
[ EQ196 ]
C1 ENERGY= 225.8 kJ/mol ( -269.2721625 Hartree) Energy+ZPE= 220.5 kJ/mol ZPE= 0.0960105 CONNECTIONS: o TS420 (387.2) o EQ37 o TS421 (468.5) o EQ37 o TS659 (461.4) o EQ64 o TS760 (409.6) o EQ74 o TS1659 (237.7) o EQ192 o TS1698 (227.2) o EQ196 o TS1699 (437.1) o EQ409 o TS1700 (463.6) o EQ518 o TS1701 (493.1) o EQ668 o TS1702 (496.7) o EQ1050 o TS1703 (457.9) o EQ1346 o TS1704 (494.8) o EQ1807
[ EQ197 ]
Cs ENERGY= 226.0 kJ/mol ( -269.2721067 Hartree) Energy+ZPE= 219.2 kJ/mol ZPE= 0.0954635 CONNECTIONS: o TS1576 (248.6) o EQ183 o TS1705 (537.7) o EQ511 o TS1706 (540.9) o EQ739 o TS1707 (540.4) o EQ1759 o UDC62 o o UDC63 o
[ EQ198 ]
C1 ENERGY= 226.8 kJ/mol ( -269.2717926 Hartree) Energy+ZPE= 217.3 kJ/mol ZPE= 0.0944173 CONNECTIONS: o TS1363 (407.3) o EQ158 o TS1602 (409.9) o EQ186 o TS1708 (231.9) o EQ198 o TS1709 (228.2) o EQ199 o TS1710 (492.0) o EQ745 o TS1711 (453.2) o EQ1288 o TS1712 (670.4) o DDC97
[ EQ199 ]
C1 ENERGY= 227.2 kJ/mol ( -269.2716433 Hartree) Energy+ZPE= 217.5 kJ/mol ZPE= 0.0943478 CONNECTIONS: o TS1709 (228.2) o EQ198 o TS1713 (232.2) o EQ199 o TS1714 (453.4) o EQ1236 o TS1715 (450.3) o EQ1288 o TS1716 (513.1) o EQ1288 o UDC64 o
[ EQ200 ]
C1 ENERGY= 227.5 kJ/mol ( -269.2715242 Hartree) Energy+ZPE= 217.3 kJ/mol ZPE= 0.0941342 CONNECTIONS: o TS1717 (235.9) o EQ200 o TS1718 (228.6) o EQ201 o TS1719 (510.7) o EQ627 o TS1720 (476.0) o EQ711 o TS1721 (449.0) o EQ1145 o TS1722 (449.3) o EQ1207 o TS1723 (459.1) o EQ1393 o TS1724 (473.8) o EQ1465 o UDC65 o
[ EQ201 ]
Cs ENERGY= 227.6 kJ/mol ( -269.2714967 Hartree) Energy+ZPE= 217.3 kJ/mol ZPE= 0.0940935 CONNECTIONS: o TS1718 (228.6) o EQ200 o TS1725 (236.0) o EQ201 o TS1726 (453.3) o EQ1313 o TS1727 (596.8) o EQ2193 o UDC66 o
[ EQ202 ]
C1 ENERGY= 228.0 kJ/mol ( -269.2713363 Hartree) Energy+ZPE= 219.2 kJ/mol ZPE= 0.0946858 CONNECTIONS: o TS1728 (243.8) o EQ202 o TS1729 (246.6) o EQ209 o TS1730 (235.2) o EQ224 o TS1731 (241.5) o EQ230 o TS1732 (535.3) o EQ282 o TS1733 (424.6) o EQ1133 o TS1734 (442.7) o EQ1151 o TS1735 (437.0) o EQ1218 o TS1736 (434.4) o EQ1225 o TS1737 (461.8) o EQ1225 o TS1738 (435.9) o EQ1244 o TS1739 (464.8) o EQ1244 o TS1740 (448.1) o EQ1314 o TS1741 (506.9) o EQ1438 o TS1742 (507.5) o EQ1438 o TS1743 (564.5) o EQ2059 o TS1744 (583.4) o EQ2174
[ EQ203 ]
C1 ENERGY= 228.2 kJ/mol ( -269.2712595 Hartree) Energy+ZPE= 216.6 kJ/mol ZPE= 0.0936233 CONNECTIONS: o TS1554 (237.9) o EQ180 o TS1587 (239.6) o EQ185 o TS1745 (475.5) o EQ890 o TS1746 (423.8) o EQ1114 o TS1747 (491.3) o EQ1114 o TS1748 (426.8) o EQ1118 o TS1749 (658.7) o EQ1864 o TS1750 (644.0) o EQ2169
[ EQ204 ]
Cs ENERGY= 228.4 kJ/mol ( -269.2711960 Hartree) Energy+ZPE= 219.5 kJ/mol ZPE= 0.0946526 CONNECTIONS: o TS895 (623.1) o EQ92 o TS1751 (237.8) o EQ205 o TS1752 (249.6) o EQ225 o TS1753 (423.9) o EQ1119 o TS1754 (509.2) o EQ1289 o TS1755 (527.2) o EQ1965 o TS1756 (525.2) o EQ1982 o TS1757 (560.2) o EQ2113 o TS1758 (603.1) o EQ2157 o TS1759 (631.1) o EQ2165 o TS1760 (603.3) o EQ2186 o TS1761 (602.1) o EQ2198
[ EQ205 ]
C1 ENERGY= 228.5 kJ/mol ( -269.2711686 Hartree) Energy+ZPE= 219.6 kJ/mol ZPE= 0.0946470 CONNECTIONS: o TS1070 (471.8) o EQ119 o TS1751 (237.8) o EQ204 o TS1762 (237.3) o EQ205 o TS1763 (433.5) o EQ205 o TS1764 (542.4) o EQ205 o TS1765 (249.0) o EQ227 o TS1766 (250.2) o EQ227 o TS1767 (420.7) o EQ1094 o TS1768 (424.0) o EQ1106 o TS1769 (423.1) o EQ1117 o TS1770 (534.7) o EQ2027 o TS1771 (537.7) o EQ2045 o TS1772 (563.9) o EQ2130 o TS1773 (564.8) o EQ2132 o TS1774 (577.1) o EQ2168 o TS1775 (583.9) o EQ2169 o TS1776 (636.3) o EQ2186 o TS1777 (596.4) o DDC98
[ EQ206 ]
Cs ENERGY= 228.6 kJ/mol ( -269.2711225 Hartree) Energy+ZPE= 221.8 kJ/mol ZPE= 0.0954645 CONNECTIONS: o TS166 (542.0) o EQ14 o TS446 (475.8) o EQ40 o TS1778 (410.1) o EQ373 o TS1779 (351.8) o DDC99 o TS1780 (397.8) o DDC100
[ EQ207 ]
C1 ENERGY= 229.3 kJ/mol ( -269.2708465 Hartree) Energy+ZPE= 220.7 kJ/mol ZPE= 0.0947704 CONNECTIONS: o TS1647 (241.4) o EQ191 o TS1781 (501.3) o EQ207 o TS1782 (233.3) o EQ216 o TS1783 (524.8) o EQ1948 o TS1784 (552.0) o EQ1951 o TS1785 (594.8) o EQ2043 o TS1786 (563.2) o EQ2131 o TS1787 (564.8) o EQ2135 o TS1788 (575.5) o EQ2160
[ EQ208 ]
C1 ENERGY= 229.7 kJ/mol ( -269.2706862 Hartree) Energy+ZPE= 222.4 kJ/mol ZPE= 0.0952473 CONNECTIONS: o TS1579 (248.4) o EQ184 o TS1789 (229.8) o EQ208 o TS1790 (520.7) o EQ511 o TS1791 (576.2) o EQ511 o TS1792 (539.8) o EQ1705 o TS1793 (536.7) o EQ1711 o TS1794 (545.5) o EQ1905 o TS1795 (511.5) o EQ1921 o TS1796 (537.0) o EQ1930 o UDC67 o
[ EQ209 ]
C1 ENERGY= 230.2 kJ/mol ( -269.2705105 Hartree) Energy+ZPE= 221.5 kJ/mol ZPE= 0.0947157 CONNECTIONS: o TS1729 (246.6) o EQ202 o TS1797 (240.4) o EQ230 o TS1798 (242.0) o EQ230 o TS1799 (242.2) o EQ234 o TS1800 (625.3) o EQ244 o TS1801 (425.8) o EQ1151 o TS1802 (437.8) o EQ1218 o TS1803 (452.7) o EQ1244 o TS1804 (436.7) o EQ1256 o TS1805 (437.9) o EQ1270 o TS1806 (507.9) o EQ1493 o TS1807 (512.1) o EQ1493 o TS1808 (533.2) o EQ1655
[ EQ210 ]
Cs ENERGY= 230.3 kJ/mol ( -269.2704787 Hartree) Energy+ZPE= 217.9 kJ/mol ZPE= 0.0933305 CONNECTIONS: o TS1268 (560.4) o EQ145 o TS1809 (234.4) o EQ210 o TS1810 (262.9) o EQ249 o TS1811 (368.5) o EQ629 o TS1812 (410.9) o EQ699 o TS1813 (479.9) o EQ1108
[ EQ211 ]
C1 ENERGY= 230.4 kJ/mol ( -269.2704420 Hartree) Energy+ZPE= 224.9 kJ/mol ZPE= 0.0959220 CONNECTIONS: o TS1495 (527.5) o EQ173 o TS1684 (242.1) o EQ195 o TS1814 (241.0) o EQ217 o TS1815 (524.4) o EQ438 o TS1816 (456.1) o EQ738 o TS1817 (538.3) o EQ1951 o TS1818 (562.2) o EQ2121 o TS1819 (561.1) o EQ2122 o TS1820 (569.8) o EQ2128 o TS1821 (570.2) o EQ2134 o TS1822 (665.6) o DDC101 o UDC68 o
[ EQ212 ]
Cs ENERGY= 230.4 kJ/mol ( -269.2704149 Hartree) Energy+ZPE= 220.5 kJ/mol ZPE= 0.0942832 CONNECTIONS: o TS1823 (238.7) o EQ212 o TS1824 (233.0) o EQ214 o TS1825 (571.4) o EQ795 o TS1826 (456.0) o EQ1276 o TS1827 (689.8) o DDC102
[ EQ213 ]
C1 ENERGY= 230.8 kJ/mol ( -269.2702850 Hartree) Energy+ZPE= 222.6 kJ/mol ZPE= 0.0948942 CONNECTIONS: o TS1828 (237.2) o EQ223 o TS1829 (240.5) o EQ231 o TS1830 (238.8) o EQ235 o TS1831 (242.2) o EQ235 o TS1832 (431.3) o EQ1146 o TS1833 (509.3) o EQ1334 o TS1834 (509.3) o EQ1399 o TS1835 (512.9) o EQ1399 o TS1836 (579.7) o EQ2166 o TS1837 (600.1) o DDC103 o UDC69 o
[ EQ214 ]
Cs ENERGY= 230.8 kJ/mol ( -269.2702635 Hartree) Energy+ZPE= 220.9 kJ/mol ZPE= 0.0942685 CONNECTIONS: o TS1824 (233.0) o EQ212 o TS1838 (239.2) o EQ214 o TS1839 (457.9) o EQ1185 o TS1840 (525.2) o EQ1349 o TS1841 (525.4) o EQ1349 o TS1842 (689.3) o DDC104
[ EQ215 ]
C1 ENERGY= 231.0 kJ/mol ( -269.2702139 Hartree) Energy+ZPE= 222.3 kJ/mol ZPE= 0.0947219 CONNECTIONS: o TS1843 (243.5) o EQ226 o TS1844 (249.4) o EQ229 o TS1845 (238.4) o EQ232 o TS1846 (610.0) o EQ320 o TS1847 (426.8) o EQ1159 o TS1848 (435.2) o EQ1238 o TS1849 (436.2) o EQ1239 o TS1850 (461.8) o EQ1239 o TS1851 (503.3) o EQ1274 o TS1852 (527.5) o EQ1926 o TS1853 (582.3) o EQ2166 o TS1854 (588.0) o EQ2169 o UDC70 o
[ EQ216 ]
C1 ENERGY= 231.4 kJ/mol ( -269.2700436 Hartree) Energy+ZPE= 222.9 kJ/mol ZPE= 0.0948017 CONNECTIONS: o TS1171 (313.1) o EQ133 o TS1648 (238.6) o EQ191 o TS1782 (233.3) o EQ207 o TS1855 (552.5) o EQ1989 o TS1856 (570.2) o EQ2138 o TS1857 (471.9) o DDC105 o UDC71 o
[ EQ217 ]
C1 ENERGY= 231.5 kJ/mol ( -269.2700222 Hartree) Energy+ZPE= 226.0 kJ/mol ZPE= 0.0959411 CONNECTIONS: o TS360 (300.4) o EQ31 o TS1685 (239.2) o EQ195 o TS1814 (241.0) o EQ211 o TS1858 (511.2) o EQ678 o TS1859 (456.2) o EQ713 o TS1860 (518.5) o EQ1920 o TS1861 (520.5) o EQ1920 o TS1862 (559.3) o EQ2117 o TS1863 (560.8) o EQ2124 o TS1864 (570.2) o EQ2134
[ EQ218 ]
Cs ENERGY= 231.8 kJ/mol ( -269.2699113 Hartree) Energy+ZPE= 223.5 kJ/mol ZPE= 0.0948863 CONNECTIONS: o TS1865 (245.5) o EQ218 o TS1866 (258.7) o EQ238 o TS1867 (440.4) o EQ1191 o TS1868 (468.3) o EQ1191 o TS1869 (430.6) o EQ1192 o UDC72 o o UDC73 o
[ EQ219 ]
C1 ENERGY= 232.1 kJ/mol ( -269.2697994 Hartree) Energy+ZPE= 223.2 kJ/mol ZPE= 0.0946402 CONNECTIONS: o TS1679 (234.1) o EQ194 o TS1870 (232.7) o EQ221 o TS1871 (474.8) o EQ1405 o UDC74 o
[ EQ220 ]
C1 ENERGY= 232.1 kJ/mol ( -269.2697948 Hartree) Energy+ZPE= 223.2 kJ/mol ZPE= 0.0946602 CONNECTIONS: o TS1614 (232.4) o EQ187 o TS1872 (234.7) o EQ220 o TS1873 (245.9) o EQ222 o TS1874 (247.4) o EQ222 o TS1875 (502.6) o EQ1005 o TS1876 (425.4) o EQ1129 o TS1877 (519.6) o EQ1154 o TS1878 (550.4) o EQ2061 o TS1879 (552.2) o EQ2103
[ EQ221 ]
C1 ENERGY= 232.2 kJ/mol ( -269.2697509 Hartree) Energy+ZPE= 223.3 kJ/mol ZPE= 0.0946468 CONNECTIONS: o TS1667 (234.3) o EQ193 o TS1870 (232.7) o EQ219 o TS1880 (727.2) o EQ465 o TS1881 (508.3) o EQ1317 o TS1882 (499.5) o EQ1353 o TS1883 (462.9) o EQ1359 o TS1884 (519.4) o EQ1949 o TS1885 (521.3) o EQ1949 o TS1886 (525.5) o EQ1973
[ EQ222 ]
C1 ENERGY= 233.2 kJ/mol ( -269.2693689 Hartree) Energy+ZPE= 223.5 kJ/mol ZPE= 0.0943279 CONNECTIONS: o TS1873 (245.9) o EQ220 o TS1874 (247.4) o EQ220 o TS1887 (235.9) o EQ222 o TS1888 (435.1) o EQ1083 o TS1889 (424.8) o EQ1130 o TS1890 (427.9) o EQ1155 o TS1891 (437.7) o EQ1155 o TS1892 (464.0) o EQ1327 o TS1893 (516.1) o EQ1397 o TS1894 (539.5) o EQ2003 o TS1895 (546.2) o EQ2009 o TS1896 (543.2) o EQ2051 o TS1897 (549.3) o EQ2078 o TS1898 (553.0) o EQ2105
[ EQ223 ]
C1 ENERGY= 233.4 kJ/mol ( -269.2692833 Hartree) Energy+ZPE= 224.7 kJ/mol ZPE= 0.0947287 CONNECTIONS: o TS1828 (237.2) o EQ213 o TS1899 (236.7) o EQ223 o TS1900 (245.1) o EQ235 o TS1901 (596.4) o EQ314 o TS1902 (434.6) o EQ1044 o TS1903 (464.6) o EQ1198 o TS1904 (465.7) o EQ1268 o TS1905 (531.5) o EQ1669 o TS1906 (603.2) o EQ2144
[ EQ224 ]
Cs ENERGY= 233.5 kJ/mol ( -269.2692391 Hartree) Energy+ZPE= 223.3 kJ/mol ZPE= 0.0941336 CONNECTIONS: o TS1730 (235.2) o EQ202 o TS1907 (247.4) o EQ234 o TS1908 (525.9) o EQ297 o TS1909 (430.7) o EQ1133 o TS1910 (429.0) o EQ1177 o TS1911 (441.7) o EQ1213 o TS1912 (439.3) o EQ1273 o TS1913 (507.8) o EQ1418
[ EQ225 ]
Cs ENERGY= 234.3 kJ/mol ( -269.2689580 Hartree) Energy+ZPE= 224.3 kJ/mol ZPE= 0.0942365 CONNECTIONS: o TS1752 (249.6) o EQ204 o TS1914 (244.9) o EQ227 o TS1915 (542.6) o EQ708 o TS1916 (563.7) o EQ795 o TS1917 (513.2) o EQ1051 o TS1918 (429.5) o EQ1179 o TS1919 (620.9) o EQ2159 o TS1920 (666.2) o EQ2334
[ EQ226 ]
C1 ENERGY= 234.4 kJ/mol ( -269.2688926 Hartree) Energy+ZPE= 225.5 kJ/mol ZPE= 0.0946482 CONNECTIONS: o TS1843 (243.5) o EQ215 o TS1921 (242.1) o EQ229 o TS1922 (244.3) o EQ229 o TS1923 (244.5) o EQ253 o TS1924 (454.9) o EQ999 o TS1925 (491.1) o EQ1158 o TS1926 (437.9) o EQ1159 o TS1927 (442.8) o EQ1278 o TS1928 (464.2) o EQ1290 o TS1929 (569.0) o EQ1655 o TS1930 (560.5) o EQ2053 o TS1931 (574.1) o EQ2152 o TS1932 (594.3) o EQ2209 o TS1933 (412.4) o DDC106
[ EQ227 ]
C1 ENERGY= 236.3 kJ/mol ( -269.2681911 Hartree) Energy+ZPE= 226.1 kJ/mol ZPE= 0.0941434 CONNECTIONS: o TS1765 (249.0) o EQ205 o TS1766 (250.2) o EQ205 o TS1914 (244.9) o EQ225 o TS1934 (430.7) o EQ227 o TS1935 (507.9) o EQ1004 o TS1936 (444.0) o EQ1117 o TS1937 (428.5) o EQ1167 o TS1938 (430.5) o EQ1168 o TS1939 (528.8) o EQ1976 o TS1940 (615.6) o EQ2151 o TS1941 (570.5) o EQ2154 o TS1942 (609.1) o DDC107
[ EQ228 ]
C1 ENERGY= 236.3 kJ/mol ( -269.2681797 Hartree) Energy+ZPE= 226.1 kJ/mol ZPE= 0.0941364 CONNECTIONS: o TS1943 (244.1) o EQ228 o TS1944 (253.1) o EQ247 o TS1945 (253.9) o EQ247 o TS1946 (347.3) o EQ529 o TS1947 (352.6) o EQ540 o TS1948 (402.3) o EQ578 o TS1949 (416.2) o EQ716 o TS1950 (398.1) o EQ740 o TS1951 (389.2) o EQ783 o TS1952 (389.9) o EQ785 o TS1953 (495.9) o EQ1071 o TS1954 (491.3) o EQ1280
[ EQ229 ]
C1 ENERGY= 236.7 kJ/mol ( -269.2680173 Hartree) Energy+ZPE= 227.9 kJ/mol ZPE= 0.0946792 CONNECTIONS: o TS1844 (249.4) o EQ215 o TS1921 (242.1) o EQ226 o TS1922 (244.3) o EQ226 o TS1955 (249.3) o EQ253 o TS1956 (431.7) o EQ935 o TS1957 (451.7) o EQ969 o TS1958 (450.1) o EQ1239 o TS1959 (436.9) o EQ1259 o TS1960 (535.1) o EQ1957 o TS1961 (564.5) o EQ2099 o TS1962 (591.1) o EQ2144 o UDC75 o
[ EQ230 ]
C1 ENERGY= 236.9 kJ/mol ( -269.2679627 Hartree) Energy+ZPE= 227.3 kJ/mol ZPE= 0.0943612 CONNECTIONS: o TS1731 (241.5) o EQ202 o TS1797 (240.4) o EQ209 o TS1798 (242.0) o EQ209 o TS1963 (240.2) o EQ234 o TS1964 (432.7) o EQ1218 o TS1965 (442.2) o EQ1314 o TS1966 (444.2) o EQ1357 o TS1967 (513.4) o EQ1508 o TS1968 (514.0) o EQ1508
[ EQ231 ]
C1 ENERGY= 237.2 kJ/mol ( -269.2678247 Hartree) Energy+ZPE= 227.7 kJ/mol ZPE= 0.0944159 CONNECTIONS: o TS1240 (449.1) o EQ141 o TS1829 (240.5) o EQ213 o TS1969 (238.9) o EQ231 o TS1970 (240.7) o EQ235 o TS1971 (613.9) o EQ489 o TS1972 (436.3) o EQ1194 o TS1973 (518.0) o EQ1481 o TS1974 (519.0) o EQ1481 o TS1975 (533.6) o EQ1724
[ EQ232 ]
Cs ENERGY= 237.3 kJ/mol ( -269.2678117 Hartree) Energy+ZPE= 227.1 kJ/mol ZPE= 0.0941382 CONNECTIONS: o TS1230 (562.4) o EQ140 o TS1845 (238.4) o EQ215 o TS1976 (250.9) o EQ253 o TS1977 (433.4) o EQ1216 o TS1978 (442.1) o EQ1302 o TS1979 (466.9) o EQ1302 o TS1980 (504.8) o EQ1317 o TS1981 (538.1) o EQ1973
[ EQ233 ]
Cs ENERGY= 237.5 kJ/mol ( -269.2677090 Hartree) Energy+ZPE= 227.3 kJ/mol ZPE= 0.0941406 CONNECTIONS: o TS1479 (364.3) o EQ171 o TS1982 (243.3) o EQ233 o TS1983 (679.1) o DDC108 o UDC76 o
[ EQ234 ]
C1 ENERGY= 237.7 kJ/mol ( -269.2676439 Hartree) Energy+ZPE= 227.8 kJ/mol ZPE= 0.0942600 CONNECTIONS: o TS1799 (242.2) o EQ209 o TS1907 (247.4) o EQ224 o TS1963 (240.2) o EQ230 o TS1984 (243.6) o EQ234 o TS1985 (750.1) o EQ498 o TS1986 (629.4) o EQ547 o TS1987 (432.5) o EQ1213 o TS1988 (443.0) o EQ1323 o TS1989 (449.3) o EQ1323 o TS1990 (514.3) o EQ1515
[ EQ235 ]
C1 ENERGY= 237.7 kJ/mol ( -269.2676433 Hartree) Energy+ZPE= 228.6 kJ/mol ZPE= 0.0945549 CONNECTIONS: o TS1830 (238.8) o EQ213 o TS1831 (242.2) o EQ213 o TS1900 (245.1) o EQ223 o TS1970 (240.7) o EQ231 o TS1991 (517.2) o EQ1486 o TS1992 (521.6) o EQ1486 o TS1993 (534.1) o EQ1728 o TS1994 (555.4) o EQ1982 o TS1995 (565.4) o EQ2144
[ EQ236 ]
C1 ENERGY= 237.8 kJ/mol ( -269.2676251 Hartree) Energy+ZPE= 226.8 kJ/mol ZPE= 0.0938430 CONNECTIONS: o TS305 (648.5) o EQ27 o TS1996 (237.8) o EQ236 o TS1997 (252.3) o EQ251 o TS1998 (255.9) o EQ257 o TS1999 (540.5) o EQ945 o TS2000 (447.4) o EQ1030 o TS2001 (540.3) o EQ1261 o TS2002 (541.6) o EQ1300 o TS2003 (538.3) o EQ2041
[ EQ237 ]
C1 ENERGY= 238.0 kJ/mol ( -269.2675451 Hartree) Energy+ZPE= 234.3 kJ/mol ZPE= 0.0966211 CONNECTIONS: o TS2004 (524.5) o EQ237 o TS2005 (471.7) o EQ328 o TS2006 (365.1) o EQ582 o TS2007 (500.5) o EQ597 o TS2008 (550.8) o EQ1131 o TS2009 (514.1) o EQ1816 o TS2010 (580.2) o EQ2123
[ EQ238 ]
C1 ENERGY= 238.1 kJ/mol ( -269.2675109 Hartree) Energy+ZPE= 227.4 kJ/mol ZPE= 0.0939714 CONNECTIONS: o TS1866 (258.7) o EQ218 o TS2011 (241.9) o EQ238 o TS2012 (445.5) o EQ1237 o TS2013 (437.3) o EQ1266
[ EQ239 ]
Cs ENERGY= 238.7 kJ/mol ( -269.2672694 Hartree) Energy+ZPE= 233.7 kJ/mol ZPE= 0.0961501 CONNECTIONS: o TS2014 (429.9) o EQ239 o TS2015 (650.7) o EQ245 o TS2016 (580.5) o EQ447 o TS2017 (590.7) o EQ447 o TS2018 (615.1) o DDC109 o TS2019 (629.0) o DDC110
[ EQ240 ]
Cs ENERGY= 238.9 kJ/mol ( -269.2672056 Hartree) Energy+ZPE= 239.4 kJ/mol ZPE= 0.0982373 CONNECTIONS: o TS117 (459.8) o EQ10 o TS2020 (506.2) o EQ413 o TS2021 (478.1) o EQ424 o TS2022 (415.8) o EQ566 o TS2023 (420.7) o EQ920 o TS2024 (513.7) o EQ1000 o TS2025 (556.0) o EQ1702 o TS2026 (496.8) o EQ1704 o TS2027 (590.3) o EQ1873 o TS2028 (577.4) o EQ2096
[ EQ241 ]
Cs ENERGY= 239.1 kJ/mol ( -269.2670983 Hartree) Energy+ZPE= 232.0 kJ/mol ZPE= 0.0953499 CONNECTIONS: o TS825 (482.8) o EQ83 o TS2029 (461.0) o EQ248 o TS2030 (489.2) o EQ248 o TS2031 (268.3) o EQ271 o TS2032 (488.8) o EQ349 o TS2033 (536.4) o EQ1040 o TS2034 (587.0) o EQ1232 o TS2035 (463.0) o EQ1524 o TS2036 (473.2) o EQ1524 o TS2037 (560.3) o EQ1619 o TS2038 (497.4) o EQ1749 o TS2039 (510.2) o EQ1808 o TS2040 (591.4) o DDC111
[ EQ242 ]
Cs ENERGY= 239.7 kJ/mol ( -269.2668969 Hartree) Energy+ZPE= 229.5 kJ/mol ZPE= 0.0941579 CONNECTIONS: o TS2041 (247.0) o EQ242 o TS2042 (492.8) o EQ601 o TS2043 (452.7) o DDC112 o TS2044 (461.6) o DDC113 o UDC77 o
[ EQ243 ]
Cs ENERGY= 240.0 kJ/mol ( -269.2667765 Hartree) Energy+ZPE= 231.8 kJ/mol ZPE= 0.0949271 CONNECTIONS: o TS2045 (248.3) o EQ243 o TS2046 (258.8) o EQ250 o TS2047 (674.7) o EQ583 o TS2048 (446.1) o EQ1385 o TS2049 (477.8) o EQ1400 o TS2050 (651.1) o DDC114
[ EQ244 ]
C1 ENERGY= 240.1 kJ/mol ( -269.2667498 Hartree) Energy+ZPE= 230.9 kJ/mol ZPE= 0.0945238 CONNECTIONS: o TS1800 (625.3) o EQ209 o TS2051 (517.2) o EQ244 o TS2052 (249.6) o EQ246 o TS2053 (249.6) o EQ261 o TS2054 (251.1) o EQ261 o TS2055 (510.5) o EQ261 o TS2056 (511.1) o EQ261 o TS2057 (252.0) o EQ267 o TS2058 (520.8) o EQ268 o TS2059 (517.4) o EQ1297 o TS2060 (522.8) o EQ1583 o TS2061 (511.2) o EQ1923 o TS2062 (553.0) o EQ1925 o TS2063 (548.3) o EQ1929 o TS2064 (548.4) o EQ1929 o TS2065 (554.3) o EQ1929 o TS2066 (513.4) o EQ1931 o TS2067 (517.1) o EQ1931 o TS2068 (545.8) o EQ1934 o TS2069 (520.9) o EQ1961 o TS2070 (558.2) o EQ1967 o TS2071 (722.9) o EQ2074 o TS2072 (637.5) o DDC115
[ EQ245 ]
C1 ENERGY= 240.5 kJ/mol ( -269.2665842 Hartree) Energy+ZPE= 230.3 kJ/mol ZPE= 0.0941643 CONNECTIONS: o TS2015 (650.7) o EQ239 o TS2073 (246.0) o EQ245 o TS2074 (259.1) o EQ251 o TS2075 (250.9) o EQ257 o TS2076 (546.7) o EQ335 o TS2077 (538.6) o EQ1321 o TS2078 (541.9) o EQ2014
[ EQ246 ]
C1 ENERGY= 240.6 kJ/mol ( -269.2665606 Hartree) Energy+ZPE= 230.3 kJ/mol ZPE= 0.0941139 CONNECTIONS: o TS2052 (249.6) o EQ244 o TS2079 (242.2) o EQ246 o TS2080 (525.3) o EQ246 o TS2081 (251.7) o EQ261 o TS2082 (253.1) o EQ270 o TS2083 (592.3) o EQ444 o TS2084 (510.5) o EQ1388 o TS2085 (521.3) o EQ1536 o TS2086 (519.3) o EQ1544 o TS2087 (538.0) o EQ1647 o TS2088 (498.7) o EQ1856 o TS2089 (499.0) o EQ1856 o TS2090 (504.4) o EQ1878 o TS2091 (506.4) o EQ1889 o TS2092 (513.0) o EQ1909 o TS2093 (542.1) o EQ1914 o TS2094 (552.4) o EQ1914 o TS2095 (554.4) o EQ1934 o TS2096 (559.3) o EQ1970 o TS2097 (524.2) o EQ1977 o TS2098 (524.2) o EQ1977 o TS2099 (535.1) o EQ2018
[ EQ247 ]
C1 ENERGY= 240.6 kJ/mol ( -269.2665334 Hartree) Energy+ZPE= 230.2 kJ/mol ZPE= 0.0940712 CONNECTIONS: o TS289 (362.2) o EQ26 o TS1944 (253.1) o EQ228 o TS1945 (253.9) o EQ228 o TS2100 (248.3) o EQ247 o TS2101 (343.4) o EQ514 o TS2102 (357.5) o EQ521 o TS2103 (349.3) o EQ546 o TS2104 (406.1) o EQ792 o TS2105 (398.1) o EQ866 o TS2106 (492.4) o EQ1157 o TS2107 (514.9) o EQ1157 o TS2108 (495.8) o EQ1277 o TS2109 (508.9) o EQ1414
[ EQ248 ]
Cs ENERGY= 240.7 kJ/mol ( -269.2665168 Hartree) Energy+ZPE= 233.6 kJ/mol ZPE= 0.0953491 CONNECTIONS: o TS1483 (377.5) o EQ172 o TS2029 (461.0) o EQ241 o TS2030 (489.2) o EQ241 o TS2110 (268.2) o EQ275 o TS2111 (476.4) o EQ275 o TS2112 (486.2) o EQ349 o TS2113 (582.3) o EQ379 o TS2114 (460.3) o EQ513 o TS2115 (517.9) o EQ818 o TS2116 (526.1) o EQ1749 o TS2117 (650.6) o EQ2236
[ EQ249 ]
Cs ENERGY= 240.9 kJ/mol ( -269.2664274 Hartree) Energy+ZPE= 227.6 kJ/mol ZPE= 0.0929624 CONNECTIONS: o TS36 (415.6) o EQ3 o TS1810 (262.9) o EQ210 o TS2118 (246.0) o EQ249 o TS2119 (513.6) o EQ882 o TS2120 (560.8) o EQ2107 o TS2121 (705.7) o EQ2453
[ EQ250 ]
Cs ENERGY= 241.0 kJ/mol ( -269.2663933 Hartree) Energy+ZPE= 230.9 kJ/mol ZPE= 0.0941967 CONNECTIONS: o TS2046 (258.8) o EQ243 o TS2122 (244.6) o EQ250 o TS2123 (437.5) o EQ1137 o TS2124 (474.4) o EQ1450 o TS2125 (625.2) o DDC116 o TS2126 (635.2) o DDC117
[ EQ251 ]
Cs ENERGY= 242.9 kJ/mol ( -269.2656784 Hartree) Energy+ZPE= 231.0 kJ/mol ZPE= 0.0935001 CONNECTIONS: o TS1997 (252.3) o EQ236 o TS2074 (259.1) o EQ245 o TS2127 (577.2) o EQ456 o TS2128 (514.9) o EQ981
[ EQ252 ]
C1 ENERGY= 244.2 kJ/mol ( -269.2651710 Hartree) Energy+ZPE= 240.2 kJ/mol ZPE= 0.0965285 CONNECTIONS: o TS6 (498.7) o EQ0 o TS28 (517.9) o EQ2 o TS705 (461.4) o EQ68 o TS1335 (602.0) o EQ154 o TS2129 (485.0) o EQ1126 o TS2130 (454.4) o EQ1377 o TS2131 (540.5) o EQ1674 o TS2132 (607.8) o EQ1919 o TS2133 (557.6) o EQ1955 o TS2134 (562.8) o EQ1955 o TS2135 (560.4) o EQ1979 o TS2136 (561.5) o EQ1979 o TS2137 (598.4) o EQ2161 o TS2138 (620.3) o EQ2161
[ EQ253 ]
C1 ENERGY= 244.3 kJ/mol ( -269.2651468 Hartree) Energy+ZPE= 234.4 kJ/mol ZPE= 0.0942671 CONNECTIONS: o TS1923 (244.5) o EQ226 o TS1955 (249.3) o EQ229 o TS1976 (250.9) o EQ232 o TS2139 (440.1) o EQ1290 o TS2140 (534.4) o EQ1949 o TS2141 (564.5) o EQ2078 o TS2142 (571.6) o EQ2153 o UDC78 o
[ EQ254 ]
Cs ENERGY= 244.7 kJ/mol ( -269.2649702 Hartree) Energy+ZPE= 235.6 kJ/mol ZPE= 0.0945871 CONNECTIONS: o TS2143 (252.8) o EQ254 o TS2144 (381.9) o EQ254 o TS2145 (277.1) o EQ289 o TS2146 (537.3) o EQ1706 o TS2147 (520.3) o EQ1747 o TS2148 (530.4) o EQ1766 o TS2149 (538.9) o EQ1766 o TS2150 (558.4) o EQ1882 o TS2151 (585.1) o EQ1969 o TS2152 (589.1) o EQ2032
[ EQ255 ]
Cs ENERGY= 244.8 kJ/mol ( -269.2649277 Hartree) Energy+ZPE= 239.5 kJ/mol ZPE= 0.0960021 CONNECTIONS: o TS2153 (249.8) o EQ255 o TS2154 (540.2) o EQ428 o TS2155 (423.7) o EQ607 o TS2156 (547.4) o EQ1551 o TS2157 (636.3) o EQ2201 o TS2158 (691.4) o EQ2400 o TS2159 (712.9) o EQ2405 o TS2160 (692.7) o EQ2406 o TS2161 (615.3) o DDC118
[ EQ256 ]
Cs ENERGY= 245.4 kJ/mol ( -269.2647269 Hartree) Energy+ZPE= 234.9 kJ/mol ZPE= 0.0940319 CONNECTIONS: o TS2162 (253.5) o EQ259 o TS2163 (251.7) o EQ262 o TS2164 (455.8) o EQ263 o TS2165 (418.5) o EQ380 o TS2166 (530.8) o EQ500 o TS2167 (405.3) o EQ852 o TS2168 (421.7) o EQ967 o TS2169 (549.7) o EQ1991
[ EQ257 ]
C1 ENERGY= 245.6 kJ/mol ( -269.2646274 Hartree) Energy+ZPE= 235.7 kJ/mol ZPE= 0.0942636 CONNECTIONS: o TS1998 (255.9) o EQ236 o TS2075 (250.9) o EQ245 o TS2170 (455.6) o EQ308 o TS2171 (453.9) o EQ1027 o TS2172 (475.6) o EQ1693 o TS2173 (733.8) o EQ2480
[ EQ258 ]
Cs ENERGY= 246.2 kJ/mol ( -269.2644171 Hartree) Energy+ZPE= 236.6 kJ/mol ZPE= 0.0943760 CONNECTIONS: o TS820 (555.8) o EQ82 o TS2174 (261.3) o EQ258 o TS2175 (515.5) o EQ258 o TS2176 (265.2) o EQ276 o TS2177 (441.2) o EQ1291 o TS2178 (639.7) o DDC119 o UDC79 o
[ EQ259 ]
C1 ENERGY= 246.6 kJ/mol ( -269.2642527 Hartree) Energy+ZPE= 235.9 kJ/mol ZPE= 0.0939631 CONNECTIONS: o TS2162 (253.5) o EQ256 o TS2179 (247.7) o EQ259 o TS2180 (251.2) o EQ264 o TS2181 (249.8) o EQ265 o TS2182 (505.4) o EQ303 o TS2183 (414.0) o EQ858 o TS2184 (501.7) o EQ1499
[ EQ260 ]
Cs ENERGY= 247.2 kJ/mol ( -269.2640210 Hartree) Energy+ZPE= 241.3 kJ/mol ZPE= 0.0957961 CONNECTIONS: o TS390 (309.5) o EQ34 o TS2185 (250.3) o EQ260 o TS2186 (541.2) o EQ428 o TS2187 (426.3) o EQ579 o TS2188 (715.2) o DDC120
[ EQ261 ]
C1 ENERGY= 247.3 kJ/mol ( -269.2640082 Hartree) Energy+ZPE= 237.4 kJ/mol ZPE= 0.0942549 CONNECTIONS: o TS2053 (249.6) o EQ244 o TS2054 (251.1) o EQ244 o TS2055 (510.5) o EQ244 o TS2056 (511.1) o EQ244 o TS2081 (251.7) o EQ246 o TS2189 (489.7) o EQ261 o TS2190 (250.9) o EQ267 o TS2191 (531.1) o EQ1642 o TS2192 (521.3) o EQ1931 o TS2193 (518.9) o EQ1961 o TS2194 (522.8) o EQ1961 o TS2195 (601.1) o DDC121 o TS2196 (644.8) o DDC122
[ EQ262 ]
C1 ENERGY= 247.3 kJ/mol ( -269.2639925 Hartree) Energy+ZPE= 237.1 kJ/mol ZPE= 0.0941400 CONNECTIONS: o TS2163 (251.7) o EQ256 o TS2197 (253.5) o EQ262 o TS2198 (255.8) o EQ264 o TS2199 (637.9) o EQ264 o TS2200 (254.9) o EQ265 o TS2201 (576.4) o EQ265 o TS2202 (494.7) o EQ319 o TS2203 (419.1) o EQ790 o TS2204 (404.4) o EQ854 o TS2205 (689.7) o EQ1946
[ EQ263 ]
C1 ENERGY= 247.4 kJ/mol ( -269.2639606 Hartree) Energy+ZPE= 243.1 kJ/mol ZPE= 0.0963896 CONNECTIONS: o TS2164 (455.8) o EQ256 o TS2206 (503.7) o EQ377 o TS2207 (422.6) o EQ380 o TS2208 (453.3) o EQ380 o TS2209 (555.1) o EQ1178 o TS2210 (605.1) o EQ1791 o TS2211 (614.8) o EQ1793 o TS2212 (626.8) o EQ1935 o TS2213 (560.0) o EQ1945 o TS2214 (704.6) o DDC123
[ EQ264 ]
C1 ENERGY= 247.4 kJ/mol ( -269.2639507 Hartree) Energy+ZPE= 236.9 kJ/mol ZPE= 0.0940496 CONNECTIONS: o TS2180 (251.2) o EQ259 o TS2198 (255.8) o EQ262 o TS2199 (637.9) o EQ262 o TS2215 (251.2) o EQ264 o TS2216 (249.7) o EQ265 o TS2217 (556.7) o EQ523 o TS2218 (628.3) o EQ536 o TS2219 (399.0) o EQ763 o TS2220 (424.6) o EQ903 o TS2221 (421.3) o EQ992 o TS2222 (448.4) o EQ1425 o TS2223 (501.5) o EQ1497 o TS2224 (552.0) o DDC124 o UDC80 o
[ EQ265 ]
C1 ENERGY= 248.1 kJ/mol ( -269.2636861 Hartree) Energy+ZPE= 237.9 kJ/mol ZPE= 0.0941502 CONNECTIONS: o TS2181 (249.8) o EQ259 o TS2200 (254.9) o EQ262 o TS2201 (576.4) o EQ262 o TS2216 (249.7) o EQ264 o TS2225 (424.7) o EQ647 o TS2226 (552.1) o EQ701 o TS2227 (413.8) o EQ790 o TS2228 (417.1) o EQ923 o TS2229 (503.6) o EQ1483 o TS2230 (551.9) o EQ1483 o TS2231 (502.0) o EQ1522 o TS2232 (557.7) o EQ2064
[ EQ266 ]
Cs ENERGY= 248.2 kJ/mol ( -269.2636605 Hartree) Energy+ZPE= 242.2 kJ/mol ZPE= 0.0957668 CONNECTIONS: o TS2233 (281.4) o EQ280 o TS2234 (285.8) o EQ330 o TS2235 (510.2) o EQ1755 o TS2236 (507.3) o EQ1899
[ EQ267 ]
C1 ENERGY= 248.4 kJ/mol ( -269.2635624 Hartree) Energy+ZPE= 237.8 kJ/mol ZPE= 0.0940168 CONNECTIONS: o TS2057 (252.0) o EQ244 o TS2190 (250.9) o EQ261 o TS2237 (251.5) o EQ267 o TS2238 (496.3) o EQ267 o TS2239 (498.9) o EQ267 o TS2240 (511.9) o EQ267 o TS2241 (258.3) o EQ270 o TS2242 (526.7) o EQ1605 o TS2243 (533.6) o EQ1644 o TS2244 (507.8) o EQ1903 o TS2245 (508.8) o EQ1911 o TS2246 (519.1) o EQ1956 o TS2247 (521.9) o EQ1956 o TS2248 (518.1) o EQ1958 o TS2249 (558.7) o EQ1968 o TS2250 (560.3) o EQ1974 o TS2251 (535.0) o EQ2018 o TS2252 (646.0) o DDC125 o TS2253 (646.6) o DDC126
[ EQ268 ]
C1 ENERGY= 248.7 kJ/mol ( -269.2634462 Hartree) Energy+ZPE= 240.2 kJ/mol ZPE= 0.0948162 CONNECTIONS: o TS505 (541.1) o EQ45 o TS2058 (520.8) o EQ244 o TS2254 (265.3) o EQ283 o TS2255 (260.7) o EQ284 o TS2256 (519.2) o EQ1632 o TS2257 (524.1) o EQ1636 o TS2258 (539.7) o EQ1843 o TS2259 (540.3) o EQ1860 o TS2260 (539.5) o EQ1874 o TS2261 (555.8) o EQ2091 o TS2262 (569.3) o EQ2091 o TS2263 (555.8) o EQ2097
[ EQ269 ]
Cs ENERGY= 249.7 kJ/mol ( -269.2630602 Hartree) Energy+ZPE= 250.9 kJ/mol ZPE= 0.0984785 CONNECTIONS: o TS660 (383.6) o EQ64 o TS682 (407.2) o EQ67 o TS2264 (534.5) o EQ1739 o TS2265 (541.2) o EQ1739 o UDC81 o
[ EQ270 ]
Cs ENERGY= 251.1 kJ/mol ( -269.2625557 Hartree) Energy+ZPE= 240.2 kJ/mol ZPE= 0.0938919 CONNECTIONS: o TS2082 (253.1) o EQ246 o TS2241 (258.3) o EQ267 o TS2266 (475.8) o EQ270 o TS2267 (520.2) o EQ1557 o TS2268 (506.1) o EQ1893 o TS2269 (512.4) o EQ1927 o TS2270 (521.0) o EQ1960 o TS2271 (530.3) o EQ1960 o TS2272 (565.1) o EQ1981 o TS2273 (532.7) o EQ2018 o TS2274 (533.6) o EQ2018 o TS2275 (649.0) o DDC127
[ EQ271 ]
Cs ENERGY= 251.2 kJ/mol ( -269.2625197 Hartree) Energy+ZPE= 243.0 kJ/mol ZPE= 0.0949102 CONNECTIONS: o TS1083 (613.7) o EQ121 o TS1222 (535.2) o EQ139 o TS2031 (268.3) o EQ241 o TS2276 (476.9) o EQ275 o TS2277 (500.8) o EQ275 o TS2278 (666.1) o EQ513 o TS2279 (527.4) o EQ795 o TS2280 (648.3) o EQ2236
[ EQ272 ]
C1 ENERGY= 251.4 kJ/mol ( -269.2624392 Hartree) Energy+ZPE= 244.1 kJ/mol ZPE= 0.0952487 CONNECTIONS: o TS21 (318.7) o EQ1 o TS506 (253.7) o EQ45 o TS2281 (253.4) o EQ272 o TS2282 (489.9) o EQ1772
[ EQ273 ]
C1 ENERGY= 251.7 kJ/mol ( -269.2623336 Hartree) Energy+ZPE= 247.2 kJ/mol ZPE= 0.0963273 CONNECTIONS: o TS226 (310.1) o EQ20 o TS2283 (265.1) o EQ273 o TS2284 (647.2) o EQ322 o TS2285 (409.9) o EQ488 o TS2286 (630.9) o EQ1703 o TS2287 (529.0) o EQ1940 o TS2288 (531.2) o EQ1963
[ EQ274 ]
Cs ENERGY= 252.0 kJ/mol ( -269.2622012 Hartree) Energy+ZPE= 243.7 kJ/mol ZPE= 0.0948880 CONNECTIONS: o TS22 (302.9) o EQ1 o TS2289 (258.2) o EQ274 o TS2290 (414.1) o EQ488 o TS2291 (470.3) o EQ1630
[ EQ275 ]
Cs ENERGY= 252.2 kJ/mol ( -269.2621228 Hartree) Energy+ZPE= 244.0 kJ/mol ZPE= 0.0949036 CONNECTIONS: o TS2110 (268.2) o EQ248 o TS2111 (476.4) o EQ248 o TS2276 (476.9) o EQ271 o TS2277 (500.8) o EQ271 o TS2292 (479.4) o EQ371 o TS2293 (481.3) o EQ513 o TS2294 (457.3) o EQ1524 o TS2295 (630.9) o EQ2190 o TS2296 (590.5) o EQ2202
[ EQ276 ]
C1 ENERGY= 252.4 kJ/mol ( -269.2620588 Hartree) Energy+ZPE= 241.1 kJ/mol ZPE= 0.0937135 CONNECTIONS: o TS2176 (265.2) o EQ258 o TS2297 (252.4) o EQ276 o TS2298 (257.7) o EQ276 o TS2299 (508.8) o EQ597 o TS2300 (452.5) o EQ1203 o TS2301 (454.2) o EQ1376 o TS2302 (470.9) o EQ1376
[ EQ277 ]
C1 ENERGY= 253.3 kJ/mol ( -269.2617210 Hartree) Energy+ZPE= 245.6 kJ/mol ZPE= 0.0951178 CONNECTIONS: o TS2303 (253.3) o EQ277 o TS2304 (510.5) o EQ402 o TS2305 (604.8) o EQ439 o TS2306 (486.1) o EQ837 o TS2307 (516.2) o EQ1565 o TS2308 (593.2) o EQ1580 o TS2309 (518.3) o EQ1597 o TS2310 (503.9) o EQ1668 o TS2311 (527.1) o EQ1668 o TS2312 (670.2) o DDC128 o TS2313 (671.1) o DDC129
[ EQ278 ]
Cs ENERGY= 254.5 kJ/mol ( -269.2612545 Hartree) Energy+ZPE= 247.6 kJ/mol ZPE= 0.0954124 CONNECTIONS: o TS2314 (281.4) o EQ292 o TS2315 (288.0) o EQ303 o TS2316 (396.5) o EQ591 o TS2317 (516.5) o EQ784 o TS2318 (632.0) o EQ2270 o UDC82 o
[ EQ279 ]
C1 ENERGY= 254.6 kJ/mol ( -269.2612139 Hartree) Energy+ZPE= 254.3 kJ/mol ZPE= 0.0979370 CONNECTIONS: o TS2319 (470.7) o EQ279 o TS2320 (427.2) o EQ566 o TS2321 (421.6) o EQ920 o TS2322 (569.1) o EQ2013 o TS2323 (581.6) o EQ2013 o TS2324 (575.8) o EQ2043 o TS2325 (587.3) o EQ2043 o TS2326 (620.6) o EQ2240 o TS2327 (615.2) o DDC130
[ EQ280 ]
C1 ENERGY= 255.3 kJ/mol ( -269.2609383 Hartree) Energy+ZPE= 248.5 kJ/mol ZPE= 0.0954444 CONNECTIONS: o TS361 (389.8) o EQ31 o TS2233 (281.4) o EQ266 o TS2328 (397.7) o EQ280 o TS2329 (287.7) o EQ332 o TS2330 (401.4) o EQ587 o TS2331 (403.1) o EQ587
[ EQ281 ]
C1 ENERGY= 256.5 kJ/mol ( -269.2605034 Hartree) Energy+ZPE= 246.6 kJ/mol ZPE= 0.0942757 CONNECTIONS: o TS2332 (273.6) o EQ282 o TS2333 (269.2) o EQ293 o TS2334 (266.3) o EQ302 o TS2335 (271.8) o EQ336 o TS2336 (558.0) o EQ1022 o TS2337 (556.6) o EQ1095 o TS2338 (446.0) o EQ1382 o TS2339 (452.4) o EQ1408 o TS2340 (453.4) o EQ1472 o TS2341 (453.8) o EQ1472 o TS2342 (553.2) o EQ1965 o TS2343 (588.3) o EQ2181 o TS2344 (596.3) o EQ2188 o TS2345 (591.8) o EQ2196 o TS2346 (638.2) o EQ2241 o TS2347 (523.6) o DDC131
[ EQ282 ]
C1 ENERGY= 256.5 kJ/mol ( -269.2604689 Hartree) Energy+ZPE= 246.3 kJ/mol ZPE= 0.0941671 CONNECTIONS: o TS1732 (535.3) o EQ202 o TS2332 (273.6) o EQ281 o TS2348 (267.0) o EQ293 o TS2349 (262.7) o EQ297 o TS2350 (275.2) o EQ313 o TS2351 (445.7) o EQ1320 o TS2352 (450.9) o EQ1364 o TS2353 (453.0) o EQ1433 o TS2354 (567.9) o EQ2146 o TS2355 (586.0) o EQ2175 o TS2356 (585.2) o EQ2178
[ EQ283 ]
C1 ENERGY= 256.8 kJ/mol ( -269.2603758 Hartree) Energy+ZPE= 248.2 kJ/mol ZPE= 0.0947536 CONNECTIONS: o TS338 (540.2) o EQ29 o TS2254 (265.3) o EQ268 o TS2357 (259.5) o EQ284 o TS2358 (582.6) o EQ523 o TS2359 (467.2) o EQ1028 o TS2360 (526.4) o EQ1580 o TS2361 (535.0) o EQ1875 o TS2362 (534.2) o EQ1885 o TS2363 (551.1) o EQ1948 o TS2364 (584.3) o EQ2056 o TS2365 (558.8) o EQ2070 o TS2366 (558.8) o EQ2086 o TS2367 (660.4) o EQ2318 o TS2368 (827.7) o EQ2407 o TS2369 (657.5) o DDC132
[ EQ284 ]
C1 ENERGY= 257.6 kJ/mol ( -269.2600871 Hartree) Energy+ZPE= 249.1 kJ/mol ZPE= 0.0948090 CONNECTIONS: o TS250 (488.0) o EQ23 o TS2255 (260.7) o EQ268 o TS2357 (259.5) o EQ283 o TS2370 (560.5) o EQ2077
[ EQ285 ]
C1 ENERGY= 257.6 kJ/mol ( -269.2600688 Hartree) Energy+ZPE= 246.0 kJ/mol ZPE= 0.0936327 CONNECTIONS: o TS2371 (263.3) o EQ285 o TS2372 (263.3) o EQ290 o TS2373 (264.9) o EQ291 o TS2374 (267.9) o EQ311 o TS2375 (599.8) o EQ476 o TS2376 (634.2) o EQ555 o TS2377 (571.8) o EQ583 o TS2378 (415.4) o EQ1037 o TS2379 (416.8) o EQ1068 o TS2380 (419.6) o EQ1082 o TS2381 (426.9) o EQ1103 o TS2382 (507.3) o EQ1131 o TS2383 (426.7) o EQ1140 o TS2384 (441.4) o EQ1267 o TS2385 (506.4) o EQ1429 o TS2386 (508.8) o EQ1429 o TS2387 (509.1) o EQ1429 o UDC83 o
[ EQ286 ]
C1 ENERGY= 258.0 kJ/mol ( -269.2599355 Hartree) Energy+ZPE= 255.4 kJ/mol ZPE= 0.0970419 CONNECTIONS: o TS864 (544.6) o EQ88 o TS2388 (278.2) o EQ296 o TS2389 (279.5) o EQ296 o TS2390 (402.3) o EQ296 o TS2391 (413.8) o EQ408 o TS2392 (487.8) o EQ702 o TS2393 (548.8) o EQ1309 o TS2394 (531.2) o EQ1417 o TS2395 (497.9) o EQ1420 o TS2396 (559.3) o EQ1720 o TS2397 (604.4) o EQ2183
[ EQ287 ]
Cs ENERGY= 258.0 kJ/mol ( -269.2599119 Hartree) Energy+ZPE= 253.5 kJ/mol ZPE= 0.0963118 CONNECTIONS: o TS880 (374.3) o EQ90 o TS2398 (526.4) o EQ865 o TS2399 (531.1) o EQ1840 o TS2400 (542.0) o EQ2034 o TS2401 (584.9) o EQ2172
[ EQ288 ]
Cs ENERGY= 258.6 kJ/mol ( -269.2596950 Hartree) Energy+ZPE= 249.7 kJ/mol ZPE= 0.0946619 CONNECTIONS: o TS2402 (261.9) o EQ288 o TS2403 (485.8) o EQ288 o TS2404 (286.9) o EQ301 o TS2405 (576.5) o EQ588 o TS2406 (737.9) o EQ590 o UDC84 o
[ EQ289 ]
Cs ENERGY= 259.3 kJ/mol ( -269.2594284 Hartree) Energy+ZPE= 248.6 kJ/mol ZPE= 0.0939776 CONNECTIONS: o TS2145 (277.1) o EQ254 o TS2407 (263.0) o EQ289 o TS2408 (546.3) o EQ1883 o TS2409 (642.7) o DDC133 o TS2410 (650.7) o DDC134
[ EQ290 ]
C1 ENERGY= 259.7 kJ/mol ( -269.2592627 Hartree) Energy+ZPE= 248.5 kJ/mol ZPE= 0.0937846 CONNECTIONS: o TS2372 (263.3) o EQ285 o TS2411 (262.9) o EQ291 o TS2412 (269.1) o EQ291 o TS2413 (270.6) o EQ311 o TS2414 (541.6) o EQ398 o TS2415 (555.0) o EQ404 o TS2416 (437.7) o EQ781 o TS2417 (414.7) o EQ892 o TS2418 (415.7) o EQ1043 o TS2419 (416.6) o EQ1068 o TS2420 (428.5) o EQ1068 o TS2421 (421.2) o EQ1074 o TS2422 (424.2) o EQ1075 o TS2423 (431.5) o EQ1174 o TS2424 (509.8) o EQ1499 o TS2425 (512.5) o EQ1499 o TS2426 (596.8) o DDC135
[ EQ291 ]
C1 ENERGY= 260.2 kJ/mol ( -269.2590883 Hartree) Energy+ZPE= 248.8 kJ/mol ZPE= 0.0936992 CONNECTIONS: o TS2373 (264.9) o EQ285 o TS2411 (262.9) o EQ290 o TS2412 (269.1) o EQ290 o TS2427 (267.5) o EQ311 o TS2428 (417.5) o EQ1058 o TS2429 (418.0) o EQ1068 o TS2430 (423.4) o EQ1091 o TS2431 (432.2) o EQ1165 o TS2432 (511.9) o EQ1532 o TS2433 (492.6) o EQ1637
[ EQ292 ]
Cs ENERGY= 260.7 kJ/mol ( -269.2589055 Hartree) Energy+ZPE= 253.0 kJ/mol ZPE= 0.0950970 CONNECTIONS: o TS2314 (281.4) o EQ278 o TS2434 (496.7) o EQ292 o TS2435 (294.6) o EQ333 o TS2436 (404.5) o EQ630 o TS2437 (742.7) o EQ782 o TS2438 (444.8) o EQ901 o UDC85 o
[ EQ293 ]
C1 ENERGY= 260.8 kJ/mol ( -269.2588641 Hartree) Energy+ZPE= 249.8 kJ/mol ZPE= 0.0938369 CONNECTIONS: o TS401 (530.9) o EQ35 o TS2333 (269.2) o EQ281 o TS2348 (267.0) o EQ282 o TS2439 (263.6) o EQ295 o TS2440 (267.9) o EQ299 o TS2441 (450.9) o EQ1406 o TS2442 (492.2) o EQ1406 o TS2443 (457.6) o EQ1449 o TS2444 (455.5) o EQ1513 o TS2445 (588.4) o EQ2177 o TS2446 (593.7) o EQ2187
[ EQ294 ]
C1 ENERGY= 260.8 kJ/mol ( -269.2588365 Hartree) Energy+ZPE= 251.2 kJ/mol ZPE= 0.0943714 CONNECTIONS: o TS2447 (262.2) o EQ294 o TS2448 (273.7) o EQ298 o TS2449 (273.4) o EQ300 o TS2450 (516.1) o EQ467 o TS2451 (573.0) o EQ766 o TS2452 (498.2) o EQ843 o TS2453 (480.7) o EQ907 o TS2454 (484.8) o EQ1026 o TS2455 (489.2) o EQ1505 o TS2456 (498.8) o EQ1592 o TS2457 (503.6) o EQ1592 o TS2458 (553.2) o EQ1592 o TS2459 (537.6) o DDC136 o TS8247 (652.5) o xx
[ EQ295 ]
C1 ENERGY= 261.4 kJ/mol ( -269.2586131 Hartree) Energy+ZPE= 250.3 kJ/mol ZPE= 0.0938149 CONNECTIONS: o TS2439 (263.6) o EQ293 o TS2460 (272.2) o EQ297 o TS2461 (270.3) o EQ299 o TS2462 (269.4) o EQ302 o TS2463 (640.0) o EQ320 o TS2464 (450.5) o EQ1447 o TS2465 (457.0) o EQ1459 o TS2466 (459.8) o EQ1519 o TS2467 (654.2) o EQ2146 o TS2468 (586.8) o EQ2173 o TS2469 (592.9) o EQ2179 o TS2470 (595.5) o EQ2184 o TS2471 (589.9) o EQ2185
[ EQ296 ]
C1 ENERGY= 261.4 kJ/mol ( -269.2586047 Hartree) Energy+ZPE= 258.1 kJ/mol ZPE= 0.0967717 CONNECTIONS: o TS51 (409.7) o EQ4 o TS432 (438.6) o EQ38 o TS826 (541.6) o EQ83 o TS2388 (278.2) o EQ286 o TS2389 (279.5) o EQ286 o TS2390 (402.3) o EQ286 o TS2472 (412.0) o EQ408 o TS2473 (536.8) o EQ1214 o TS2474 (477.7) o EQ1269 o TS2475 (631.1) o EQ2219
[ EQ297 ]
C1 ENERGY= 261.5 kJ/mol ( -269.2585663 Hartree) Energy+ZPE= 250.5 kJ/mol ZPE= 0.0938356 CONNECTIONS: o TS1908 (525.9) o EQ224 o TS2349 (262.7) o EQ282 o TS2460 (272.2) o EQ295 o TS2476 (274.1) o EQ302 o TS2477 (268.8) o EQ313 o TS2478 (448.5) o EQ1326 o TS2479 (527.5) o EQ1417 o TS2480 (458.1) o EQ1491 o TS2481 (458.1) o EQ1492 o TS2482 (516.5) o EQ1944 o TS2483 (550.1) o EQ2009 o TS2484 (587.0) o EQ2176 o TS2485 (596.5) o EQ2184
[ EQ298 ]
C1 ENERGY= 262.0 kJ/mol ( -269.2583836 Hartree) Energy+ZPE= 252.4 kJ/mol ZPE= 0.0943737 CONNECTIONS: o TS2448 (273.7) o EQ294 o TS2486 (263.8) o EQ300 o TS2487 (269.5) o EQ300 o TS2488 (615.2) o EQ623 o TS2489 (514.0) o EQ907 o TS2490 (501.3) o EQ1527 o TS2491 (555.1) o EQ1527 o TS2492 (505.8) o EQ1592 o TS2493 (554.6) o EQ1609 o UDC86 o
[ EQ299 ]
C1 ENERGY= 262.6 kJ/mol ( -269.2581815 Hartree) Energy+ZPE= 252.0 kJ/mol ZPE= 0.0940023 CONNECTIONS: o TS1384 (524.9) o EQ159 o TS2440 (267.9) o EQ293 o TS2461 (270.3) o EQ295 o TS2494 (564.1) o EQ320 o TS2495 (277.7) o EQ336 o TS2496 (566.9) o EQ960 o TS2497 (451.9) o EQ1463 o TS2498 (452.5) o EQ1473 o TS2499 (560.6) o EQ2007 o TS2500 (596.3) o EQ2207 o TS2501 (597.4) o EQ2213 o TS2502 (598.7) o EQ2214
[ EQ300 ]
C1 ENERGY= 262.6 kJ/mol ( -269.2581631 Hartree) Energy+ZPE= 253.0 kJ/mol ZPE= 0.0943710 CONNECTIONS: o TS2449 (273.4) o EQ294 o TS2486 (263.8) o EQ298 o TS2487 (269.5) o EQ298 o TS2503 (550.5) o EQ487 o TS2504 (527.9) o EQ1026 o TS2505 (552.0) o EQ1505 o TS2506 (502.0) o EQ1650
[ EQ301 ]
Cs ENERGY= 262.7 kJ/mol ( -269.2581224 Hartree) Energy+ZPE= 253.9 kJ/mol ZPE= 0.0947019 CONNECTIONS: o TS2404 (286.9) o EQ288 o TS2507 (266.2) o EQ301 o TS2508 (672.4) o DDC137 o UDC87 o
[ EQ302 ]
C1 ENERGY= 262.8 kJ/mol ( -269.2580861 Hartree) Energy+ZPE= 251.9 kJ/mol ZPE= 0.0939001 CONNECTIONS: o TS2334 (266.3) o EQ281 o TS2462 (269.4) o EQ295 o TS2476 (274.1) o EQ297 o TS2509 (464.3) o EQ302 o TS2510 (272.3) o EQ336 o TS2511 (450.7) o EQ1379 o TS2512 (459.7) o EQ1466 o TS2513 (457.9) o EQ1516 o TS2514 (545.8) o EQ2003 o TS2515 (588.5) o EQ2180 o TS2516 (597.1) o EQ2192 o TS2517 (603.1) o EQ2205
[ EQ303 ]
Cs ENERGY= 263.0 kJ/mol ( -269.2579994 Hartree) Energy+ZPE= 255.7 kJ/mol ZPE= 0.0952548 CONNECTIONS: o TS2182 (505.4) o EQ259 o TS2315 (288.0) o EQ278 o TS2518 (290.3) o EQ333 o TS2519 (409.3) o EQ603 o TS2520 (413.5) o EQ633 o TS2521 (407.6) o EQ705 o TS2522 (527.6) o EQ1518
[ EQ304 ]
Cs ENERGY= 263.4 kJ/mol ( -269.2578772 Hartree) Energy+ZPE= 256.1 kJ/mol ZPE= 0.0952405 CONNECTIONS: o TS1052 (530.7) o EQ116 o TS2523 (287.4) o EQ310 o TS2524 (291.1) o EQ334 o TS2525 (385.7) o EQ487 o TS2526 (448.0) o EQ526 o TS2527 (417.9) o EQ839 o TS2528 (631.0) o EQ2310 o TS2529 (630.8) o EQ2312
[ EQ305 ]
C1 ENERGY= 263.6 kJ/mol ( -269.2577885 Hartree) Energy+ZPE= 254.4 kJ/mol ZPE= 0.0945316 CONNECTIONS: o TS721 (499.9) o EQ69 o TS2530 (273.8) o EQ305 o TS2531 (469.6) o EQ1038 o TS2532 (459.6) o EQ1504 o TS2533 (513.6) o EQ1523 o TS2534 (464.9) o EQ1561 o TS2535 (728.4) o DDC138
[ EQ306 ]
C1 ENERGY= 263.6 kJ/mol ( -269.2577828 Hartree) Energy+ZPE= 255.9 kJ/mol ZPE= 0.0950853 CONNECTIONS: o TS2536 (464.1) o EQ306 o TS2537 (274.5) o EQ320 o TS2538 (275.5) o EQ320 o TS2539 (522.4) o EQ696 o TS2540 (716.2) o EQ1337 o TS2541 (465.8) o EQ1615 o TS2542 (512.0) o EQ1752 o TS2543 (530.6) o EQ1832 o TS2544 (561.7) o EQ1902 o TS2545 (533.9) o DDC139 o TS2546 (740.3) o DDC140
[ EQ307 ]
Cs ENERGY= 263.8 kJ/mol ( -269.2577258 Hartree) Energy+ZPE= 248.4 kJ/mol ZPE= 0.0921650 CONNECTIONS: o TS2547 (266.6) o EQ307 o TS2548 (271.8) o EQ307 o TS2549 (265.1) o DDC141 o TS2550 (504.5) o DDC142
[ EQ308 ]
C1 ENERGY= 264.3 kJ/mol ( -269.2575177 Hartree) Energy+ZPE= 255.3 kJ/mol ZPE= 0.0946007 CONNECTIONS: o TS858 (544.5) o EQ87 o TS2170 (455.6) o EQ257 o TS2551 (272.9) o EQ308 o TS2552 (478.5) o EQ914 o TS2553 (557.3) o EQ1736 o TS2554 (581.8) o EQ1794
[ EQ309 ]
Cs ENERGY= 264.3 kJ/mol ( -269.2575076 Hartree) Energy+ZPE= 255.6 kJ/mol ZPE= 0.0947323 CONNECTIONS: o TS2555 (524.2) o EQ309 o TS2556 (282.4) o EQ312 o TS2557 (290.5) o EQ338 o TS2558 (531.7) o EQ843
[ EQ310 ]
Cs ENERGY= 264.3 kJ/mol ( -269.2575073 Hartree) Energy+ZPE= 257.3 kJ/mol ZPE= 0.0953745 CONNECTIONS: o TS2523 (287.4) o EQ304 o TS2559 (290.4) o EQ337 o TS2560 (442.7) o EQ509 o TS2561 (394.0) o EQ690 o TS2562 (518.7) o EQ1609 o TS2563 (637.4) o EQ2260 o TS2564 (640.5) o EQ2288 o TS2565 (634.8) o EQ2302
[ EQ311 ]
C1 ENERGY= 264.4 kJ/mol ( -269.2574659 Hartree) Energy+ZPE= 253.2 kJ/mol ZPE= 0.0937804 CONNECTIONS: o TS2374 (267.9) o EQ285 o TS2413 (270.6) o EQ290 o TS2427 (267.5) o EQ291 o TS2566 (269.9) o EQ311 o TS2567 (544.5) o EQ420 o TS2568 (424.6) o EQ987 o TS2569 (421.6) o EQ1084 o TS2570 (431.9) o EQ1187 o TS2571 (519.8) o EQ1522
[ EQ312 ]
Cs ENERGY= 264.5 kJ/mol ( -269.2574584 Hartree) Energy+ZPE= 255.1 kJ/mol ZPE= 0.0944694 CONNECTIONS: o TS2556 (282.4) o EQ309 o TS2572 (464.2) o EQ312 o TS2573 (292.2) o EQ326 o TS2574 (501.7) o EQ634 o TS2575 (551.4) o EQ1045 o TS2576 (604.6) o DDC143
[ EQ313 ]
C1 ENERGY= 264.8 kJ/mol ( -269.2573155 Hartree) Energy+ZPE= 254.4 kJ/mol ZPE= 0.0940800 CONNECTIONS: o TS2350 (275.2) o EQ282 o TS2477 (268.8) o EQ297 o TS2577 (277.1) o EQ336 o TS2578 (562.9) o EQ1009 o TS2579 (574.6) o EQ1240 o TS2580 (546.4) o EQ1310 o TS2581 (452.5) o EQ1402 o TS2582 (454.4) o EQ1468 o TS2583 (536.0) o EQ1470 o TS2584 (552.3) o EQ2022 o TS2585 (550.8) o EQ2023 o TS2586 (578.9) o EQ2146 o TS2587 (567.3) o EQ2147 o TS2588 (593.6) o EQ2189 o TS2589 (590.6) o EQ2199 o TS2590 (596.9) o EQ2211
[ EQ314 ]
C1 ENERGY= 265.0 kJ/mol ( -269.2572512 Hartree) Energy+ZPE= 256.0 kJ/mol ZPE= 0.0946238 CONNECTIONS: o TS849 (354.0) o EQ86 o TS1014 (476.5) o EQ111 o TS1901 (596.4) o EQ223 o TS2591 (608.6) o EQ314 o TS2592 (560.9) o EQ320 o TS2593 (276.1) o EQ342 o TS2594 (281.9) o EQ342 o TS2595 (581.1) o EQ784 o TS2596 (463.2) o EQ1469 o TS2597 (468.1) o EQ1498 o TS2598 (461.5) o EQ1566 o TS2599 (471.5) o EQ1637 o TS2600 (546.5) o EQ1802 o TS2601 (510.8) o EQ1825 o TS2602 (518.3) o EQ1834 o TS2603 (519.5) o EQ1839 o TS2604 (520.7) o EQ1853 o TS2605 (576.0) o EQ2154 o TS2606 (604.0) o EQ2209
[ EQ315 ]
Cs ENERGY= 265.0 kJ/mol ( -269.2572441 Hartree) Energy+ZPE= 257.1 kJ/mol ZPE= 0.0950137 CONNECTIONS: o TS37 (318.3) o EQ3 o TS2607 (271.7) o EQ315 o TS2608 (432.2) o EQ607 o TS2609 (420.2) o EQ997 o TS2610 (556.9) o EQ1964
[ EQ316 ]
C1 ENERGY= 265.0 kJ/mol ( -269.2572323 Hartree) Energy+ZPE= 256.0 kJ/mol ZPE= 0.0946185 CONNECTIONS: o TS2611 (546.9) o EQ1655 o TS2612 (542.3) o EQ1818
[ EQ317 ]
Cs ENERGY= 265.1 kJ/mol ( -269.2572186 Hartree) Energy+ZPE= 255.7 kJ/mol ZPE= 0.0944443 CONNECTIONS: o TS2613 (277.5) o EQ319 o TS2614 (289.9) o EQ347 o TS2615 (457.4) o EQ1496 o TS2616 (560.2) o EQ1643
[ EQ318 ]
C1 ENERGY= 265.4 kJ/mol ( -269.2571139 Hartree) Energy+ZPE= 261.3 kJ/mol ZPE= 0.0964737 CONNECTIONS: o TS2617 (543.0) o EQ318 o TS2618 (400.5) o EQ671 o TS2619 (685.3) o DDC144
[ EQ319 ]
C1 ENERGY= 265.9 kJ/mol ( -269.2569196 Hartree) Energy+ZPE= 257.0 kJ/mol ZPE= 0.0946282 CONNECTIONS: o TS2202 (494.7) o EQ262 o TS2613 (277.5) o EQ317 o TS2620 (543.2) o EQ319 o TS2621 (286.4) o EQ335 o TS2622 (288.0) o EQ335 o TS2623 (299.6) o EQ335 o TS2624 (732.6) o EQ350 o TS2625 (568.9) o EQ1122 o TS2626 (516.9) o EQ1950 o TS2627 (618.2) o EQ2255 o TS2628 (640.0) o EQ2259 o TS2629 (645.8) o EQ2323
[ EQ320 ]
C1 ENERGY= 266.5 kJ/mol ( -269.2566710 Hartree) Energy+ZPE= 258.5 kJ/mol ZPE= 0.0949903 CONNECTIONS: o TS1059 (539.6) o EQ117 o TS1846 (610.0) o EQ215 o TS2463 (640.0) o EQ295 o TS2494 (564.1) o EQ299 o TS2537 (274.5) o EQ306 o TS2538 (275.5) o EQ306 o TS2592 (560.9) o EQ314 o TS2630 (530.1) o EQ320 o TS2631 (835.9) o EQ321 o TS2632 (519.8) o EQ663 o TS2633 (514.8) o EQ1046 o TS2634 (477.1) o EQ1615 o TS2635 (468.4) o EQ1638 o TS2636 (529.8) o EQ1820 o TS2637 (556.4) o EQ1857 o TS2638 (565.2) o EQ1879 o TS2639 (562.5) o EQ1896 o TS2640 (559.4) o EQ1897 o TS2641 (553.6) o EQ2103 o TS2642 (610.4) o EQ2234 o TS2643 (590.4) o DDC145
[ EQ321 ]
C1 ENERGY= 267.1 kJ/mol ( -269.2564507 Hartree) Energy+ZPE= 258.3 kJ/mol ZPE= 0.0946919 CONNECTIONS: o TS2631 (835.9) o EQ320 o TS2644 (274.8) o EQ321 o TS2645 (284.0) o EQ321 o TS2646 (651.7) o EQ563 o TS2647 (490.2) o EQ1045 o TS2648 (499.7) o EQ1170 o TS2649 (460.9) o EQ1559 o TS2650 (504.5) o EQ1559 o TS2651 (466.8) o EQ1596 o TS2652 (469.2) o EQ1596 o TS2653 (468.2) o EQ1627 o TS2654 (520.1) o EQ1627 o TS2655 (559.8) o EQ2119 o TS2656 (522.1) o DDC146 o TS2657 (739.1) o DDC147 o UDC88 o
[ EQ322 ]
Cs ENERGY= 267.3 kJ/mol ( -269.2563661 Hartree) Energy+ZPE= 255.0 kJ/mol ZPE= 0.0933461 CONNECTIONS: o TS810 (512.2) o EQ81 o TS2284 (647.2) o EQ273 o TS2658 (275.4) o EQ322 o TS2659 (285.4) o EQ346 o TS2660 (610.9) o EQ2251 o TS2661 (616.6) o EQ2257 o TS2662 (655.1) o EQ2337 o TS2663 (620.7) o DDC148
[ EQ323 ]
Cs ENERGY= 267.6 kJ/mol ( -269.2562745 Hartree) Energy+ZPE= 259.1 kJ/mol ZPE= 0.0948169 CONNECTIONS: o TS2664 (273.0) o EQ323 o TS2665 (270.6) o EQ324 o TS2666 (518.3) o EQ1089 o TS2667 (518.1) o EQ1350 o TS2668 (498.2) o EQ1780
[ EQ324 ]
Cs ENERGY= 267.9 kJ/mol ( -269.2561433 Hartree) Energy+ZPE= 259.4 kJ/mol ZPE= 0.0947920 CONNECTIONS: o TS2665 (270.6) o EQ323 o TS2669 (273.4) o EQ324 o TS2670 (500.1) o EQ1681 o TS2671 (555.1) o EQ1780
[ EQ325 ]
C1 ENERGY= 268.0 kJ/mol ( -269.2561186 Hartree) Energy+ZPE= 259.2 kJ/mol ZPE= 0.0946953 CONNECTIONS: o TS1364 (485.8) o EQ158 o TS2672 (274.0) o EQ339 o TS2673 (276.0) o EQ341 o TS2674 (289.7) o EQ345 o TS2675 (290.6) o EQ345 o TS2676 (625.8) o EQ345 o TS2677 (420.3) o EQ587 o TS2678 (424.4) o EQ587 o TS2679 (398.1) o EQ705 o TS2680 (400.1) o EQ836 o TS2681 (415.4) o EQ925 o TS2682 (420.8) o EQ1022 o TS2683 (537.3) o EQ1095 o TS2684 (452.8) o EQ1132 o TS2685 (549.3) o EQ1820 o TS2686 (618.0) o EQ2262 o TS2687 (620.0) o EQ2265 o TS2688 (635.7) o EQ2282 o TS2689 (523.9) o DDC149 o TS2690 (596.8) o DDC150
[ EQ326 ]
Cs ENERGY= 268.2 kJ/mol ( -269.2560293 Hartree) Energy+ZPE= 258.9 kJ/mol ZPE= 0.0944996 CONNECTIONS: o TS2573 (292.2) o EQ312 o TS2691 (666.7) o EQ326 o TS2692 (291.2) o EQ338 o TS2693 (418.6) o EQ690 o TS2694 (410.2) o EQ714 o TS2695 (424.1) o EQ816 o TS2696 (614.2) o EQ843 o TS2697 (530.4) o EQ1776
[ EQ327 ]
C1 ENERGY= 268.2 kJ/mol ( -269.2560274 Hartree) Energy+ZPE= 258.6 kJ/mol ZPE= 0.0943684 CONNECTIONS: o TS1127 (487.9) o EQ126 o TS2698 (279.2) o EQ327 o TS2699 (499.6) o EQ977 o TS2700 (490.6) o EQ1008 o TS2701 (464.0) o EQ1541 o TS2702 (533.7) o EQ1551 o TS2703 (464.6) o EQ1554 o TS2704 (518.8) o EQ1554 o TS2705 (468.3) o EQ1606 o TS2706 (561.0) o EQ1691 o UDC89 o
[ EQ328 ]
C1 ENERGY= 268.5 kJ/mol ( -269.2559263 Hartree) Energy+ZPE= 261.6 kJ/mol ZPE= 0.0953950 CONNECTIONS: o TS320 (371.4) o EQ28 o TS2005 (471.7) o EQ237 o TS2707 (454.3) o EQ744 o TS2708 (615.5) o EQ2112 o UDC90 o
[ EQ329 ]
Cs ENERGY= 268.7 kJ/mol ( -269.2558512 Hartree) Energy+ZPE= 261.5 kJ/mol ZPE= 0.0952932 CONNECTIONS: o TS2709 (288.6) o EQ359 o TS2710 (527.4) o EQ825 o TS2711 (606.8) o EQ1368 o TS2712 (530.4) o EQ2008 o TS2713 (588.5) o EQ2040 o TS2714 (595.7) o EQ2163
[ EQ330 ]
Cs ENERGY= 268.8 kJ/mol ( -269.2557912 Hartree) Energy+ZPE= 261.3 kJ/mol ZPE= 0.0951933 CONNECTIONS: o TS1241 (487.5) o EQ141 o TS2234 (285.8) o EQ266 o TS2715 (294.1) o EQ332 o TS2716 (420.3) o EQ797
[ EQ331 ]
C1 ENERGY= 269.9 kJ/mol ( -269.2553984 Hartree) Energy+ZPE= 260.2 kJ/mol ZPE= 0.0943423 CONNECTIONS: o TS1480 (394.3) o EQ171 o TS2717 (279.4) o EQ331 o TS2718 (472.2) o EQ331 o TS2719 (608.5) o EQ530 o TS2720 (618.9) o EQ530 o TS2721 (543.0) o EQ1306 o TS2722 (520.1) o EQ1534 o TS2723 (564.0) o EQ1775 o UDC91 o
[ EQ332 ]
Cs ENERGY= 270.0 kJ/mol ( -269.2553342 Hartree) Energy+ZPE= 262.4 kJ/mol ZPE= 0.0951234 CONNECTIONS: o TS2329 (287.7) o EQ280 o TS2715 (294.1) o EQ330 o TS2724 (425.9) o EQ815 o TS2725 (423.5) o EQ883 o TS2726 (421.3) o EQ887 o TS2727 (460.9) o EQ1330 o TS2728 (467.1) o EQ1587 o TS2729 (472.3) o EQ1587 o TS2730 (552.1) o EQ1672
[ EQ333 ]
Cs ENERGY= 270.1 kJ/mol ( -269.2552938 Hartree) Energy+ZPE= 261.8 kJ/mol ZPE= 0.0948635 CONNECTIONS: o TS2435 (294.6) o EQ292 o TS2518 (290.3) o EQ303 o TS2731 (415.7) o EQ641 o TS2732 (419.5) o EQ675 o TS2733 (417.1) o EQ782 o TS2734 (535.9) o EQ1567 o TS2735 (563.1) o EQ1688 o TS2736 (528.6) o EQ1828
[ EQ334 ]
Cs ENERGY= 270.6 kJ/mol ( -269.2551225 Hartree) Energy+ZPE= 263.1 kJ/mol ZPE= 0.0951699 CONNECTIONS: o TS2524 (291.1) o EQ304 o TS2737 (295.0) o EQ337 o TS2738 (457.1) o EQ508 o TS2739 (395.7) o EQ839 o TS2740 (442.2) o EQ839 o TS2741 (445.7) o EQ839 o TS2742 (402.8) o EQ899 o TS2743 (404.4) o EQ930 o TS2744 (578.4) o EQ1906 o TS2745 (595.6) o EQ1984 o TS2746 (625.8) o EQ2276 o TS2747 (631.5) o EQ2287
[ EQ335 ]
C1 ENERGY= 270.7 kJ/mol ( -269.2550607 Hartree) Energy+ZPE= 259.4 kJ/mol ZPE= 0.0937488 CONNECTIONS: o TS2076 (546.7) o EQ245 o TS2621 (286.4) o EQ319 o TS2622 (288.0) o EQ319 o TS2623 (299.6) o EQ319 o TS2748 (280.4) o EQ335 o TS2749 (276.7) o EQ347 o TS2750 (461.6) o EQ1501 o TS2751 (510.3) o EQ1501 o TS2752 (464.5) o EQ1545 o TS2753 (629.3) o EQ1697 o TS2754 (612.6) o EQ2255 o TS2755 (647.3) o EQ2259 o TS2756 (663.0) o EQ2323 o TS2757 (652.0) o EQ2332 o TS2758 (643.2) o DDC151
[ EQ336 ]
C1 ENERGY= 271.1 kJ/mol ( -269.2549411 Hartree) Energy+ZPE= 259.7 kJ/mol ZPE= 0.0937086 CONNECTIONS: o TS2335 (271.8) o EQ281 o TS2495 (277.7) o EQ299 o TS2510 (272.3) o EQ302 o TS2577 (277.1) o EQ313 o TS2759 (461.4) o EQ1570 o TS2760 (464.1) o EQ1570 o TS2761 (642.2) o EQ2147 o TS2762 (597.4) o EQ2206 o TS2763 (604.3) o EQ2216 o TS2764 (611.8) o EQ2237
[ EQ337 ]
Cs ENERGY= 271.4 kJ/mol ( -269.2548136 Hartree) Energy+ZPE= 264.1 kJ/mol ZPE= 0.0952371 CONNECTIONS: o TS1193 (543.6) o EQ135 o TS1288 (382.5) o EQ147 o TS2559 (290.4) o EQ310 o TS2737 (295.0) o EQ334 o TS2765 (452.2) o EQ494 o TS2766 (396.7) o EQ507 o TS2767 (385.8) o EQ690 o TS2768 (390.8) o EQ714 o TS2769 (396.4) o EQ816 o TS2770 (396.7) o EQ816 o TS2771 (636.7) o EQ1690 o TS2772 (636.6) o EQ2281 o TS2773 (637.1) o EQ2281
[ EQ338 ]
Cs ENERGY= 271.4 kJ/mol ( -269.2547974 Hartree) Energy+ZPE= 262.4 kJ/mol ZPE= 0.0946085 CONNECTIONS: o TS965 (482.3) o EQ102 o TS2557 (290.5) o EQ309 o TS2692 (291.2) o EQ326 o TS2774 (447.7) o EQ338 o TS2775 (472.0) o EQ431 o TS2776 (424.5) o EQ839 o TS2777 (423.2) o EQ899 o TS2778 (531.6) o EQ1679
[ EQ339 ]
C1 ENERGY= 271.6 kJ/mol ( -269.2547380 Hartree) Energy+ZPE= 262.1 kJ/mol ZPE= 0.0944215 CONNECTIONS: o TS2672 (274.0) o EQ325 o TS2779 (274.6) o EQ341 o TS2780 (293.9) o EQ355 o TS2781 (294.2) o EQ355 o TS2782 (636.8) o EQ355 o TS2783 (519.0) o EQ860 o TS2784 (419.2) o EQ883 o TS2785 (412.8) o EQ1009 o TS2786 (437.1) o EQ1240 o TS2787 (458.5) o EQ1310 o TS2788 (555.9) o EQ1354 o TS2789 (551.3) o EQ1470 o TS2790 (620.6) o EQ2267 o TS2791 (620.6) o EQ2268 o TS2792 (626.6) o EQ2285 o TS2793 (637.0) o EQ2285 o TS2794 (541.3) o DDC152
[ EQ340 ]
Cs ENERGY= 272.7 kJ/mol ( -269.2543339 Hartree) Energy+ZPE= 269.6 kJ/mol ZPE= 0.0968730 CONNECTIONS: o TS2795 (359.0) o EQ455 o TS2796 (519.3) o EQ617 o TS2797 (546.9) o EQ1392 o UDC92 o
[ EQ341 ]
C1 ENERGY= 272.9 kJ/mol ( -269.2542364 Hartree) Energy+ZPE= 263.4 kJ/mol ZPE= 0.0944013 CONNECTIONS: o TS2673 (276.0) o EQ325 o TS2779 (274.6) o EQ339 o TS2798 (291.3) o EQ358 o TS2799 (292.1) o EQ358 o TS2800 (393.3) o EQ630 o TS2801 (405.0) o EQ782 o TS2802 (447.2) o EQ797 o TS2803 (547.9) o EQ1417 o TS2804 (621.0) o EQ2272 o TS2805 (621.9) o EQ2273
[ EQ342 ]
C1 ENERGY= 273.3 kJ/mol ( -269.2540981 Hartree) Energy+ZPE= 265.5 kJ/mol ZPE= 0.0950633 CONNECTIONS: o TS1120 (537.1) o EQ125 o TS2593 (276.1) o EQ314 o TS2594 (281.9) o EQ314 o TS2806 (468.7) o EQ1498 o TS2807 (464.2) o EQ1602 o TS2808 (555.0) o EQ1831 o TS2809 (552.4) o EQ1857 o TS2810 (709.7) o EQ2224
[ EQ343 ]
C1 ENERGY= 274.0 kJ/mol ( -269.2538039 Hartree) Energy+ZPE= 266.2 kJ/mol ZPE= 0.0950523 CONNECTIONS: o TS38 (332.8) o EQ3 o TS645 (275.6) o EQ59
[ EQ344 ]
C1 ENERGY= 274.2 kJ/mol ( -269.2537412 Hartree) Energy+ZPE= 266.3 kJ/mol ZPE= 0.0950323 CONNECTIONS:
[ EQ345 ]
C1 ENERGY= 274.6 kJ/mol ( -269.2536104 Hartree) Energy+ZPE= 265.5 kJ/mol ZPE= 0.0945649 CONNECTIONS: o TS362 (412.2) o EQ31 o TS2674 (289.7) o EQ325 o TS2675 (290.6) o EQ325 o TS2676 (625.8) o EQ325 o TS2811 (280.6) o EQ355 o TS2812 (506.4) o EQ419 o TS2813 (388.6) o EQ591 o TS2814 (387.5) o EQ603 o TS2815 (391.5) o EQ603 o TS2816 (390.2) o EQ633 o TS2817 (406.6) o EQ921 o TS2818 (403.5) o EQ925 o TS2819 (430.1) o EQ989 o TS2820 (460.7) o EQ1189 o TS2821 (581.2) o EQ1555 o TS2822 (625.2) o EQ2262 o TS2823 (626.1) o EQ2265 o TS2824 (621.1) o EQ2270 o TS2825 (521.3) o DDC153
[ EQ346 ]
Cs ENERGY= 274.6 kJ/mol ( -269.2536042 Hartree) Energy+ZPE= 261.7 kJ/mol ZPE= 0.0931280 CONNECTIONS: o TS321 (614.5) o EQ28 o TS2659 (285.4) o EQ322 o TS2826 (284.6) o EQ346 o TS2827 (651.7) o EQ486 o TS2828 (609.3) o EQ1823 o TS2829 (609.5) o EQ2238 o TS2830 (617.0) o EQ2253 o TS2831 (440.0) o DDC154 o UDC93 o
[ EQ347 ]
C1 ENERGY= 274.7 kJ/mol ( -269.2535371 Hartree) Energy+ZPE= 263.0 kJ/mol ZPE= 0.0935917 CONNECTIONS: o TS2614 (289.9) o EQ317 o TS2749 (276.7) o EQ335 o TS2832 (274.9) o EQ347 o TS2833 (544.6) o EQ1222 o TS2834 (653.7) o EQ2278 o TS2835 (689.0) o EQ2278 o TS2836 (651.6) o EQ2331 o TS2837 (669.8) o EQ2331
[ EQ348 ]
Cs ENERGY= 275.4 kJ/mol ( -269.2532909 Hartree) Energy+ZPE= 275.0 kJ/mol ZPE= 0.0978704 CONNECTIONS: o TS148 (481.4) o EQ13 o TS1660 (410.3) o EQ192 o TS2838 (554.1) o EQ1197 o TS2839 (540.7) o EQ1989
[ EQ349 ]
Cs ENERGY= 275.6 kJ/mol ( -269.2532067 Hartree) Energy+ZPE= 265.7 kJ/mol ZPE= 0.0942476 CONNECTIONS: o TS375 (446.9) o EQ32 o TS2032 (488.8) o EQ241 o TS2112 (486.2) o EQ248 o TS2840 (500.2) o EQ353 o TS2841 (279.7) o EQ356 o TS2842 (448.5) o EQ367 o TS2843 (496.7) o EQ526 o TS2844 (569.8) o EQ2125 o TS2845 (537.9) o DDC155 o TS2846 (680.1) o DDC156
[ EQ350 ]
C1 ENERGY= 276.8 kJ/mol ( -269.2527511 Hartree) Energy+ZPE= 271.6 kJ/mol ZPE= 0.0960720 CONNECTIONS: o TS2624 (732.6) o EQ319 o TS2847 (468.6) o EQ1607 o TS2848 (469.7) o EQ1614 o TS2849 (474.3) o EQ1652 o TS2850 (610.8) o EQ2229 o TS2851 (525.4) o DDC157 o TS2852 (582.0) o DDC158 o TS2853 (652.7) o DDC159 o TS2854 (709.8) o DDC160
[ EQ351 ]
C1 ENERGY= 276.8 kJ/mol ( -269.2527476 Hartree) Energy+ZPE= 269.2 kJ/mol ZPE= 0.0951414 CONNECTIONS: o TS722 (556.1) o EQ69 o TS2855 (288.3) o EQ362 o TS2856 (288.5) o EQ364 o TS2857 (747.3) o EQ752 o TS2858 (557.4) o EQ1622 o TS2859 (486.3) o EQ1649 o TS2860 (473.6) o EQ1678 o TS2861 (532.7) o EQ1678 o TS2862 (612.7) o EQ1684 o TS2863 (473.5) o EQ1685 o TS2864 (474.6) o EQ1686 o TS2865 (538.3) o EQ1697
[ EQ352 ]
C1 ENERGY= 276.9 kJ/mol ( -269.2527365 Hartree) Energy+ZPE= 271.1 kJ/mol ZPE= 0.0958136 CONNECTIONS: o TS657 (558.8) o EQ63 o TS2866 (280.1) o EQ352 o TS2867 (280.6) o EQ352 o TS2868 (514.3) o EQ564 o TS2869 (530.2) o EQ617 o TS2870 (673.1) o EQ1269 o TS2871 (683.7) o EQ1436 o TS2872 (651.2) o EQ1558 o TS2873 (548.5) o EQ1720 o TS2874 (507.6) o EQ1763 o TS2875 (551.0) o EQ1763 o TS2876 (588.1) o EQ2193 o TS2877 (553.3) o DDC161
[ EQ353 ]
C1 ENERGY= 277.3 kJ/mol ( -269.2525787 Hartree) Energy+ZPE= 267.7 kJ/mol ZPE= 0.0943754 CONNECTIONS: o TS376 (431.8) o EQ32 o TS1196 (548.6) o EQ136 o TS2840 (500.2) o EQ349 o TS2878 (280.8) o EQ367 o TS2879 (288.8) o EQ371 o TS2880 (619.4) o EQ780 o TS2881 (554.9) o EQ1329 o TS2882 (487.1) o EQ1670 o TS2883 (497.2) o EQ1683 o TS2884 (488.6) o EQ1699 o TS2885 (577.4) o EQ1980 o TS2886 (580.8) o EQ1980 o TS2887 (578.8) o EQ2000 o TS2888 (579.4) o EQ2082 o TS2889 (579.7) o EQ2083
[ EQ354 ]
Cs ENERGY= 277.8 kJ/mol ( -269.2523637 Hartree) Energy+ZPE= 273.1 kJ/mol ZPE= 0.0962327 CONNECTIONS: o TS2890 (518.8) o DDC162 o TS2891 (651.8) o DDC163 o TS2892 (657.0) o DDC164
[ EQ355 ]
C1 ENERGY= 277.9 kJ/mol ( -269.2523314 Hartree) Energy+ZPE= 268.0 kJ/mol ZPE= 0.0942462 CONNECTIONS: o TS1365 (553.5) o EQ158 o TS2780 (293.9) o EQ339 o TS2781 (294.2) o EQ339 o TS2782 (636.8) o EQ339 o TS2811 (280.6) o EQ345 o TS2893 (280.1) o EQ358 o TS2894 (411.2) o EQ960 o TS2895 (414.3) o EQ1041 o TS2896 (446.6) o EQ1243 o TS2897 (465.5) o EQ1292 o TS2898 (584.8) o EQ1490 o TS2899 (627.9) o EQ2267 o TS2900 (622.6) o EQ2280 o TS2901 (624.8) o EQ2285 o TS2902 (624.9) o EQ2289 o TS2903 (545.0) o DDC165
[ EQ356 ]
C1 ENERGY= 278.0 kJ/mol ( -269.2523101 Hartree) Energy+ZPE= 267.8 kJ/mol ZPE= 0.0941582 CONNECTIONS: o TS1046 (640.2) o EQ115 o TS2841 (279.7) o EQ349 o TS2904 (286.1) o EQ356 o TS2905 (574.6) o EQ1134 o UDC94 o
[ EQ357 ]
C1 ENERGY= 278.9 kJ/mol ( -269.2519710 Hartree) Energy+ZPE= 278.3 kJ/mol ZPE= 0.0978187 CONNECTIONS: o TS1091 (481.3) o EQ122 o TS2906 (364.6) o EQ357 o TS2907 (505.5) o EQ585 o TS2908 (479.1) o EQ621 o TS2909 (491.3) o EQ1704 o TS2910 (505.7) o EQ1704 o TS2911 (424.7) o DDC166 o TS2912 (424.8) o DDC167
[ EQ358 ]
C1 ENERGY= 278.9 kJ/mol ( -269.2519591 Hartree) Energy+ZPE= 268.9 kJ/mol ZPE= 0.0942331 CONNECTIONS: o TS1366 (561.3) o EQ158 o TS2798 (291.3) o EQ341 o TS2799 (292.1) o EQ341 o TS2893 (280.1) o EQ355 o TS2913 (392.8) o EQ641 o TS2914 (397.3) o EQ641 o TS2915 (396.0) o EQ675 o TS2916 (443.3) o EQ815 o TS2917 (628.3) o EQ2272 o TS2918 (623.2) o EQ2282
[ EQ359 ]
Cs ENERGY= 279.5 kJ/mol ( -269.2517369 Hartree) Energy+ZPE= 271.0 kJ/mol ZPE= 0.0947928 CONNECTIONS: o TS2709 (288.6) o EQ329 o TS2919 (516.9) o EQ725 o TS2920 (506.7) o EQ1134 o TS2921 (506.9) o EQ1383 o TS2922 (545.5) o EQ2054
[ EQ360 ]
C1 ENERGY= 279.9 kJ/mol ( -269.2515884 Hartree) Energy+ZPE= 271.2 kJ/mol ZPE= 0.0947062 CONNECTIONS: o TS2923 (286.3) o EQ360 o TS2924 (462.3) o EQ360 o TS2925 (641.2) o EQ433 o TS2926 (538.9) o EQ573 o TS2927 (559.6) o EQ1263 o TS2928 (541.3) o EQ1775 o TS2929 (571.2) o EQ2155 o TS2930 (585.9) o EQ2155 o TS2931 (489.9) o DDC168 o TS2932 (745.6) o DDC169 o UDC95 o
[ EQ361 ]
Cs ENERGY= 279.9 kJ/mol ( -269.2515661 Hartree) Energy+ZPE= 270.1 kJ/mol ZPE= 0.0942976 CONNECTIONS: o TS924 (534.8) o EQ97 o TS2933 (584.2) o EQ361 o TS2934 (302.6) o EQ363 o TS2935 (301.6) o EQ390 o TS2936 (436.8) o EQ1072 o TS2937 (603.8) o EQ2162 o TS2938 (675.5) o EQ2328
[ EQ362 ]
C1 ENERGY= 280.1 kJ/mol ( -269.2514871 Hartree) Energy+ZPE= 272.3 kJ/mol ZPE= 0.0950480 CONNECTIONS: o TS811 (563.0) o EQ81 o TS2855 (288.3) o EQ351 o TS2939 (296.6) o EQ364 o TS2940 (483.7) o EQ1649 o TS2941 (471.6) o EQ1664 o TS2942 (485.7) o EQ1685 o TS2943 (477.8) o EQ1714 o TS2944 (543.8) o EQ1714 o TS2945 (477.4) o EQ1719 o TS2946 (690.8) o DDC170 o TS2947 (695.8) o DDC171
[ EQ363 ]
Cs ENERGY= 280.3 kJ/mol ( -269.2514364 Hartree) Energy+ZPE= 270.5 kJ/mol ZPE= 0.0943019 CONNECTIONS: o TS2934 (302.6) o EQ361 o TS2948 (296.6) o EQ378 o TS2949 (418.0) o EQ1072 o TS2950 (524.3) o EQ1700 o TS2951 (533.3) o EQ1700
[ EQ364 ]
C1 ENERGY= 280.4 kJ/mol ( -269.2513681 Hartree) Energy+ZPE= 272.8 kJ/mol ZPE= 0.0951238 CONNECTIONS: o TS723 (565.4) o EQ69 o TS2856 (288.5) o EQ351 o TS2939 (296.6) o EQ362 o TS2952 (616.8) o EQ1160 o TS2953 (476.5) o EQ1535 o TS2954 (545.2) o EQ1535 o TS2955 (562.8) o EQ1622 o TS2956 (469.6) o EQ1649 o TS2957 (579.0) o EQ2113
[ EQ365 ]
C1 ENERGY= 280.5 kJ/mol ( -269.2513470 Hartree) Energy+ZPE= 278.3 kJ/mol ZPE= 0.0972076 CONNECTIONS: o TS484 (425.0) o EQ44 o TS623 (405.5) o EQ58 o TS661 (452.6) o EQ64 o TS2958 (303.2) o EQ365 o TS2959 (620.4) o EQ1704 o TS2960 (638.6) o EQ2286 o TS2961 (636.7) o EQ2311 o TS2962 (639.8) o EQ2319 o TS2963 (640.6) o EQ2322 o TS2964 (656.9) o EQ2333 o TS2965 (655.3) o EQ2355 o TS2966 (495.6) o DDC172
[ EQ366 ]
Cs ENERGY= 280.5 kJ/mol ( -269.2513407 Hartree) Energy+ZPE= 269.2 kJ/mol ZPE= 0.0937281 CONNECTIONS: o TS2967 (289.3) o EQ366 o TS2968 (297.2) o EQ374 o TS2969 (570.2) o EQ1884 o TS2970 (613.7) o EQ2239
[ EQ367 ]
C1 ENERGY= 280.6 kJ/mol ( -269.2513014 Hartree) Energy+ZPE= 270.1 kJ/mol ZPE= 0.0940399 CONNECTIONS: o TS1458 (545.8) o EQ169 o TS2842 (448.5) o EQ349 o TS2878 (280.8) o EQ353 o TS2971 (446.7) o EQ367 o TS2972 (287.0) o EQ371 o TS2973 (550.1) o EQ1254 o TS2974 (584.3) o EQ1986 o TS2975 (580.6) o EQ1991 o TS2976 (578.1) o EQ2090 o TS2977 (579.8) o EQ2090
[ EQ368 ]
C1 ENERGY= 281.1 kJ/mol ( -269.2511078 Hartree) Energy+ZPE= 274.7 kJ/mol ZPE= 0.0955963 CONNECTIONS: o TS23 (373.7) o EQ1 o TS683 (396.2) o EQ67 o TS2978 (292.7) o EQ368 o TS2979 (429.6) o EQ579 o TS2980 (433.2) o EQ1039 o TS2981 (434.9) o EQ1067 o TS2982 (572.4) o EQ1964 o TS2983 (573.9) o EQ1964 o TS2984 (419.7) o DDC173
[ EQ369 ]
C1 ENERGY= 281.4 kJ/mol ( -269.2509882 Hartree) Energy+ZPE= 269.5 kJ/mol ZPE= 0.0935196 CONNECTIONS: o TS2985 (285.8) o EQ369 o TS2986 (296.6) o EQ403 o TS2987 (485.1) o EQ1760 o TS2988 (487.1) o EQ1788 o TS2989 (558.2) o EQ1824 o TS2990 (764.6) o DDC174 o UDC96 o
[ EQ370 ]
Cs ENERGY= 281.6 kJ/mol ( -269.2509425 Hartree) Energy+ZPE= 272.3 kJ/mol ZPE= 0.0944957 CONNECTIONS: o TS1644 (571.2) o EQ190 o TS2991 (286.9) o EQ370 o TS2992 (479.6) o EQ372 o TS2993 (312.0) o EQ375 o TS2994 (640.1) o EQ1113 o TS2995 (500.0) o EQ1344 o UDC97 o
[ EQ371 ]
C1 ENERGY= 281.6 kJ/mol ( -269.2509298 Hartree) Energy+ZPE= 271.7 kJ/mol ZPE= 0.0942822 CONNECTIONS: o TS2292 (479.4) o EQ275 o TS2879 (288.8) o EQ353 o TS2972 (287.0) o EQ367 o TS2996 (476.2) o EQ1524 o TS2997 (584.7) o EQ1986 o TS2998 (587.6) o EQ1986 o TS2999 (579.6) o EQ2024 o TS3000 (585.1) o EQ2042 o TS3001 (577.9) o EQ2084 o TS3002 (579.1) o EQ2087 o TS3003 (578.8) o EQ2094 o TS3004 (580.4) o EQ2100 o TS3005 (686.4) o DDC175
[ EQ372 ]
Cs ENERGY= 282.3 kJ/mol ( -269.2506481 Hartree) Energy+ZPE= 273.1 kJ/mol ZPE= 0.0945258 CONNECTIONS: o TS2992 (479.6) o EQ370 o TS3006 (288.3) o EQ372 o TS3007 (312.6) o EQ376 o TS3008 (529.1) o DDC176 o TS3009 (647.6) o DDC177
[ EQ373 ]
Cs ENERGY= 282.7 kJ/mol ( -269.2505050 Hartree) Energy+ZPE= 274.6 kJ/mol ZPE= 0.0949350 CONNECTIONS: o TS349 (457.9) o EQ30 o TS1778 (410.1) o EQ206 o TS3010 (515.8) o DDC178
[ EQ374 ]
Cs ENERGY= 282.8 kJ/mol ( -269.2504557 Hartree) Energy+ZPE= 270.5 kJ/mol ZPE= 0.0933369 CONNECTIONS: o TS2968 (297.2) o EQ366 o TS3011 (291.8) o EQ374 o TS3012 (563.1) o EQ1823 o TS3013 (614.9) o EQ2238
[ EQ375 ]
Cs ENERGY= 283.3 kJ/mol ( -269.2502716 Hartree) Energy+ZPE= 274.1 kJ/mol ZPE= 0.0945437 CONNECTIONS: o TS2993 (312.0) o EQ370 o TS3014 (288.8) o EQ375 o TS3015 (492.0) o EQ1258 o UDC98 o
[ EQ376 ]
Cs ENERGY= 283.9 kJ/mol ( -269.2500442 Hartree) Energy+ZPE= 274.9 kJ/mol ZPE= 0.0946133 CONNECTIONS: o TS3007 (312.6) o EQ372 o TS3016 (290.5) o EQ376 o TS3017 (421.4) o EQ611 o TS3018 (638.6) o EQ1404
[ EQ377 ]
C1 ENERGY= 284.1 kJ/mol ( -269.2499841 Hartree) Energy+ZPE= 276.8 kJ/mol ZPE= 0.0952489 CONNECTIONS: o TS251 (382.7) o EQ23 o TS447 (391.5) o EQ40 o TS2206 (503.7) o EQ263 o TS3019 (454.1) o EQ687 o TS3020 (628.9) o EQ2231 o TS3021 (387.5) o DDC179
[ EQ378 ]
Cs ENERGY= 284.3 kJ/mol ( -269.2499168 Hartree) Energy+ZPE= 274.2 kJ/mol ZPE= 0.0941756 CONNECTIONS: o TS2948 (296.6) o EQ363 o TS3022 (552.5) o EQ378 o TS3023 (308.6) o EQ390 o TS3024 (637.8) o EQ404 o TS3025 (533.5) o EQ1679 o TS3026 (535.2) o EQ1679 o TS3027 (591.3) o EQ2200
[ EQ379 ]
Cs ENERGY= 284.9 kJ/mol ( -269.2496626 Hartree) Energy+ZPE= 278.7 kJ/mol ZPE= 0.0956788 CONNECTIONS: o TS932 (433.6) o EQ99 o TS2113 (582.3) o EQ248 o TS3028 (293.2) o EQ394 o TS3029 (454.4) o EQ401 o TS3030 (575.4) o EQ1397 o UDC99 o
[ EQ380 ]
Cs ENERGY= 285.3 kJ/mol ( -269.2495105 Hartree) Energy+ZPE= 275.6 kJ/mol ZPE= 0.0943260 CONNECTIONS: o TS252 (406.2) o EQ23 o TS2165 (418.5) o EQ256 o TS2207 (422.6) o EQ263 o TS2208 (453.3) o EQ263 o TS3031 (443.4) o EQ1215 o TS3032 (440.6) o EQ1228 o TS3033 (442.6) o EQ1228 o TS3034 (594.8) o EQ1663 o TS3035 (546.8) o EQ1822 o TS3036 (661.6) o EQ1822 o UDC100 o
[ EQ381 ]
C1 ENERGY= 285.4 kJ/mol ( -269.2494626 Hartree) Energy+ZPE= 272.8 kJ/mol ZPE= 0.0932404 CONNECTIONS: o TS624 (401.9) o EQ58 o TS906 (317.6) o EQ93 o TS3037 (289.8) o EQ381 o TS3038 (297.4) o EQ381 o TS3039 (487.5) o EQ510 o TS3040 (288.4) o DDC180
[ EQ382 ]
C1 ENERGY= 287.6 kJ/mol ( -269.2486509 Hartree) Energy+ZPE= 281.8 kJ/mol ZPE= 0.0958322 CONNECTIONS: o TS339 (386.4) o EQ29 o TS3041 (299.6) o EQ382 o TS3042 (475.6) o EQ1674 o TS3043 (290.0) o DDC181 o TS3044 (484.8) o DDC182
[ EQ383 ]
Cs ENERGY= 287.9 kJ/mol ( -269.2485293 Hartree) Energy+ZPE= 283.1 kJ/mol ZPE= 0.0962147 CONNECTIONS: o TS69 (370.1) o EQ5 o TS1156 (380.8) o EQ130 o TS3045 (335.1) o EQ407 o TS3046 (570.6) o EQ898 o TS3047 (459.2) o EQ1538 o TS3048 (459.4) o EQ1550 o TS3049 (495.1) o EQ1559
[ EQ384 ]
Cs ENERGY= 289.3 kJ/mol ( -269.2479964 Hartree) Energy+ZPE= 285.9 kJ/mol ZPE= 0.0967219 CONNECTIONS: o TS3050 (430.4) o EQ384 o TS3051 (300.8) o EQ418 o TS3052 (516.7) o EQ535 o TS3053 (515.0) o EQ778
[ EQ385 ]
C1 ENERGY= 289.7 kJ/mol ( -269.2478288 Hartree) Energy+ZPE= 280.4 kJ/mol ZPE= 0.0945038 CONNECTIONS: o TS227 (398.9) o EQ20 o TS1385 (617.8) o EQ159 o TS3054 (313.5) o EQ386 o TS3055 (313.7) o EQ386 o TS3056 (309.3) o EQ411 o TS3057 (311.8) o EQ411 o TS3058 (389.9) o EQ416 o TS3059 (480.0) o EQ1695
[ EQ386 ]
C1 ENERGY= 290.0 kJ/mol ( -269.2477254 Hartree) Energy+ZPE= 281.1 kJ/mol ZPE= 0.0946347 CONNECTIONS: o TS1208 (545.5) o EQ137 o TS3054 (313.5) o EQ385 o TS3055 (313.7) o EQ385 o TS3060 (308.3) o EQ412 o TS3061 (309.6) o EQ412 o TS3062 (403.7) o EQ448 o TS3063 (382.8) o EQ732 o TS3064 (480.3) o EQ1525 o TS3065 (600.7) o EQ2183 o TS3066 (638.3) o EQ2293
[ EQ387 ]
C1 ENERGY= 290.5 kJ/mol ( -269.2475529 Hartree) Energy+ZPE= 285.9 kJ/mol ZPE= 0.0962947 CONNECTIONS: o TS3067 (295.8) o EQ387 o TS3068 (296.6) o EQ396 o TS3069 (491.9) o EQ747
[ EQ388 ]
C1 ENERGY= 291.2 kJ/mol ( -269.2472650 Hartree) Energy+ZPE= 279.8 kJ/mol ZPE= 0.0937069 CONNECTIONS: o TS3070 (299.1) o EQ388 o TS3071 (296.5) o EQ391 o TS3072 (311.6) o EQ419 o TS3073 (396.5) o EQ753 o TS3074 (400.4) o EQ897 o TS3075 (432.7) o EQ1011 o TS3076 (426.1) o EQ1059 o TS3077 (452.6) o EQ1062 o TS3078 (541.0) o EQ1870 o TS3079 (549.3) o EQ1941
[ EQ389 ]
Cs ENERGY= 292.0 kJ/mol ( -269.2469670 Hartree) Energy+ZPE= 280.0 kJ/mol ZPE= 0.0934584 CONNECTIONS: o TS3080 (301.2) o EQ389 o TS3081 (295.1) o EQ392 o TS3082 (317.8) o DDC183
[ EQ390 ]
C1 ENERGY= 292.0 kJ/mol ( -269.2469512 Hartree) Energy+ZPE= 280.6 kJ/mol ZPE= 0.0936825 CONNECTIONS: o TS2935 (301.6) o EQ361 o TS3023 (308.6) o EQ378 o TS3083 (575.0) o EQ390 o TS3084 (584.2) o EQ390 o TS3085 (536.2) o EQ720 o TS3086 (543.2) o EQ720 o TS3087 (544.4) o EQ1776 o TS3088 (596.9) o EQ2215 o TS3089 (676.8) o EQ2326 o TS3090 (677.9) o EQ2327
[ EQ391 ]
Cs ENERGY= 292.1 kJ/mol ( -269.2469356 Hartree) Energy+ZPE= 280.5 kJ/mol ZPE= 0.0936024 CONNECTIONS: o TS3071 (296.5) o EQ388 o TS3091 (313.7) o EQ415 o TS3092 (393.1) o EQ674 o TS3093 (409.6) o EQ729 o TS3094 (391.2) o EQ810
[ EQ392 ]
C1 ENERGY= 292.1 kJ/mol ( -269.2469138 Hartree) Energy+ZPE= 280.2 kJ/mol ZPE= 0.0934993 CONNECTIONS: o TS3081 (295.1) o EQ389 o TS3095 (296.2) o EQ392 o TS3096 (305.3) o EQ392 o TS3097 (317.1) o DDC184
[ EQ393 ]
C1 ENERGY= 292.2 kJ/mol ( -269.2468848 Hartree) Energy+ZPE= 287.7 kJ/mol ZPE= 0.0963227 CONNECTIONS: o TS3098 (417.5) o EQ393 o TS3099 (305.4) o EQ408 o TS3100 (305.9) o EQ408 o TS3101 (454.7) o EQ561
[ EQ394 ]
C1 ENERGY= 292.3 kJ/mol ( -269.2468538 Hartree) Energy+ZPE= 285.2 kJ/mol ZPE= 0.0953458 CONNECTIONS: o TS1242 (466.9) o EQ141 o TS3028 (293.2) o EQ379 o TS3102 (301.2) o EQ394 o TS3103 (458.9) o EQ400
[ EQ395 ]
C1 ENERGY= 292.4 kJ/mol ( -269.2468225 Hartree) Energy+ZPE= 285.3 kJ/mol ZPE= 0.0953399 CONNECTIONS: o TS214 (380.2) o EQ18 o TS1157 (483.2) o EQ130 o TS3104 (379.5) o EQ395 o TS3105 (302.5) o EQ430 o TS3106 (311.0) o EQ431 o TS3107 (416.1) o EQ508 o TS3108 (528.8) o EQ634 o TS3109 (427.4) o EQ812
[ EQ396 ]
Cs ENERGY= 292.4 kJ/mol ( -269.2468030 Hartree) Energy+ZPE= 287.9 kJ/mol ZPE= 0.0963149 CONNECTIONS: o TS3068 (296.6) o EQ387 o TS3110 (383.3) o EQ396 o TS3111 (493.4) o EQ559 o TS3112 (503.0) o EQ830
[ EQ397 ]
C1 ENERGY= 293.6 kJ/mol ( -269.2463708 Hartree) Energy+ZPE= 291.3 kJ/mol ZPE= 0.0971528 CONNECTIONS: o TS3113 (298.7) o EQ397 o TS3114 (492.9) o EQ397 o TS3115 (493.9) o EQ397 o TS3116 (484.4) o EQ841 o TS3117 (467.9) o EQ1102 o TS3118 (478.9) o EQ1122 o TS3119 (406.4) o DDC185
[ EQ398 ]
Cs ENERGY= 293.7 kJ/mol ( -269.2463350 Hartree) Energy+ZPE= 284.2 kJ/mol ZPE= 0.0944199 CONNECTIONS: o TS2414 (541.6) o EQ290 o TS3120 (308.6) o EQ420 o TS3121 (313.6) o EQ426 o TS3122 (424.6) o EQ873 o TS3123 (413.3) o EQ888 o TS3124 (418.3) o EQ1042 o TS3125 (543.7) o EQ1813 o TS3126 (546.0) o EQ1813
[ EQ399 ]
C1 ENERGY= 294.3 kJ/mol ( -269.2460952 Hartree) Energy+ZPE= 289.5 kJ/mol ZPE= 0.0961985 CONNECTIONS: o TS1367 (504.1) o EQ158 o TS3127 (309.0) o EQ435 o TS3128 (311.1) o EQ435 o TS3129 (564.9) o EQ818 o TS3130 (568.7) o EQ1064 o TS3131 (487.1) o EQ1095 o TS3132 (513.1) o EQ1846
[ EQ400 ]
C1 ENERGY= 294.3 kJ/mol ( -269.2460938 Hartree) Energy+ZPE= 286.5 kJ/mol ZPE= 0.0950532 CONNECTIONS: o TS1223 (428.6) o EQ139 o TS3103 (458.9) o EQ394 o TS3133 (295.2) o EQ400 o TS3134 (301.7) o EQ401 o TS3135 (574.6) o EQ1456 o TS3136 (534.4) o EQ1567
[ EQ401 ]
Cs ENERGY= 295.0 kJ/mol ( -269.2458396 Hartree) Energy+ZPE= 287.8 kJ/mol ZPE= 0.0952742 CONNECTIONS: o TS1110 (423.1) o EQ124 o TS3029 (454.4) o EQ379 o TS3134 (301.7) o EQ400 o TS3137 (575.5) o EQ1479 o TS3138 (519.7) o EQ1518 o TS3139 (526.5) o EQ1994
[ EQ402 ]
C1 ENERGY= 295.0 kJ/mol ( -269.2458248 Hartree) Energy+ZPE= 288.0 kJ/mol ZPE= 0.0953704 CONNECTIONS: o TS118 (461.6) o EQ10 o TS2304 (510.5) o EQ277 o TS3140 (296.6) o EQ402 o TS3141 (484.7) o EQ1008 o TS3142 (638.6) o EQ1772
[ EQ403 ]
C1 ENERGY= 295.0 kJ/mol ( -269.2458199 Hartree) Energy+ZPE= 283.5 kJ/mol ZPE= 0.0936743 CONNECTIONS: o TS322 (481.5) o EQ28 o TS2986 (296.6) o EQ369 o TS3143 (295.3) o EQ403 o TS3144 (298.7) o EQ403 o TS3145 (587.0) o EQ2001 o TS3146 (628.3) o EQ2256
[ EQ404 ]
Cs ENERGY= 295.3 kJ/mol ( -269.2457255 Hartree) Energy+ZPE= 286.1 kJ/mol ZPE= 0.0945308 CONNECTIONS: o TS2415 (555.0) o EQ290 o TS3024 (637.8) o EQ378 o TS3147 (311.6) o EQ421 o TS3148 (303.1) o EQ434 o TS3149 (432.3) o EQ1005 o TS3150 (422.1) o EQ1093 o TS3151 (665.6) o EQ2326 o TS3152 (661.6) o EQ2327 o TS3153 (588.4) o DDC186
[ EQ405 ]
Cs ENERGY= 295.4 kJ/mol ( -269.2456668 Hartree) Energy+ZPE= 284.7 kJ/mol ZPE= 0.0939657 CONNECTIONS: o TS1467 (464.4) o EQ170 o TS3154 (300.7) o EQ405 o TS3155 (579.8) o EQ414 o TS3156 (300.8) o EQ417 o TS3157 (474.0) o EQ651 o TS3158 (465.4) o EQ1611 o TS3159 (484.1) o EQ1753
[ EQ406 ]
Cs ENERGY= 295.4 kJ/mol ( -269.2456597 Hartree) Energy+ZPE= 287.2 kJ/mol ZPE= 0.0949231 CONNECTIONS: o TS3160 (397.3) o EQ441 o TS3161 (331.4) o EQ450 o TS3162 (335.5) o EQ454 o UDC101 o
[ EQ407 ]
Cs ENERGY= 296.4 kJ/mol ( -269.2452993 Hartree) Energy+ZPE= 291.3 kJ/mol ZPE= 0.0960802 CONNECTIONS: o TS87 (381.1) o EQ7 o TS1047 (383.4) o EQ115 o TS3045 (335.1) o EQ383 o TS3163 (495.4) o EQ1097 o TS3164 (466.6) o EQ1538 o TS3165 (514.5) o EQ1559 o TS3166 (464.1) o EQ1599 o TS3167 (627.6) o DDC187 o TS3168 (659.2) o DDC188
[ EQ408 ]
C1 ENERGY= 296.9 kJ/mol ( -269.2451108 Hartree) Energy+ZPE= 291.9 kJ/mol ZPE= 0.0961337 CONNECTIONS: o TS88 (401.8) o EQ7 o TS2391 (413.8) o EQ286 o TS2472 (412.0) o EQ296 o TS3099 (305.4) o EQ393 o TS3100 (305.9) o EQ393 o TS3169 (428.2) o EQ408 o TS3170 (460.7) o EQ561
[ EQ409 ]
Cs ENERGY= 297.2 kJ/mol ( -269.2449750 Hartree) Energy+ZPE= 289.3 kJ/mol ZPE= 0.0950129 CONNECTIONS: o TS194 (530.1) o EQ16 o TS1699 (437.1) o EQ196 o TS3171 (303.5) o EQ434 o TS3172 (320.1) o EQ451 o TS3173 (322.3) o EQ451 o TS3174 (465.7) o EQ1093 o TS3175 (661.4) o EQ2328
[ EQ410 ]
Cs ENERGY= 297.5 kJ/mol ( -269.2448907 Hartree) Energy+ZPE= 286.8 kJ/mol ZPE= 0.0939585 CONNECTIONS: o TS3176 (302.8) o EQ410 o TS3177 (301.5) o EQ414 o TS3178 (481.7) o EQ1751 o TS3179 (482.2) o EQ1754
[ EQ411 ]
C1 ENERGY= 297.5 kJ/mol ( -269.2448583 Hartree) Energy+ZPE= 288.1 kJ/mol ZPE= 0.0944648 CONNECTIONS: o TS1603 (554.3) o EQ186 o TS3056 (309.3) o EQ385 o TS3057 (311.8) o EQ385 o TS3180 (319.5) o EQ412 o TS3181 (321.5) o EQ412 o TS3182 (434.4) o EQ412 o TS3183 (389.7) o EQ450 o TS3184 (416.3) o EQ467 o TS3185 (444.6) o EQ506 o TS3186 (613.6) o EQ798 o TS3187 (435.7) o EQ819 o TS3188 (617.9) o EQ950 o TS3189 (546.2) o EQ1153 o TS3190 (491.5) o EQ1786 o TS3191 (615.1) o EQ2215 o TS3192 (622.1) o EQ2219 o TS3193 (621.8) o EQ2245 o TS3194 (636.6) o EQ2245 o TS3195 (575.5) o DDC189
[ EQ412 ]
C1 ENERGY= 297.8 kJ/mol ( -269.2447527 Hartree) Energy+ZPE= 288.7 kJ/mol ZPE= 0.0945789 CONNECTIONS: o TS1368 (527.6) o EQ158 o TS1369 (544.3) o EQ158 o TS1370 (551.6) o EQ158 o TS3060 (308.3) o EQ386 o TS3061 (309.6) o EQ386 o TS3180 (319.5) o EQ411 o TS3181 (321.5) o EQ411 o TS3182 (434.4) o EQ411 o TS3196 (403.7) o EQ479 o TS3197 (391.1) o EQ819 o TS3198 (759.9) o EQ842 o TS3199 (606.8) o EQ2200 o TS3200 (632.4) o EQ2293 o TS3201 (643.4) o EQ2293
[ EQ413 ]
C1 ENERGY= 297.9 kJ/mol ( -269.2447170 Hartree) Energy+ZPE= 297.0 kJ/mol ZPE= 0.0977034 CONNECTIONS: o TS253 (597.9) o EQ23 o TS1175 (377.2) o EQ134 o TS2020 (506.2) o EQ240 o TS3202 (549.1) o EQ440 o TS3203 (411.6) o EQ460 o TS3204 (479.8) o EQ460 o TS3205 (464.9) o EQ500 o TS3206 (505.4) o EQ1623 o TS3207 (639.1) o EQ1876 o TS3208 (565.9) o EQ2043 o TS3209 (583.5) o EQ2170 o TS3210 (758.9) o EQ2511 o TS3211 (722.9) o DDC190
[ EQ414 ]
C1 ENERGY= 298.1 kJ/mol ( -269.2446574 Hartree) Energy+ZPE= 286.9 kJ/mol ZPE= 0.0937545 CONNECTIONS: o TS3155 (579.8) o EQ405 o TS3177 (301.5) o EQ410 o TS3212 (301.0) o EQ414 o TS3213 (302.5) o EQ414 o TS3214 (548.4) o EQ973 o TS3215 (563.8) o EQ1563 o TS3216 (468.1) o EQ1626 o TS3217 (477.9) o EQ1725 o TS3218 (492.5) o EQ1810 o TS3219 (513.4) o EQ1817 o TS3220 (515.8) o EQ1817 o TS3221 (546.6) o EQ2068 o TS3222 (616.4) o EQ2137
[ EQ415 ]
C1 ENERGY= 298.1 kJ/mol ( -269.2446411 Hartree) Energy+ZPE= 285.4 kJ/mol ZPE= 0.0931794 CONNECTIONS: o TS269 (410.2) o EQ24 o TS3091 (313.7) o EQ391 o TS3223 (304.2) o EQ419 o TS3224 (412.8) o EQ932 o TS3225 (418.6) o EQ932 o TS3226 (608.7) o DDC191
[ EQ416 ]
Cs ENERGY= 298.6 kJ/mol ( -269.2444656 Hartree) Energy+ZPE= 291.2 kJ/mol ZPE= 0.0952207 CONNECTIONS: o TS3058 (389.9) o EQ385 o TS3227 (400.9) o EQ448 o TS3228 (341.6) o EQ467 o TS3229 (337.4) o EQ475
[ EQ417 ]
C1 ENERGY= 298.7 kJ/mol ( -269.2444199 Hartree) Energy+ZPE= 287.3 kJ/mol ZPE= 0.0937115 CONNECTIONS: o TS3156 (300.8) o EQ405 o TS3230 (301.6) o EQ417 o TS3231 (303.5) o EQ417 o TS3232 (708.3) o EQ470 o TS3233 (480.2) o EQ1722 o TS3234 (495.1) o EQ1817 o TS3235 (549.0) o EQ2068
[ EQ418 ]
C1 ENERGY= 298.8 kJ/mol ( -269.2443916 Hartree) Energy+ZPE= 294.7 kJ/mol ZPE= 0.0964694 CONNECTIONS: o TS3051 (300.8) o EQ384 o TS3236 (307.3) o EQ418 o TS3237 (456.2) o EQ418
[ EQ419 ]
C1 ENERGY= 299.4 kJ/mol ( -269.2441336 Hartree) Energy+ZPE= 287.0 kJ/mol ZPE= 0.0933146 CONNECTIONS: o TS2812 (506.4) o EQ345 o TS3072 (311.6) o EQ388 o TS3223 (304.2) o EQ415 o TS3238 (306.1) o EQ419 o TS3239 (550.2) o EQ720 o TS3240 (555.8) o EQ728 o TS3241 (433.2) o EQ1011 o TS3242 (449.4) o EQ1115 o TS3243 (560.0) o EQ1906 o TS3244 (559.7) o EQ1916
[ EQ420 ]
C1 ENERGY= 300.1 kJ/mol ( -269.2438680 Hartree) Energy+ZPE= 290.4 kJ/mol ZPE= 0.0943297 CONNECTIONS: o TS2567 (544.5) o EQ311 o TS3120 (308.6) o EQ398 o TS3245 (726.0) o EQ420 o TS3246 (321.3) o EQ442 o TS3247 (529.3) o EQ535 o TS3248 (417.5) o EQ1014 o TS3249 (444.0) o EQ1029 o TS3250 (549.1) o EQ1707 o TS3251 (588.8) o EQ1863 o TS3252 (842.3) o EQ2534
[ EQ421 ]
Cs ENERGY= 300.3 kJ/mol ( -269.2438205 Hartree) Energy+ZPE= 290.2 kJ/mol ZPE= 0.0942021 CONNECTIONS: o TS3147 (311.6) o EQ404 o TS3253 (314.8) o EQ451 o TS3254 (432.2) o EQ1018 o TS3255 (424.7) o EQ1112
[ EQ422 ]
C1 ENERGY= 300.3 kJ/mol ( -269.2438113 Hartree) Energy+ZPE= 289.7 kJ/mol ZPE= 0.0939858 CONNECTIONS: o TS522 (360.9) o EQ47 o TS3256 (305.6) o EQ423 o TS3257 (309.5) o EQ427 o TS3258 (311.5) o EQ427 o TS3259 (312.9) o EQ436 o TS3260 (630.8) o EQ2299 o TS3261 (677.8) o EQ2350 o UDC102 o
[ EQ423 ]
C1 ENERGY= 300.8 kJ/mol ( -269.2436320 Hartree) Energy+ZPE= 289.7 kJ/mol ZPE= 0.0938217 CONNECTIONS: o TS3256 (305.6) o EQ422 o TS3262 (307.8) o EQ423 o TS3263 (304.1) o EQ427 o TS3264 (310.6) o EQ429 o TS3265 (633.2) o EQ2306 o TS3266 (474.8) o DDC192
[ EQ424 ]
C1 ENERGY= 300.8 kJ/mol ( -269.2436067 Hartree) Energy+ZPE= 299.1 kJ/mol ZPE= 0.0973690 CONNECTIONS: o TS523 (334.4) o EQ47 o TS2021 (478.1) o EQ240 o TS3267 (563.8) o EQ868 o TS3268 (610.2) o EQ2231 o TS3269 (747.8) o EQ2502 o TS3270 (751.2) o EQ2510 o TS3271 (750.2) o EQ2511 o TS3272 (583.8) o DDC193
[ EQ425 ]
C1 ENERGY= 301.0 kJ/mol ( -269.2435487 Hartree) Energy+ZPE= 296.5 kJ/mol ZPE= 0.0963319 CONNECTIONS: o TS7 (435.8) o EQ0 o TS149 (378.0) o EQ13 o TS684 (412.0) o EQ67 o TS3273 (306.5) o EQ425 o TS3274 (502.5) o EQ686 o TS3275 (609.3) o EQ2112 o TS3276 (515.2) o DDC194
[ EQ426 ]
Cs ENERGY= 301.1 kJ/mol ( -269.2435171 Hartree) Energy+ZPE= 290.2 kJ/mol ZPE= 0.0938713 CONNECTIONS: o TS3121 (313.6) o EQ398 o TS3277 (317.0) o EQ442 o TS3278 (419.3) o EQ954 o TS3279 (433.2) o EQ990 o TS3280 (424.3) o EQ1100 o TS3281 (553.1) o EQ1854
[ EQ427 ]
C1 ENERGY= 301.1 kJ/mol ( -269.2434989 Hartree) Energy+ZPE= 290.5 kJ/mol ZPE= 0.0940114 CONNECTIONS: o TS3257 (309.5) o EQ422 o TS3258 (311.5) o EQ422 o TS3263 (304.1) o EQ423 o TS3282 (311.0) o EQ436 o TS3283 (630.2) o EQ2297 o TS3284 (633.6) o EQ2313 o TS3285 (642.3) o EQ2325 o TS3286 (783.2) o EQ2518
[ EQ428 ]
C1 ENERGY= 301.3 kJ/mol ( -269.2434351 Hartree) Energy+ZPE= 294.7 kJ/mol ZPE= 0.0955224 CONNECTIONS: o TS2154 (540.2) o EQ255 o TS2186 (541.2) o EQ260 o TS3287 (307.9) o EQ428 o TS3288 (703.2) o EQ428 o TS3289 (367.0) o EQ629 o TS3290 (711.4) o EQ1016 o TS3291 (650.0) o EQ1448 o TS3292 (590.6) o EQ2095 o TS3293 (704.9) o EQ2453 o TS3294 (742.6) o DDC195 o TS3295 (754.3) o DDC196 o UDC103 o o UDC104 o
[ EQ429 ]
Cs ENERGY= 301.3 kJ/mol ( -269.2434077 Hartree) Energy+ZPE= 290.2 kJ/mol ZPE= 0.0938168 CONNECTIONS: o TS3264 (310.6) o EQ423 o TS3296 (305.2) o EQ436 o TS3297 (634.4) o EQ2316
[ EQ430 ]
C1 ENERGY= 301.6 kJ/mol ( -269.2433187 Hartree) Energy+ZPE= 293.4 kJ/mol ZPE= 0.0949139 CONNECTIONS: o TS1327 (499.5) o EQ153 o TS3105 (302.5) o EQ395 o TS3298 (302.3) o EQ431
[ EQ431 ]
C1 ENERGY= 301.8 kJ/mol ( -269.2432196 Hartree) Energy+ZPE= 293.5 kJ/mol ZPE= 0.0948661 CONNECTIONS: o TS2775 (472.0) o EQ338 o TS3106 (311.0) o EQ395 o TS3298 (302.3) o EQ430 o TS3299 (391.3) o EQ431
[ EQ432 ]
C1 ENERGY= 302.1 kJ/mol ( -269.2431295 Hartree) Energy+ZPE= 295.2 kJ/mol ZPE= 0.0953987 CONNECTIONS: o TS24 (465.7) o EQ1 o TS3300 (312.4) o EQ432 o TS3301 (367.4) o EQ629 o TS3302 (605.0) o EQ1127 o TS3303 (591.0) o EQ1995 o TS3304 (745.1) o DDC197
[ EQ433 ]
Cs ENERGY= 302.5 kJ/mol ( -269.2429511 Hartree) Energy+ZPE= 296.4 kJ/mol ZPE= 0.0957256 CONNECTIONS: o TS2925 (641.2) o EQ360 o TS3305 (504.6) o EQ433 o TS3306 (614.7) o EQ511 o TS3307 (603.2) o EQ525 o TS3308 (591.0) o EQ1852 o TS3309 (525.2) o EQ1955 o TS3310 (612.3) o EQ1993 o TS3311 (725.5) o EQ2150 o TS3312 (614.3) o EQ2246 o TS3313 (604.7) o DDC198
[ EQ434 ]
C1 ENERGY= 302.8 kJ/mol ( -269.2428348 Hartree) Energy+ZPE= 293.8 kJ/mol ZPE= 0.0946237 CONNECTIONS: o TS3148 (303.1) o EQ404 o TS3171 (303.5) o EQ409 o TS3314 (551.1) o EQ1755
[ EQ435 ]
C1 ENERGY= 303.1 kJ/mol ( -269.2427485 Hartree) Energy+ZPE= 297.2 kJ/mol ZPE= 0.0957788 CONNECTIONS: o TS1604 (476.4) o EQ186 o TS1605 (513.8) o EQ186 o TS3127 (309.0) o EQ399 o TS3128 (311.1) o EQ399 o TS3315 (574.3) o EQ1134 o TS3316 (486.5) o EQ1292 o TS3317 (518.4) o EQ1354 o TS3318 (515.5) o EQ1894
[ EQ436 ]
C1 ENERGY= 303.6 kJ/mol ( -269.2425454 Hartree) Energy+ZPE= 292.8 kJ/mol ZPE= 0.0939160 CONNECTIONS: o TS1015 (568.8) o EQ111 o TS3259 (312.9) o EQ422 o TS3282 (311.0) o EQ427 o TS3296 (305.2) o EQ429 o TS3319 (522.0) o EQ1876 o TS3320 (517.9) o EQ1932 o TS3321 (634.3) o EQ2307 o TS3322 (636.0) o EQ2322 o TS3323 (644.0) o EQ2324
[ EQ437 ]
C1 ENERGY= 303.8 kJ/mol ( -269.2424657 Hartree) Energy+ZPE= 294.4 kJ/mol ZPE= 0.0944532 CONNECTIONS: o TS3324 (310.7) o EQ437 o TS3325 (315.4) o EQ444 o TS3326 (317.0) o EQ444 o TS3327 (311.3) o EQ446 o TS3328 (477.4) o EQ1647 o TS3329 (478.6) o EQ1647 o TS3330 (608.9) o DDC199 o UDC105 o
[ EQ438 ]
C1 ENERGY= 305.4 kJ/mol ( -269.2418573 Hartree) Energy+ZPE= 306.0 kJ/mol ZPE= 0.0982659 CONNECTIONS: o TS662 (524.4) o EQ64 o TS761 (449.3) o EQ74 o TS762 (449.6) o EQ74 o TS1815 (524.4) o EQ211 o TS3331 (536.8) o EQ575 o TS3332 (502.6) o EQ840 o TS3333 (522.0) o EQ1204 o TS3334 (523.0) o EQ1325 o TS3335 (566.0) o EQ1739 o TS3336 (560.9) o EQ2013 o TS3337 (567.9) o EQ2121
[ EQ439 ]
Cs ENERGY= 305.9 kJ/mol ( -269.2416817 Hartree) Energy+ZPE= 299.5 kJ/mol ZPE= 0.0955959 CONNECTIONS: o TS254 (497.8) o EQ23 o TS2305 (604.8) o EQ277 o TS3338 (308.2) o EQ439 o TS3339 (428.5) o EQ558 o TS3340 (479.1) o EQ837 o UDC106 o
[ EQ440 ]
C1 ENERGY= 306.5 kJ/mol ( -269.2414337 Hartree) Energy+ZPE= 302.4 kJ/mol ZPE= 0.0964594 CONNECTIONS: o TS3202 (549.1) o EQ413 o TS3341 (348.8) o EQ460 o TS3342 (596.1) o EQ2170 o TS3343 (600.4) o EQ2170 o TS3344 (543.6) o DDC200 o TS3345 (697.6) o DDC201
[ EQ441 ]
Cs ENERGY= 307.7 kJ/mol ( -269.2409713 Hartree) Energy+ZPE= 297.0 kJ/mol ZPE= 0.0939488 CONNECTIONS: o TS3160 (397.3) o EQ406 o TS3346 (340.7) o EQ472 o TS3347 (343.5) o EQ479
[ EQ442 ]
C1 ENERGY= 307.8 kJ/mol ( -269.2409610 Hartree) Energy+ZPE= 296.9 kJ/mol ZPE= 0.0938788 CONNECTIONS: o TS511 (446.7) o EQ46 o TS3246 (321.3) o EQ420 o TS3277 (317.0) o EQ426 o TS3348 (556.7) o EQ950 o TS3349 (448.1) o EQ1036 o TS3350 (449.3) o EQ1036 o TS3351 (423.5) o EQ1069 o TS3352 (580.7) o EQ1803 o TS3353 (575.9) o EQ1815 o TS3354 (552.9) o EQ1828 o UDC107 o
[ EQ443 ]
C1 ENERGY= 308.3 kJ/mol ( -269.2407607 Hartree) Energy+ZPE= 298.6 kJ/mol ZPE= 0.0943261 CONNECTIONS: o TS3355 (317.3) o EQ443 o TS3356 (332.0) o EQ456 o TS3357 (329.9) o EQ496 o TS3358 (451.4) o EQ1322 o TS3359 (453.8) o EQ1322 o TS3360 (453.0) o EQ1458 o TS3361 (455.9) o EQ1467 o TS3362 (495.5) o EQ1496 o TS3363 (491.9) o EQ1651 o TS3364 (804.0) o DDC202 o UDC108 o
[ EQ444 ]
C1 ENERGY= 308.6 kJ/mol ( -269.2406472 Hartree) Energy+ZPE= 298.9 kJ/mol ZPE= 0.0943512 CONNECTIONS: o TS2083 (592.3) o EQ246 o TS3325 (315.4) o EQ437 o TS3326 (317.0) o EQ437 o TS3365 (313.3) o EQ444 o TS3366 (544.5) o EQ449 o TS3367 (318.4) o EQ465 o TS3368 (486.6) o EQ502 o TS3369 (551.9) o EQ895 o TS3370 (474.7) o EQ1600 o TS3371 (486.8) o EQ1635 o TS3372 (481.4) o EQ1680 o UDC109 o
[ EQ445 ]
Cs ENERGY= 308.7 kJ/mol ( -269.2406111 Hartree) Energy+ZPE= 301.9 kJ/mol ZPE= 0.0954426 CONNECTIONS: o TS79 (365.6) o EQ6 o TS1328 (390.9) o EQ153 o TS1521 (441.4) o EQ175 o TS3373 (350.8) o EQ512 o TS3374 (606.2) o DDC203
[ EQ446 ]
Cs ENERGY= 308.9 kJ/mol ( -269.2405449 Hartree) Energy+ZPE= 298.6 kJ/mol ZPE= 0.0941138 CONNECTIONS: o TS3327 (311.3) o EQ437 o TS3375 (322.8) o EQ465 o TS3376 (479.1) o EQ1656 o TS3377 (500.8) o EQ1784 o TS3378 (501.9) o EQ1784 o TS3379 (610.4) o DDC204
[ EQ447 ]
Cs ENERGY= 309.2 kJ/mol ( -269.2404334 Hartree) Energy+ZPE= 303.1 kJ/mol ZPE= 0.0956944 CONNECTIONS: o TS2016 (580.5) o EQ239 o TS2017 (590.7) o EQ239 o TS3380 (502.0) o EQ1607 o TS3381 (680.8) o DDC205
[ EQ448 ]
Cs ENERGY= 309.2 kJ/mol ( -269.2404276 Hartree) Energy+ZPE= 299.3 kJ/mol ZPE= 0.0942696 CONNECTIONS: o TS1111 (410.6) o EQ124 o TS1209 (447.6) o EQ137 o TS3062 (403.7) o EQ386 o TS3227 (400.9) o EQ416 o TS3382 (342.2) o EQ501
[ EQ449 ]
C1 ENERGY= 309.4 kJ/mol ( -269.2403244 Hartree) Energy+ZPE= 299.4 kJ/mol ZPE= 0.0942098 CONNECTIONS: o TS3366 (544.5) o EQ444 o TS3383 (486.9) o EQ1698 o TS3384 (656.7) o DDC206
[ EQ450 ]
C1 ENERGY= 309.8 kJ/mol ( -269.2401949 Hartree) Energy+ZPE= 301.1 kJ/mol ZPE= 0.0947316 CONNECTIONS: o TS3161 (331.4) o EQ406 o TS3183 (389.7) o EQ411 o TS3385 (309.9) o EQ450 o TS3386 (411.0) o EQ479 o TS3387 (349.7) o EQ483 o TS3388 (350.0) o EQ483 o TS3389 (596.3) o EQ1214
[ EQ451 ]
C1 ENERGY= 310.1 kJ/mol ( -269.2400687 Hartree) Energy+ZPE= 299.9 kJ/mol ZPE= 0.0941350 CONNECTIONS: o TS3172 (320.1) o EQ409 o TS3173 (322.3) o EQ409 o TS3253 (314.8) o EQ421 o TS3390 (312.1) o EQ451 o TS3391 (465.6) o EQ1454 o TS3392 (576.7) o EQ1809 o TS3393 (548.9) o EQ1814 o TS3394 (552.7) o EQ1814
[ EQ452 ]
C1 ENERGY= 310.3 kJ/mol ( -269.2400143 Hartree) Energy+ZPE= 302.2 kJ/mol ZPE= 0.0949317 CONNECTIONS: o TS350 (507.3) o EQ30 o TS3395 (496.5) o EQ452 o TS3396 (561.9) o EQ1787 o TS3397 (558.2) o EQ1797 o TS3398 (500.1) o EQ1859 o TS3399 (646.3) o EQ1859 o TS3400 (586.5) o EQ1979 o TS3401 (558.0) o EQ2065 o TS3402 (529.3) o DDC207 o TS3403 (632.2) o DDC208
[ EQ453 ]
Cs ENERGY= 310.5 kJ/mol ( -269.2399096 Hartree) Energy+ZPE= 298.6 kJ/mol ZPE= 0.0934956 CONNECTIONS: o TS3404 (319.7) o EQ453 o TS3405 (317.5) o EQ459 o TS3406 (528.4) o EQ922
[ EQ454 ]
C1 ENERGY= 311.4 kJ/mol ( -269.2395808 Hartree) Energy+ZPE= 303.3 kJ/mol ZPE= 0.0949509 CONNECTIONS: o TS3162 (335.5) o EQ406 o TS3407 (315.2) o EQ454 o TS3408 (407.3) o EQ472 o TS3409 (347.9) o EQ483 o TS3410 (348.4) o EQ483 o TS3411 (648.9) o EQ2281
[ EQ455 ]
C1 ENERGY= 312.1 kJ/mol ( -269.2392955 Hartree) Energy+ZPE= 307.4 kJ/mol ZPE= 0.0962601 CONNECTIONS: o TS2795 (359.0) o EQ340 o TS3412 (312.2) o EQ455 o TS3413 (507.2) o EQ564 o TS3414 (529.7) o EQ1170 o TS3415 (572.8) o EQ1495 o TS3416 (603.0) o EQ1550 o UDC110 o o UDC111 o
[ EQ456 ]
C1 ENERGY= 312.9 kJ/mol ( -269.2389885 Hartree) Energy+ZPE= 301.3 kJ/mol ZPE= 0.0936023 CONNECTIONS: o TS2127 (577.2) o EQ251 o TS3356 (332.0) o EQ443 o TS3417 (313.4) o EQ456 o TS3418 (317.9) o EQ466 o TS3419 (334.9) o EQ496 o TS3420 (447.9) o EQ1251 o TS3421 (450.9) o EQ1396 o TS3422 (501.9) o EQ1590 o TS3423 (483.2) o EQ1610 o TS3424 (571.0) o EQ2041 o TS3425 (574.2) o DDC209 o TS3426 (585.4) o DDC210 o TS3427 (761.8) o DDC211
[ EQ457 ]
Cs ENERGY= 313.5 kJ/mol ( -269.2387672 Hartree) Energy+ZPE= 303.1 kJ/mol ZPE= 0.0940617 CONNECTIONS: o TS3428 (324.1) o EQ457 o TS3429 (339.0) o EQ470 o TS3430 (361.3) o EQ470 o TS3431 (563.3) o EQ490
[ EQ458 ]
Cs ENERGY= 313.9 kJ/mol ( -269.2386266 Hartree) Energy+ZPE= 304.4 kJ/mol ZPE= 0.0944291 CONNECTIONS: o TS3432 (318.7) o EQ458 o TS3433 (345.2) o EQ461 o TS3434 (756.3) o EQ640 o TS3435 (730.6) o DDC212
[ EQ459 ]
C1 ENERGY= 314.1 kJ/mol ( -269.2385434 Hartree) Energy+ZPE= 301.8 kJ/mol ZPE= 0.0933600 CONNECTIONS: o TS3405 (317.5) o EQ453 o TS3436 (317.0) o EQ459 o TS3437 (325.2) o EQ459 o TS3438 (548.9) o EQ1025 o TS3439 (581.2) o EQ1415 o TS3440 (596.8) o EQ1578
[ EQ460 ]
Cs ENERGY= 314.9 kJ/mol ( -269.2382295 Hartree) Energy+ZPE= 304.7 kJ/mol ZPE= 0.0941613 CONNECTIONS: o TS306 (323.6) o EQ27 o TS3203 (411.6) o EQ413 o TS3204 (479.8) o EQ413 o TS3341 (348.8) o EQ440 o TS3441 (359.8) o EQ500
[ EQ461 ]
Cs ENERGY= 315.5 kJ/mol ( -269.2380177 Hartree) Energy+ZPE= 305.4 kJ/mol ZPE= 0.0942001 CONNECTIONS: o TS3433 (345.2) o EQ458 o TS3442 (317.7) o EQ461 o TS3443 (544.7) o EQ461 o TS3444 (723.3) o DDC213 o TS3445 (744.6) o DDC214
[ EQ462 ]
C1 ENERGY= 316.1 kJ/mol ( -269.2377888 Hartree) Energy+ZPE= 303.8 kJ/mol ZPE= 0.0933374 CONNECTIONS: o TS29 (338.0) o EQ2 o TS351 (374.2) o EQ30 o TS3446 (319.1) o EQ462 o TS3447 (736.3) o EQ2493 o TS3448 (740.3) o EQ2495 o TS3449 (742.3) o EQ2496 o TS3450 (535.6) o DDC215 o TS3451 (553.3) o DDC216
[ EQ463 ]
C1 ENERGY= 316.3 kJ/mol ( -269.2377094 Hartree) Energy+ZPE= 301.8 kJ/mol ZPE= 0.0925165 CONNECTIONS: o TS215 (395.1) o EQ18 o TS561 (353.3) o EQ51 o TS1513 (383.4) o EQ174 o TS3452 (316.6) o EQ463 o TS3453 (317.0) o EQ463 o TS3454 (349.3) o EQ539 o TS3455 (471.1) o EQ1055 o TS3456 (522.3) o EQ1770
[ EQ464 ]
C1 ENERGY= 316.4 kJ/mol ( -269.2376618 Hartree) Energy+ZPE= 307.4 kJ/mol ZPE= 0.0946022 CONNECTIONS: o TS3457 (333.2) o EQ476 o TS3458 (322.7) o EQ478 o TS3459 (333.2) o EQ478 o TS3460 (332.1) o EQ489 o TS3461 (560.1) o EQ1020 o TS3462 (597.0) o EQ1923
[ EQ465 ]
C1 ENERGY= 316.6 kJ/mol ( -269.2376097 Hartree) Energy+ZPE= 306.2 kJ/mol ZPE= 0.0940618 CONNECTIONS: o TS1880 (727.2) o EQ221 o TS3367 (318.4) o EQ444 o TS3375 (322.8) o EQ446 o TS3463 (317.0) o EQ465 o TS3464 (576.7) o EQ465 o TS3465 (492.5) o EQ1778 o TS3466 (603.9) o EQ2018 o TS3467 (602.4) o DDC217
[ EQ466 ]
C1 ENERGY= 317.4 kJ/mol ( -269.2372825 Hartree) Energy+ZPE= 306.1 kJ/mol ZPE= 0.0937372 CONNECTIONS: o TS3418 (317.9) o EQ456 o TS3468 (318.0) o EQ466 o TS3469 (616.0) o EQ572 o TS3470 (480.2) o EQ1261 o TS3471 (486.5) o EQ1261 o TS3472 (449.8) o EQ1300 o TS3473 (448.8) o EQ1398 o TS3474 (477.7) o EQ1661
[ EQ467 ]
Cs ENERGY= 317.8 kJ/mol ( -269.2371358 Hartree) Energy+ZPE= 309.9 kJ/mol ZPE= 0.0950307 CONNECTIONS: o TS89 (320.6) o EQ7 o TS2450 (516.1) o EQ294 o TS3184 (416.3) o EQ411 o TS3228 (341.6) o EQ416
[ EQ468 ]
C1 ENERGY= 318.9 kJ/mol ( -269.2367168 Hartree) Energy+ZPE= 315.2 kJ/mol ZPE= 0.0966236 CONNECTIONS: o TS685 (422.6) o EQ67 o TS686 (426.1) o EQ67 o TS3475 (663.9) o EQ1030 o TS3476 (596.3) o EQ2112 o TS3477 (627.2) o EQ2296 o TS3478 (701.6) o EQ2397 o TS3479 (693.1) o EQ2408 o TS3480 (493.3) o DDC218 o TS3481 (536.2) o DDC219
[ EQ469 ]
Cs ENERGY= 319.0 kJ/mol ( -269.2366966 Hartree) Energy+ZPE= 309.2 kJ/mol ZPE= 0.0943043 CONNECTIONS: o TS3482 (479.9) o EQ469 o TS3483 (652.4) o EQ469 o TS3484 (342.5) o EQ474 o TS3485 (337.7) o EQ492 o TS3486 (654.5) o EQ492 o TS3487 (523.8) o EQ1966 o TS3488 (654.3) o EQ2350 o TS3489 (697.5) o EQ2403 o TS3490 (732.8) o EQ2407
[ EQ470 ]
Cs ENERGY= 319.1 kJ/mol ( -269.2366631 Hartree) Energy+ZPE= 307.5 kJ/mol ZPE= 0.0936258 CONNECTIONS: o TS3232 (708.3) o EQ417 o TS3429 (339.0) o EQ457 o TS3430 (361.3) o EQ457 o TS3491 (329.6) o EQ470 o TS3492 (442.2) o EQ1272
[ EQ471 ]
Cs ENERGY= 319.3 kJ/mol ( -269.2365678 Hartree) Energy+ZPE= 309.4 kJ/mol ZPE= 0.0942707 CONNECTIONS: o TS3493 (327.1) o EQ471 o TS3494 (341.4) o EQ490 o TS3495 (389.0) o EQ505 o TS3496 (570.0) o EQ922 o TS3497 (452.9) o EQ1113 o TS3498 (447.7) o EQ1404 o TS3499 (448.1) o EQ1404
[ EQ472 ]
C1 ENERGY= 319.4 kJ/mol ( -269.2365241 Hartree) Energy+ZPE= 309.5 kJ/mol ZPE= 0.0942638 CONNECTIONS: o TS3346 (340.7) o EQ441 o TS3408 (407.3) o EQ454 o TS3500 (336.8) o EQ472 o TS3501 (354.2) o EQ506 o TS3502 (355.4) o EQ506 o TS3503 (587.7) o EQ1558
[ EQ473 ]
C1 ENERGY= 320.0 kJ/mol ( -269.2363208 Hartree) Energy+ZPE= 314.7 kJ/mol ZPE= 0.0960178 CONNECTIONS: o TS812 (425.7) o EQ81 o TS3504 (334.3) o EQ473 o TS3505 (410.8) o EQ529 o TS3506 (490.7) o EQ914 o TS3507 (516.3) o EQ1027 o TS3508 (641.3) o EQ1783
[ EQ474 ]
Cs ENERGY= 320.0 kJ/mol ( -269.2363084 Hartree) Energy+ZPE= 309.9 kJ/mol ZPE= 0.0942013 CONNECTIONS: o TS740 (536.2) o EQ72 o TS741 (537.8) o EQ72 o TS3484 (342.5) o EQ469 o TS3509 (646.7) o EQ474 o TS3510 (335.5) o EQ477 o TS3511 (454.8) o EQ762 o TS3512 (529.6) o EQ1966 o TS3513 (573.9) o EQ2041 o TS3514 (619.8) o EQ2041 o TS3515 (649.0) o EQ2343 o TS3516 (657.8) o EQ2351 o TS3517 (697.4) o EQ2407 o TS3518 (730.2) o EQ2407
[ EQ475 ]
C1 ENERGY= 320.8 kJ/mol ( -269.2360102 Hartree) Energy+ZPE= 313.1 kJ/mol ZPE= 0.0950863 CONNECTIONS: o TS3229 (337.4) o EQ416 o TS3519 (326.5) o EQ475 o TS3520 (418.8) o EQ501 o TS3521 (358.9) o EQ531 o TS3522 (356.9) o EQ547 o TS3523 (627.9) o EQ933 o TS3524 (578.6) o EQ1498
[ EQ476 ]
C1 ENERGY= 321.6 kJ/mol ( -269.2356882 Hartree) Energy+ZPE= 312.4 kJ/mol ZPE= 0.0945379 CONNECTIONS: o TS2375 (599.8) o EQ285 o TS3457 (333.2) o EQ464 o TS3525 (322.7) o EQ478 o TS3526 (332.0) o EQ498 o TS3527 (591.1) o EQ1098 o TS3528 (597.1) o EQ1847
[ EQ477 ]
Cs ENERGY= 321.7 kJ/mol ( -269.2356407 Hartree) Energy+ZPE= 312.8 kJ/mol ZPE= 0.0946281 CONNECTIONS: o TS323 (493.5) o EQ28 o TS3510 (335.5) o EQ474 o TS3529 (658.0) o EQ477 o TS3530 (339.3) o EQ492 o TS3531 (480.3) o EQ1748 o TS3532 (481.0) o EQ1748 o TS3533 (654.7) o EQ2351 o TS3534 (561.7) o DDC220
[ EQ478 ]
C1 ENERGY= 322.1 kJ/mol ( -269.2354888 Hartree) Energy+ZPE= 312.2 kJ/mol ZPE= 0.0942789 CONNECTIONS: o TS3458 (322.7) o EQ464 o TS3459 (333.2) o EQ464 o TS3525 (322.7) o EQ476 o TS3535 (328.8) o EQ489 o TS3536 (565.8) o EQ1079 o TS3537 (598.8) o EQ2158
[ EQ479 ]
C1 ENERGY= 322.4 kJ/mol ( -269.2353694 Hartree) Energy+ZPE= 311.2 kJ/mol ZPE= 0.0937571 CONNECTIONS: o TS3196 (403.7) o EQ412 o TS3347 (343.5) o EQ441 o TS3386 (411.0) o EQ450 o TS3538 (322.7) o EQ479 o TS3539 (354.7) o EQ506 o TS3540 (355.3) o EQ506 o TS3541 (608.7) o EQ1309
[ EQ480 ]
Cs ENERGY= 323.1 kJ/mol ( -269.2351220 Hartree) Energy+ZPE= 316.1 kJ/mol ZPE= 0.0953874 CONNECTIONS: o TS3542 (332.5) o EQ480 o TS3543 (326.4) o EQ485 o TS3544 (371.2) o EQ516 o TS3545 (656.3) o DDC221
[ EQ481 ]
C1 ENERGY= 323.6 kJ/mol ( -269.2349384 Hartree) Energy+ZPE= 320.9 kJ/mol ZPE= 0.0970234 CONNECTIONS: o TS255 (490.8) o EQ23 o TS340 (402.4) o EQ29 o TS3546 (346.5) o EQ481 o TS3547 (385.3) o EQ482 o TS3548 (412.7) o EQ482 o TS3549 (465.7) o EQ861 o TS3550 (500.5) o EQ1573
[ EQ482 ]
C1 ENERGY= 323.8 kJ/mol ( -269.2348597 Hartree) Energy+ZPE= 321.4 kJ/mol ZPE= 0.0971292 CONNECTIONS: o TS3547 (385.3) o EQ481 o TS3548 (412.7) o EQ481 o TS3551 (382.8) o EQ585 o TS3552 (584.5) o EQ605 o TS3553 (419.4) o EQ621 o TS3554 (521.7) o EQ1028 o TS3555 (439.7) o DDC222 o TS3556 (729.5) o DDC223
[ EQ483 ]
C1 ENERGY= 324.1 kJ/mol ( -269.2347369 Hartree) Energy+ZPE= 315.6 kJ/mol ZPE= 0.0947988 CONNECTIONS: o TS3387 (349.7) o EQ450 o TS3388 (350.0) o EQ450 o TS3409 (347.9) o EQ454 o TS3410 (348.4) o EQ454 o TS3557 (330.5) o EQ483 o TS3558 (430.2) o EQ506 o TS3559 (673.1) o EQ862 o TS3560 (618.2) o EQ1269 o TS3561 (577.6) o EQ1373 o TS3562 (544.8) o EQ1516
[ EQ484 ]
C1 ENERGY= 324.3 kJ/mol ( -269.2346520 Hartree) Energy+ZPE= 309.2 kJ/mol ZPE= 0.0922675 CONNECTIONS: o TS391 (341.5) o EQ34 o TS507 (382.6) o EQ45 o TS1514 (339.7) o EQ174 o TS1547 (335.9) o EQ179 o TS3563 (325.2) o EQ484 o TS3564 (352.2) o EQ484 o TS3565 (348.6) o EQ515 o TS3566 (345.9) o EQ533 o TS3567 (371.8) o EQ595
[ EQ485 ]
C1 ENERGY= 324.5 kJ/mol ( -269.2346068 Hartree) Energy+ZPE= 317.4 kJ/mol ZPE= 0.0953438 CONNECTIONS: o TS3543 (326.4) o EQ480 o TS3568 (372.1) o EQ519 o TS3569 (613.0) o EQ646
[ EQ486 ]
C1 ENERGY= 324.7 kJ/mol ( -269.2344988 Hartree) Energy+ZPE= 315.7 kJ/mol ZPE= 0.0946183 CONNECTIONS: o TS524 (516.3) o EQ47 o TS2827 (651.7) o EQ346 o TS3570 (330.7) o EQ486 o TS3571 (331.3) o EQ497 o TS3572 (622.2) o EQ2251 o TS3573 (612.8) o EQ2253 o TS3574 (614.9) o EQ2257 o TS3575 (650.2) o EQ2341 o TS3576 (652.7) o EQ2348 o TS3577 (769.1) o EQ2518 o TS3578 (804.6) o DDC224
[ EQ487 ]
C1 ENERGY= 325.6 kJ/mol ( -269.2341742 Hartree) Energy+ZPE= 316.8 kJ/mol ZPE= 0.0946990 CONNECTIONS: o TS2503 (550.5) o EQ300 o TS2525 (385.7) o EQ304 o TS3579 (327.2) o EQ487 o TS3580 (340.4) o EQ493 o TS3581 (356.4) o EQ509 o TS3582 (357.2) o EQ509
[ EQ488 ]
Cs ENERGY= 325.6 kJ/mol ( -269.2341618 Hartree) Energy+ZPE= 312.7 kJ/mol ZPE= 0.0931075 CONNECTIONS: o TS813 (356.5) o EQ81 o TS2285 (409.9) o EQ273 o TS2290 (414.1) o EQ274 o TS3583 (327.5) o EQ488 o TS3584 (359.8) o EQ544
[ EQ489 ]
C1 ENERGY= 325.7 kJ/mol ( -269.2341201 Hartree) Energy+ZPE= 315.8 kJ/mol ZPE= 0.0942811 CONNECTIONS: o TS1971 (613.9) o EQ231 o TS3460 (332.1) o EQ464 o TS3535 (328.8) o EQ478 o TS3585 (336.7) o EQ489 o TS3586 (331.5) o EQ498 o TS3587 (600.2) o EQ2158
[ EQ490 ]
Cs ENERGY= 326.3 kJ/mol ( -269.2338930 Hartree) Energy+ZPE= 315.3 kJ/mol ZPE= 0.0938350 CONNECTIONS: o TS3431 (563.3) o EQ457 o TS3494 (341.4) o EQ471 o TS3588 (334.5) o EQ490 o TS3589 (425.0) o EQ1113 o TS3590 (469.2) o EQ1221
[ EQ491 ]
Cs ENERGY= 326.7 kJ/mol ( -269.2337454 Hartree) Energy+ZPE= 316.4 kJ/mol ZPE= 0.0941200 CONNECTIONS: o TS70 (333.5) o EQ5 o TS3591 (351.3) o EQ550 o TS3592 (471.3) o DDC225
[ EQ492 ]
C1 ENERGY= 327.0 kJ/mol ( -269.2336374 Hartree) Energy+ZPE= 317.8 kJ/mol ZPE= 0.0945400 CONNECTIONS: o TS3485 (337.7) o EQ469 o TS3486 (654.5) o EQ469 o TS3530 (339.3) o EQ477 o TS3593 (328.3) o EQ492 o TS3594 (442.2) o EQ598 o TS3595 (531.4) o EQ1999 o TS3596 (531.9) o EQ1999 o TS3597 (653.6) o EQ2350 o TS3598 (653.8) o EQ2350 o TS3599 (700.9) o EQ2403
[ EQ493 ]
Cs ENERGY= 327.2 kJ/mol ( -269.2335723 Hartree) Energy+ZPE= 318.8 kJ/mol ZPE= 0.0948521 CONNECTIONS: o TS3580 (340.4) o EQ487 o TS3600 (346.4) o EQ494 o TS3601 (430.0) o EQ507
[ EQ494 ]
C1 ENERGY= 327.4 kJ/mol ( -269.2334857 Hartree) Energy+ZPE= 318.5 kJ/mol ZPE= 0.0946516 CONNECTIONS: o TS2765 (452.2) o EQ337 o TS3600 (346.4) o EQ493 o TS3602 (330.5) o EQ494 o TS3603 (430.9) o EQ508 o TS3604 (353.9) o EQ509
[ EQ495 ]
Cs ENERGY= 327.4 kJ/mol ( -269.2334816 Hartree) Energy+ZPE= 317.2 kJ/mol ZPE= 0.0941438 CONNECTIONS: o TS3605 (334.8) o EQ495 o TS3606 (343.9) o EQ505
[ EQ496 ]
C1 ENERGY= 327.9 kJ/mol ( -269.2333067 Hartree) Energy+ZPE= 318.1 kJ/mol ZPE= 0.0943121 CONNECTIONS: o TS3357 (329.9) o EQ443 o TS3419 (334.9) o EQ456 o TS3607 (494.1) o EQ1785
[ EQ497 ]
Cs ENERGY= 328.0 kJ/mol ( -269.2332389 Hartree) Energy+ZPE= 319.3 kJ/mol ZPE= 0.0947409 CONNECTIONS: o TS3571 (331.3) o EQ486 o TS3608 (615.2) o EQ2256 o TS3609 (672.0) o DDC226
[ EQ498 ]
C1 ENERGY= 329.2 kJ/mol ( -269.2328165 Hartree) Energy+ZPE= 318.7 kJ/mol ZPE= 0.0940330 CONNECTIONS: o TS1985 (750.1) o EQ234 o TS3526 (332.0) o EQ476 o TS3586 (331.5) o EQ489 o TS3610 (614.2) o EQ1927
[ EQ499 ]
C1 ENERGY= 329.3 kJ/mol ( -269.2327702 Hartree) Energy+ZPE= 320.6 kJ/mol ZPE= 0.0947044 CONNECTIONS: o TS377 (395.3) o EQ32 o TS385 (429.8) o EQ33 o TS3611 (351.8) o EQ504 o TS3612 (348.0) o EQ552 o TS3613 (560.7) o EQ678 o TS3614 (578.8) o EQ678 o TS3615 (491.9) o EQ762 o TS3616 (491.0) o EQ971 o TS3617 (460.5) o EQ1250
[ EQ500 ]
C1 ENERGY= 329.3 kJ/mol ( -269.2327666 Hartree) Energy+ZPE= 326.3 kJ/mol ZPE= 0.0969049 CONNECTIONS: o TS2166 (530.8) o EQ256 o TS3205 (464.9) o EQ413 o TS3441 (359.8) o EQ460 o TS3618 (401.6) o EQ841 o TS3619 (486.3) o EQ1528 o TS3620 (468.2) o EQ1545 o TS3621 (464.7) o EQ1571 o TS3622 (531.2) o EQ1697 o TS3623 (542.1) o EQ2013
[ EQ501 ]
C1 ENERGY= 329.6 kJ/mol ( -269.2326337 Hartree) Energy+ZPE= 320.2 kJ/mol ZPE= 0.0944645 CONNECTIONS: o TS290 (360.0) o EQ26 o TS3382 (342.2) o EQ448 o TS3520 (418.8) o EQ475 o TS3624 (368.4) o EQ550 o TS3625 (625.7) o EQ1558
[ EQ502 ]
C1 ENERGY= 330.3 kJ/mol ( -269.2323972 Hartree) Energy+ZPE= 320.7 kJ/mol ZPE= 0.0943837 CONNECTIONS: o TS3368 (486.6) o EQ444 o TS3626 (334.4) o EQ502 o TS3627 (479.1) o EQ1521 o TS3628 (533.3) o EQ1597 o TS3629 (508.1) o EQ1646 o TS3630 (502.1) o EQ1705 o TS3631 (486.2) o EQ1743 o TS3632 (486.5) o EQ1770 o TS3633 (503.4) o EQ1849 o TS3634 (515.7) o EQ1852
[ EQ503 ]
C1 ENERGY= 331.2 kJ/mol ( -269.2320280 Hartree) Energy+ZPE= 316.5 kJ/mol ZPE= 0.0924472 CONNECTIONS: o TS859 (352.7) o EQ87 o TS860 (386.2) o EQ87 o TS3635 (336.3) o EQ503 o TS3636 (336.8) o EQ503 o TS3637 (337.3) o EQ510 o TS3638 (358.7) o EQ568
[ EQ504 ]
C1 ENERGY= 331.2 kJ/mol ( -269.2320275 Hartree) Energy+ZPE= 322.4 kJ/mol ZPE= 0.0946850 CONNECTIONS: o TS270 (445.3) o EQ24 o TS307 (411.2) o EQ27 o TS3611 (351.8) o EQ499 o TS3639 (348.0) o EQ552 o TS3640 (559.6) o EQ661 o TS3641 (484.9) o EQ871 o TS3642 (458.8) o EQ1173 o TS3643 (686.0) o EQ2101
[ EQ505 ]
C1 ENERGY= 331.4 kJ/mol ( -269.2319470 Hartree) Energy+ZPE= 319.3 kJ/mol ZPE= 0.0934278 CONNECTIONS: o TS3495 (389.0) o EQ471 o TS3606 (343.9) o EQ495 o TS3644 (338.7) o EQ505 o TS3645 (556.6) o EQ829 o TS3646 (426.3) o EQ1113
[ EQ506 ]
C1 ENERGY= 331.7 kJ/mol ( -269.2318467 Hartree) Energy+ZPE= 321.5 kJ/mol ZPE= 0.0941503 CONNECTIONS: o TS3185 (444.6) o EQ411 o TS3501 (354.2) o EQ472 o TS3502 (355.4) o EQ472 o TS3539 (354.7) o EQ479 o TS3540 (355.3) o EQ479 o TS3558 (430.2) o EQ483 o TS3647 (351.7) o EQ506
[ EQ507 ]
C1 ENERGY= 331.8 kJ/mol ( -269.2318014 Ha