Reaction Routes of
H3N3O
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/6-31G*
© 2009 Koichi OHNO
Explored: EQ96 TS631
Cs ENERGY= 0.0 kJ/mol ( -241.2046455 Hartree)
Energy+ZPE= 0.0 kJ/mol ZPE= 0.0459011
CONNECTIONS:
C1 ENERGY= 71.8 kJ/mol ( -241.1772983 Hartree)
Energy+ZPE= 84.1 kJ/mol ZPE= 0.0506015
CONNECTIONS:
o TS0 ( 77.0) o EQ1
o TS1 (128.8) o EQ1
o TS2 (131.2) o EQ1
o TS3 (162.5) o EQ1
o TS4 (399.5) o EQ2
o TS5 (271.5) o EQ3
o TS6 (313.0) o EQ4
o TS7 (101.9) o EQ7
o TS8 (372.6) o EQ19
o TS9 (545.7) o EQ28
o TS10 (581.9) o EQ28
o TS11 (399.8) o EQ32
o TS12 (421.6) o EQ72
o TS13 (181.7) o DDC0
o TS14 (363.4) o DDC1
o TS15 (413.4) o DDC2
o UDC0 o
o UDC1 o
C1 ENERGY= 87.0 kJ/mol ( -241.1715188 Hartree)
Energy+ZPE= 98.6 kJ/mol ZPE= 0.0503072
CONNECTIONS:
o TS4 (399.5) o EQ1
o TS16 ( 97.9) o EQ2
o TS17 (121.6) o EQ2
o TS18 (129.3) o EQ2
o TS19 (115.5) o EQ3
o TS20 (117.8) o EQ3
o TS21 (289.4) o EQ7
o TS22 (248.7) o EQ8
o TS23 (310.3) o EQ17
o TS24 (388.7) o EQ70
o TS25 (725.9) o EQ93
o TS26 (446.2) o DDC3
o UDC2 o
o UDC3 o
C1 ENERGY= 91.1 kJ/mol ( -241.1699436 Hartree)
Energy+ZPE= 102.6 kJ/mol ZPE= 0.0502869
CONNECTIONS:
o TS5 (271.5) o EQ1
o TS19 (115.5) o EQ2
o TS20 (117.8) o EQ2
o TS27 (100.4) o EQ3
o TS28 (127.4) o EQ3
o TS29 (139.6) o EQ3
o TS30 (413.5) o EQ3
o TS31 (546.3) o EQ3
o TS32 (413.0) o EQ7
o TS33 (351.7) o EQ13
o TS34 (302.3) o EQ15
o TS35 (364.7) o EQ22
o TS36 (389.2) o EQ28
o TS37 (414.5) o EQ36
o TS38 (395.3) o EQ72
o TS39 (738.2) o EQ93
o UDC4 o
o UDC5 o
o UDC6 o
C1 ENERGY= 97.0 kJ/mol ( -241.1676819 Hartree)
Energy+ZPE= 113.1 kJ/mol ZPE= 0.0520472
CONNECTIONS:
o TS6 (313.0) o EQ1
o TS40 (103.7) o EQ4
o TS41 (145.7) o EQ4
o TS42 (153.1) o EQ4
o TS43 (166.5) o EQ12
o TS44 (327.3) o EQ13
o TS45 (344.0) o EQ13
o TS46 (290.4) o EQ16
o TS47 (450.3) o EQ37
o TS48 (401.0) o EQ38
o TS49 (430.7) o EQ51
o TS50 (374.6) o EQ55
o TS51 (317.8) o DDC4
o UDC7 o
o UDC8 o
C1 ENERGY= 97.9 kJ/mol ( -241.1673607 Hartree)
Energy+ZPE= 110.5 kJ/mol ZPE= 0.0506928
CONNECTIONS:
o TS52 ( 99.0) o EQ5
o TS53 (191.3) o EQ8
o TS54 (200.8) o EQ8
o TS55 (395.4) o EQ8
o TS56 (131.2) o EQ10
o TS57 (131.6) o EQ10
o TS58 (136.5) o EQ10
o TS59 (426.3) o EQ11
o TS60 (231.7) o EQ19
o TS61 (336.2) o EQ21
o TS62 (196.0) o EQ23
o TS63 (331.1) o EQ60
o TS64 (528.1) o EQ86
o TS65 (539.3) o EQ87
o TS66 (324.9) o DDC5
o TS67 (377.2) o DDC6
o TS68 (432.3) o DDC7
o TS69 (466.6) o DDC8
o UDC9 o
C1 ENERGY= 98.7 kJ/mol ( -241.1670356 Hartree)
Energy+ZPE= 115.5 kJ/mol ZPE= 0.0522820
CONNECTIONS:
o TS70 (112.6) o EQ6
o TS71 (132.0) o EQ6
o TS72 (137.5) o EQ6
o TS73 (283.5) o EQ6
o TS74 (413.2) o EQ8
o TS75 (239.7) o EQ11
o TS76 (275.1) o EQ18
o TS77 (316.9) o EQ22
o TS78 (479.5) o EQ25
o TS79 (443.4) o EQ55
o TS80 (454.6) o EQ59
o TS81 (459.0) o EQ59
o TS82 (628.7) o EQ64
o UDC10 o
o UDC11 o
C1 ENERGY= 100.9 kJ/mol ( -241.1662031 Hartree)
Energy+ZPE= 112.2 kJ/mol ZPE= 0.0502046
CONNECTIONS:
o TS7 (101.9) o EQ1
o TS21 (289.4) o EQ2
o TS32 (413.0) o EQ3
o TS83 (102.8) o EQ7
o TS84 (141.5) o DDC9
o TS85 (514.3) o DDC10
C1 ENERGY= 110.3 kJ/mol ( -241.1626225 Hartree)
Energy+ZPE= 120.8 kJ/mol ZPE= 0.0499062
CONNECTIONS:
o TS22 (248.7) o EQ2
o TS53 (191.3) o EQ5
o TS54 (200.8) o EQ5
o TS55 (395.4) o EQ5
o TS74 (413.2) o EQ6
o TS86 (133.0) o EQ9
o TS87 (139.7) o EQ9
o TS88 (377.5) o EQ13
o TS89 (363.6) o EQ34
o TS90 (345.5) o EQ45
o TS91 (498.8) o EQ87
o TS92 (323.4) o DDC11
o TS93 (469.8) o DDC12
o TS94 (596.0) o DDC13
o UDC12 o
Cs ENERGY= 120.9 kJ/mol ( -241.1585912 Hartree)
Energy+ZPE= 131.1 kJ/mol ZPE= 0.0497900
CONNECTIONS:
o TS86 (133.0) o EQ8
o TS87 (139.7) o EQ8
o TS95 (206.5) o EQ10
o TS96 (213.9) o EQ10
o TS97 (439.2) o EQ52
o TS98 (487.9) o EQ86
C1 ENERGY= 128.4 kJ/mol ( -241.1557479 Hartree)
Energy+ZPE= 138.0 kJ/mol ZPE= 0.0495455
CONNECTIONS:
o TS56 (131.2) o EQ5
o TS57 (131.6) o EQ5
o TS58 (136.5) o EQ5
o TS95 (206.5) o EQ9
o TS96 (213.9) o EQ9
o TS99 (128.4) o EQ10
o TS100 (460.5) o EQ53
o TS101 (308.7) o DDC14
[ EQ11 ] C1 ENERGY= 128.9 kJ/mol ( -241.1555565 Hartree)
Energy+ZPE= 143.8 kJ/mol ZPE= 0.0515938
CONNECTIONS:
o TS59 (426.3) o EQ5
o TS75 (239.7) o EQ6
o TS102 (135.7) o EQ11
o TS103 (148.6) o EQ11
o TS104 (170.6) o EQ11
o TS105 (294.3) o EQ27
o TS106 (468.0) o EQ58
o TS107 (457.0) o EQ59
o TS108 (478.9) o EQ62
o TS109 (302.6) o DDC15
o TS110 (604.0) o DDC16
o UDC13 o
[ EQ12 ] C1 ENERGY= 130.0 kJ/mol ( -241.1551230 Hartree)
Energy+ZPE= 142.2 kJ/mol ZPE= 0.0505621
CONNECTIONS:
o TS43 (166.5) o EQ4
o TS111 (140.9) o EQ12
o TS112 (393.8) o EQ12
o TS113 (332.5) o EQ14
o TS114 (391.0) o EQ14
o TS115 (195.4) o EQ15
o TS116 (206.5) o EQ15
o TS117 (417.2) o EQ16
o TS118 (210.2) o EQ17
o TS119 (213.1) o EQ17
o TS120 (340.1) o EQ23
o TS121 (371.1) o EQ32
o TS122 (392.2) o EQ40
o TS123 (507.4) o EQ77
o TS124 (507.3) o EQ84
o TS125 (305.0) o DDC17
o TS126 (306.8) o DDC18
o UDC14 o
o UDC15 o
[ EQ13 ] Cs ENERGY= 141.0 kJ/mol ( -241.1509408 Hartree)
Energy+ZPE= 154.7 kJ/mol ZPE= 0.0511282
CONNECTIONS:
o TS33 (351.7) o EQ3
o TS44 (327.3) o EQ4
o TS45 (344.0) o EQ4
o TS88 (377.5) o EQ8
o TS127 (173.0) o EQ13
o TS128 (184.4) o EQ13
o TS129 (246.1) o EQ34
o TS130 (432.5) o EQ45
o TS131 (450.6) o EQ46
o TS132 (352.6) o EQ55
o TS133 (372.0) o EQ59
o TS134 (606.1) o EQ86
o TS135 (604.1) o EQ87
o TS136 (344.4) o DDC19
o TS137 (368.1) o DDC20
o TS138 (520.9) o DDC21
o TS139 (543.2) o DDC22
o UDC16 o
o UDC17 o
[ EQ14 ] C1 ENERGY= 143.8 kJ/mol ( -241.1498896 Hartree)
Energy+ZPE= 155.2 kJ/mol ZPE= 0.0502274
CONNECTIONS:
o TS113 (332.5) o EQ12
o TS114 (391.0) o EQ12
o TS140 (491.7) o EQ14
o TS141 (473.4) o EQ15
o TS142 (169.4) o EQ16
o TS143 (178.7) o EQ16
o TS144 (187.9) o EQ16
o TS145 (373.6) o EQ19
o TS146 (193.0) o EQ20
o TS147 (216.3) o EQ20
o TS148 (223.2) o DDC23
o TS149 (297.7) o DDC24
o TS150 (307.1) o DDC25
[ EQ15 ] C1 ENERGY= 148.2 kJ/mol ( -241.1482062 Hartree)
Energy+ZPE= 159.6 kJ/mol ZPE= 0.0502270
CONNECTIONS:
o TS34 (302.3) o EQ3
o TS115 (195.4) o EQ12
o TS116 (206.5) o EQ12
o TS141 (473.4) o EQ14
o TS151 (163.5) o EQ17
o TS152 (167.4) o EQ17
o TS153 (185.4) o EQ17
o TS154 (458.4) o EQ18
o TS155 (342.4) o EQ20
o TS156 (344.6) o EQ20
o TS157 (433.9) o EQ36
o TS158 (359.4) o EQ41
o TS159 (470.5) o EQ41
o TS160 (351.2) o EQ45
o TS161 (396.9) o EQ47
o TS162 (595.8) o EQ57
o TS163 (466.8) o EQ81
o TS164 (353.4) o DDC26
o TS165 (363.8) o DDC27
[ EQ16 ] C1 ENERGY= 159.7 kJ/mol ( -241.1438343 Hartree)
Energy+ZPE= 170.1 kJ/mol ZPE= 0.0498597
CONNECTIONS:
o TS46 (290.4) o EQ4
o TS117 (417.2) o EQ12
o TS142 (169.4) o EQ14
o TS143 (178.7) o EQ14
o TS144 (187.9) o EQ14
o TS166 (199.2) o EQ26
o TS167 (249.8) o EQ26
o TS168 (505.8) o EQ81
o TS169 (250.4) o DDC28
o TS170 (317.4) o DDC29
o TS171 (333.8) o DDC30
o UDC18 o
[ EQ17 ] C1 ENERGY= 159.8 kJ/mol ( -241.1437686 Hartree)
Energy+ZPE= 170.2 kJ/mol ZPE= 0.0498469
CONNECTIONS:
o TS23 (310.3) o EQ2
o TS118 (210.2) o EQ12
o TS119 (213.1) o EQ12
o TS151 (163.5) o EQ15
o TS152 (167.4) o EQ15
o TS153 (185.4) o EQ15
o TS172 (633.6) o EQ53
o UDC19 o
[ EQ18 ] Cs ENERGY= 165.9 kJ/mol ( -241.1414601 Hartree)
Energy+ZPE= 178.5 kJ/mol ZPE= 0.0507059
CONNECTIONS:
o TS76 (275.1) o EQ6
o TS154 (458.4) o EQ15
o TS173 (484.8) o EQ20
o TS174 (561.2) o EQ24
o TS175 (269.4) o EQ27
o TS176 (200.3) o EQ33
o TS177 (260.0) o EQ35
o TS178 (462.2) o EQ56
o TS179 (575.4) o DDC31
o TS180 (579.3) o DDC32
o UDC20 o
o UDC21 o
[ EQ19 ] Cs ENERGY= 167.5 kJ/mol ( -241.1408403 Hartree)
Energy+ZPE= 181.8 kJ/mol ZPE= 0.0513653
CONNECTIONS:
o TS8 (372.6) o EQ1
o TS60 (231.7) o EQ5
o TS145 (373.6) o EQ14
o TS181 (367.5) o EQ28
o TS182 (373.4) o EQ28
o TS183 (285.2) o EQ32
o TS184 (389.3) o EQ38
o TS185 (541.8) o EQ42
o TS186 (440.8) o EQ50
o TS187 (426.8) o EQ53
o TS188 (440.9) o EQ56
o TS189 (436.8) o DDC33
o UDC22 o
o UDC23 o
[ EQ20 ] C1 ENERGY= 169.4 kJ/mol ( -241.1401134 Hartree)
Energy+ZPE= 177.9 kJ/mol ZPE= 0.0491421
CONNECTIONS:
o TS146 (193.0) o EQ14
o TS147 (216.3) o EQ14
o TS155 (342.4) o EQ15
o TS156 (344.6) o EQ15
o TS173 (484.8) o EQ18
o TS190 (183.2) o EQ26
o TS191 (188.6) o EQ26
o TS192 (209.5) o EQ26
o TS193 (431.5) o EQ28
o TS194 (364.7) o EQ46
o TS195 (424.9) o EQ49
o TS196 (461.7) o EQ77
o TS197 (486.9) o EQ84
o TS198 (262.7) o DDC34
o TS199 (368.6) o DDC35
o TS200 (376.2) o DDC36
[ EQ21 ] Cs ENERGY= 169.9 kJ/mol ( -241.1399202 Hartree)
Energy+ZPE= 180.9 kJ/mol ZPE= 0.0500754
CONNECTIONS:
o TS61 (336.2) o EQ5
o TS201 (188.1) o EQ21
o TS202 (222.7) o EQ21
o TS203 (221.7) o EQ29
o TS204 (223.0) o EQ30
o TS205 (320.9) o EQ31
o TS206 (412.3) o EQ37
o TS207 (298.8) o EQ54
o TS208 (343.6) o EQ61
o TS209 (404.5) o DDC37
o TS210 (513.8) o DDC38
[ EQ22 ] C1 ENERGY= 170.9 kJ/mol ( -241.1395714 Hartree)
Energy+ZPE= 180.9 kJ/mol ZPE= 0.0497172
CONNECTIONS:
o TS35 (364.7) o EQ3
o TS77 (316.9) o EQ6
o TS211 (188.7) o EQ22
o TS212 (190.9) o EQ22
o TS213 (202.9) o EQ22
o TS214 (206.6) o EQ22
o TS215 (212.8) o EQ22
o TS216 (553.9) o EQ57
o TS217 (564.8) o EQ57
o TS218 (454.9) o EQ70
o TS219 (455.6) o EQ70
o TS220 (456.1) o EQ70
o TS221 (448.5) o EQ72
o TS222 (663.9) o EQ77
o TS223 (236.8) o DDC39
o UDC24 o
[ EQ23 ] Cs ENERGY= 172.6 kJ/mol ( -241.1389126 Hartree)
Energy+ZPE= 184.9 kJ/mol ZPE= 0.0506013
CONNECTIONS:
o TS62 (196.0) o EQ5
o TS120 (340.1) o EQ12
o TS224 (211.2) o EQ32
o TS225 (399.3) o EQ36
o TS226 (544.9) o EQ44
o TS227 (554.7) o EQ44
o TS228 (431.3) o EQ52
o TS229 (484.2) o EQ63
o UDC25 o
o UDC26 o
[ EQ24 ] Cs ENERGY= 175.4 kJ/mol ( -241.1378217 Hartree)
Energy+ZPE= 184.0 kJ/mol ZPE= 0.0491910
CONNECTIONS:
o TS174 (561.2) o EQ18
o TS230 (192.5) o EQ25
o TS231 (215.3) o EQ25
o TS232 (331.8) o EQ29
o TS233 (225.4) o EQ31
o TS234 (707.3) o EQ62
o TS235 (236.3) o DDC40
o TS236 (514.8) o DDC41
o TS237 (520.9) o DDC42
[ EQ25 ] Cs ENERGY= 180.6 kJ/mol ( -241.1358628 Hartree)
Energy+ZPE= 189.3 kJ/mol ZPE= 0.0492176
CONNECTIONS:
o TS78 (479.5) o EQ6
o TS230 (192.5) o EQ24
o TS231 (215.3) o EQ24
o TS238 (334.4) o EQ30
o TS239 (316.3) o EQ47
o TS240 (218.7) o DDC43
o TS241 (242.4) o DDC44
[ EQ26 ] C1 ENERGY= 181.0 kJ/mol ( -241.1357037 Hartree)
Energy+ZPE= 188.3 kJ/mol ZPE= 0.0486974
CONNECTIONS:
o TS166 (199.2) o EQ16
o TS167 (249.8) o EQ16
o TS190 (183.2) o EQ20
o TS191 (188.6) o EQ20
o TS192 (209.5) o EQ20
o TS242 (425.4) o EQ76
o TS243 (361.7) o DDC45
o TS244 (378.8) o DDC46
o TS245 (379.1) o DDC47
o UDC27 o
[ EQ27 ] Cs ENERGY= 182.4 kJ/mol ( -241.1351576 Hartree)
Energy+ZPE= 195.6 kJ/mol ZPE= 0.0509222
CONNECTIONS:
o TS105 (294.3) o EQ11
o TS175 (269.4) o EQ18
o TS246 (210.8) o EQ27
o TS247 (262.2) o EQ33
o TS248 (447.3) o EQ50
o UDC28 o
o UDC29 o
[ EQ28 ] C1 ENERGY= 183.3 kJ/mol ( -241.1348157 Hartree)
Energy+ZPE= 194.2 kJ/mol ZPE= 0.0500591
CONNECTIONS:
o TS9 (545.7) o EQ1
o TS10 (581.9) o EQ1
o TS36 (389.2) o EQ3
o TS181 (367.5) o EQ19
o TS182 (373.4) o EQ19
o TS193 (431.5) o EQ20
o TS249 (183.4) o EQ28
o TS250 (296.0) o EQ36
o TS251 (412.9) o EQ41
o TS252 (421.9) o EQ46
o TS253 (422.0) o EQ48
o TS254 (379.9) o EQ50
o TS255 (384.9) o EQ52
o TS256 (383.7) o EQ57
o TS257 (417.9) o EQ63
o TS258 (584.2) o EQ77
o TS259 (333.8) o DDC48
o UDC30 o
o UDC31 o
[ EQ29 ] Cs ENERGY= 184.8 kJ/mol ( -241.1342600 Hartree)
Energy+ZPE= 194.7 kJ/mol ZPE= 0.0496609
CONNECTIONS:
o TS203 (221.7) o EQ21
o TS232 (331.8) o EQ24
o TS260 (197.4) o EQ30
o TS261 (226.5) o EQ30
o TS262 (465.9) o EQ43
o TS263 (431.2) o EQ80
o TS264 (445.5) o EQ85
o TS265 (610.6) o EQ91
o TS266 (523.5) o DDC49
o TS267 (528.4) o DDC50
o TS268 (539.4) o DDC51
[ EQ30 ] Cs ENERGY= 185.3 kJ/mol ( -241.1340517 Hartree)
Energy+ZPE= 195.7 kJ/mol ZPE= 0.0498689
CONNECTIONS:
o TS204 (223.0) o EQ21
o TS238 (334.4) o EQ25
o TS260 (197.4) o EQ29
o TS261 (226.5) o EQ29
o TS269 (340.2) o EQ43
o TS270 (411.5) o EQ47
o TS271 (621.9) o EQ92
o TS272 (324.2) o DDC52
o TS273 (429.9) o DDC53
o TS274 (464.3) o DDC54
[ EQ31 ] Cs ENERGY= 190.0 kJ/mol ( -241.1322681 Hartree)
Energy+ZPE= 195.7 kJ/mol ZPE= 0.0480670
CONNECTIONS:
o TS205 (320.9) o EQ21
o TS233 (225.4) o EQ24
o TS275 (190.4) o DDC55
o TS276 (223.8) o DDC56
o TS277 (355.7) o DDC57
[ EQ32 ] Cs ENERGY= 193.8 kJ/mol ( -241.1308377 Hartree)
Energy+ZPE= 207.3 kJ/mol ZPE= 0.0510602
CONNECTIONS:
o TS11 (399.8) o EQ1
o TS121 (371.1) o EQ12
o TS183 (285.2) o EQ19
o TS224 (211.2) o EQ23
o TS278 (404.3) o EQ36
o TS279 (549.3) o EQ42
o TS280 (658.6) o EQ44
o TS281 (428.2) o EQ50
o TS282 (437.1) o EQ51
o TS283 (452.7) o EQ57
o UDC32 o
o UDC33 o
[ EQ33 ] C1 ENERGY= 199.6 kJ/mol ( -241.1286234 Hartree)
Energy+ZPE= 210.8 kJ/mol ZPE= 0.0501739
CONNECTIONS:
o TS176 (200.3) o EQ18
o TS247 (262.2) o EQ27
o TS284 (204.2) o EQ33
o TS285 (453.7) o EQ53
o TS286 (455.0) o EQ57
[ EQ34 ] Cs ENERGY= 203.1 kJ/mol ( -241.1273001 Hartree)
Energy+ZPE= 215.2 kJ/mol ZPE= 0.0505248
CONNECTIONS:
o TS89 (363.6) o EQ8
o TS129 (246.1) o EQ13
o TS287 (215.3) o EQ34
o TS288 (241.6) o DDC58
o TS289 (269.2) o DDC59
o TS290 (369.3) o DDC60
o TS291 (480.3) o DDC61
[ EQ35 ] C1 ENERGY= 203.4 kJ/mol ( -241.1271864 Hartree)
Energy+ZPE= 213.3 kJ/mol ZPE= 0.0496774
CONNECTIONS:
o TS177 (260.0) o EQ18
o TS292 (207.4) o EQ35
o TS293 (209.3) o EQ35
o TS294 (455.5) o EQ50
o TS295 (456.8) o EQ52
o TS296 (313.3) o DDC62
o TS297 (319.6) o DDC63
o UDC34 o
[ EQ36 ] C1 ENERGY= 207.0 kJ/mol ( -241.1258079 Hartree)
Energy+ZPE= 216.6 kJ/mol ZPE= 0.0495449
CONNECTIONS:
o TS37 (414.5) o EQ3
o TS157 (433.9) o EQ15
o TS225 (399.3) o EQ23
o TS250 (296.0) o EQ28
o TS278 (404.3) o EQ32
o TS298 (253.1) o EQ36
o TS299 (438.9) o EQ45
o TS300 (375.8) o EQ50
o TS301 (404.0) o EQ52
o TS302 (399.0) o EQ53
o TS303 (396.5) o EQ56
o TS304 (606.4) o EQ81
o TS305 (337.8) o DDC64
o TS306 (410.6) o DDC65
o UDC35 o
o UDC36 o
[ EQ37 ] Cs ENERGY= 226.6 kJ/mol ( -241.1183511 Hartree)
Energy+ZPE= 233.1 kJ/mol ZPE= 0.0483603
CONNECTIONS:
o TS47 (450.3) o EQ4
o TS206 (412.3) o EQ21
o TS307 (252.7) o EQ39
o TS308 (260.5) o EQ39
o TS309 (272.9) o EQ43
o TS310 (376.6) o EQ69
o TS311 (597.5) o EQ82
o TS312 (605.2) o EQ91
o TS313 (286.1) o DDC66
o TS314 (295.7) o DDC67
o TS315 (308.6) o DDC68
[ EQ38 ] C1 ENERGY= 235.0 kJ/mol ( -241.1151460 Hartree)
Energy+ZPE= 247.0 kJ/mol ZPE= 0.0504534
CONNECTIONS:
o TS48 (401.0) o EQ4
o TS184 (389.3) o EQ19
o TS316 (236.5) o EQ38
o TS317 (274.2) o EQ42
o TS318 (331.6) o EQ51
o TS319 (478.9) o EQ68
o TS320 (470.1) o EQ71
o TS321 (509.5) o EQ74
o TS322 (634.5) o EQ75
o TS323 (257.8) o DDC69
o TS324 (399.8) o DDC70
o TS325 (403.0) o DDC71
o TS326 (460.3) o DDC72
o UDC37 o
[ EQ39 ] Cs ENERGY= 239.1 kJ/mol ( -241.1135785 Hartree)
Energy+ZPE= 245.6 kJ/mol ZPE= 0.0483772
CONNECTIONS:
o TS307 (252.7) o EQ37
o TS308 (260.5) o EQ37
o TS327 (252.7) o EQ40
o TS328 (618.6) o EQ92
o TS329 (270.3) o DDC73
o TS330 (300.3) o DDC74
o TS331 (306.3) o DDC75
o TS332 (668.1) o DDC76
[ EQ40 ] Cs ENERGY= 241.5 kJ/mol ( -241.1126613 Hartree)
Energy+ZPE= 248.8 kJ/mol ZPE= 0.0486888
CONNECTIONS:
o TS122 (392.2) o EQ12
o TS327 (252.7) o EQ39
o TS333 (263.7) o EQ47
o TS334 (417.9) o EQ51
o TS335 (562.1) o EQ89
o UDC38 o
[ EQ41 ] C1 ENERGY= 241.7 kJ/mol ( -241.1125748 Hartree)
Energy+ZPE= 247.9 kJ/mol ZPE= 0.0482557
CONNECTIONS:
o TS158 (359.4) o EQ15
o TS159 (470.5) o EQ15
o TS251 (412.9) o EQ28
o TS336 (267.9) o EQ44
o TS337 (276.3) o EQ44
o TS338 (279.3) o EQ48
o TS339 (289.9) o EQ48
o TS340 (302.4) o EQ48
o TS341 (561.3) o EQ77
o TS342 (557.4) o EQ81
o TS343 (269.5) o DDC77
o TS344 (486.4) o DDC78
[ EQ42 ] C1 ENERGY= 244.7 kJ/mol ( -241.1114344 Hartree)
Energy+ZPE= 251.5 kJ/mol ZPE= 0.0484825
CONNECTIONS:
o TS185 (541.8) o EQ19
o TS279 (549.3) o EQ32
o TS317 (274.2) o EQ38
o TS345 (309.4) o EQ42
o TS346 (252.9) o EQ44
o TS347 (292.9) o EQ44
o TS348 (312.8) o EQ44
o TS349 (270.1) o EQ48
o TS350 (666.1) o EQ82
o TS351 (359.8) o DDC79
o TS352 (370.6) o DDC80
[ EQ43 ] Cs ENERGY= 246.9 kJ/mol ( -241.1106164 Hartree)
Energy+ZPE= 248.0 kJ/mol ZPE= 0.0463138
CONNECTIONS:
o TS262 (465.9) o EQ29
o TS269 (340.2) o EQ30
o TS309 (272.9) o EQ37
o TS353 (247.1) o DDC81
o TS354 (294.1) o DDC82
[ EQ44 ] C1 ENERGY= 252.0 kJ/mol ( -241.1086606 Hartree)
Energy+ZPE= 258.0 kJ/mol ZPE= 0.0481922
CONNECTIONS:
o TS226 (544.9) o EQ23
o TS227 (554.7) o EQ23
o TS280 (658.6) o EQ32
o TS336 (267.9) o EQ41
o TS337 (276.3) o EQ41
o TS346 (252.9) o EQ42
o TS347 (292.9) o EQ42
o TS348 (312.8) o EQ42
o TS355 (635.0) o EQ71
o TS356 (333.4) o DDC83
o TS357 (368.3) o DDC84
o UDC39 o
[ EQ45 ] Cs ENERGY= 254.0 kJ/mol ( -241.1078896 Hartree)
Energy+ZPE= 263.8 kJ/mol ZPE= 0.0496516
CONNECTIONS:
o TS90 (345.5) o EQ8
o TS130 (432.5) o EQ13
o TS160 (351.2) o EQ15
o TS299 (438.9) o EQ36
o TS358 (310.2) o EQ46
o TS359 (443.8) o EQ47
o TS360 (367.1) o EQ66
o TS361 (571.3) o EQ66
o TS362 (477.7) o EQ71
o TS363 (470.9) o EQ85
o TS364 (584.2) o EQ86
o TS365 (609.6) o EQ87
o TS366 (308.2) o DDC85
o TS367 (371.5) o DDC86
o TS368 (613.7) o DDC87
o TS369 (788.6) o DDC88
[ EQ46 ] Cs ENERGY= 255.9 kJ/mol ( -241.1071702 Hartree)
Energy+ZPE= 266.5 kJ/mol ZPE= 0.0499452
CONNECTIONS:
o TS131 (450.6) o EQ13
o TS194 (364.7) o EQ20
o TS252 (421.9) o EQ28
o TS358 (310.2) o EQ45
o TS370 (369.8) o EQ64
o TS371 (562.4) o EQ64
o TS372 (482.2) o EQ68
o TS373 (294.6) o DDC89
[ EQ47 ] C1 ENERGY= 259.1 kJ/mol ( -241.1059509 Hartree)
Energy+ZPE= 266.1 kJ/mol ZPE= 0.0485487
CONNECTIONS:
o TS161 (396.9) o EQ15
o TS239 (316.3) o EQ25
o TS270 (411.5) o EQ30
o TS333 (263.7) o EQ40
o TS359 (443.8) o EQ45
o TS374 (261.3) o EQ47
o TS375 (351.1) o DDC90
o TS376 (491.7) o DDC91
o UDC40 o
[ EQ48 ] C1 ENERGY= 260.2 kJ/mol ( -241.1055340 Hartree)
Energy+ZPE= 266.8 kJ/mol ZPE= 0.0484151
CONNECTIONS:
o TS253 (422.0) o EQ28
o TS338 (279.3) o EQ41
o TS339 (289.9) o EQ41
o TS340 (302.4) o EQ41
o TS349 (270.1) o EQ42
o TS377 (580.3) o EQ84
o TS378 (296.6) o DDC92
o TS379 (342.4) o DDC93
o TS380 (518.6) o DDC94
[ EQ49 ] C1 ENERGY= 271.6 kJ/mol ( -241.1011972 Hartree)
Energy+ZPE= 274.4 kJ/mol ZPE= 0.0469768
CONNECTIONS:
o TS195 (424.9) o EQ20
o TS381 (271.8) o DDC95
o TS382 (300.9) o DDC96
o TS383 (306.8) o DDC97
o UDC41 o
[ EQ50 ] C1 ENERGY= 271.7 kJ/mol ( -241.1011749 Hartree)
Energy+ZPE= 283.0 kJ/mol ZPE= 0.0502089
CONNECTIONS:
o TS186 (440.8) o EQ19
o TS248 (447.3) o EQ27
o TS254 (379.9) o EQ28
o TS281 (428.2) o EQ32
o TS294 (455.5) o EQ35
o TS300 (375.8) o EQ36
o TS384 (278.6) o EQ52
o TS385 (306.8) o EQ52
o TS386 (531.5) o EQ52
o TS387 (421.0) o EQ56
o TS388 (416.7) o EQ57
o TS389 (525.8) o EQ66
o TS390 (524.4) o EQ72
o TS391 (567.6) o EQ84
o TS392 (466.2) o DDC98
o UDC42 o
[ EQ51 ] C1 ENERGY= 272.3 kJ/mol ( -241.1009238 Hartree)
Energy+ZPE= 281.7 kJ/mol ZPE= 0.0494854
CONNECTIONS:
o TS49 (430.7) o EQ4
o TS282 (437.1) o EQ32
o TS318 (331.6) o EQ38
o TS334 (417.9) o EQ40
o TS393 (523.3) o EQ68
o TS394 (523.6) o EQ71
o TS395 (618.0) o EQ75
o TS396 (517.5) o EQ82
o TS397 (303.7) o DDC99
o TS398 (433.3) o DDC100
o TS399 (486.4) o DDC101
o UDC43 o
[ EQ52 ] C1 ENERGY= 277.5 kJ/mol ( -241.0989458 Hartree)
Energy+ZPE= 288.2 kJ/mol ZPE= 0.0499674
CONNECTIONS:
o TS97 (439.2) o EQ9
o TS228 (431.3) o EQ23
o TS255 (384.9) o EQ28
o TS295 (456.8) o EQ35
o TS301 (404.0) o EQ36
o TS384 (278.6) o EQ50
o TS385 (306.8) o EQ50
o TS386 (531.5) o EQ50
o TS400 (420.1) o EQ53
o TS401 (503.3) o EQ53
o TS402 (435.6) o EQ63
o TS403 (498.5) o EQ70
o TS404 (526.5) o EQ70
o TS405 (559.2) o EQ77
o TS406 (461.8) o DDC102
o UDC44 o
[ EQ53 ] Cs ENERGY= 283.8 kJ/mol ( -241.0965486 Hartree)
Energy+ZPE= 294.1 kJ/mol ZPE= 0.0498378
CONNECTIONS:
o TS100 (460.5) o EQ10
o TS172 (633.6) o EQ17
o TS187 (426.8) o EQ19
o TS285 (453.7) o EQ33
o TS302 (399.0) o EQ36
o TS400 (420.1) o EQ52
o TS401 (503.3) o EQ52
o TS407 (299.7) o EQ56
o TS408 (544.3) o EQ57
o TS409 (535.6) o EQ81
o TS410 (444.4) o DDC103
o TS411 (665.3) o DDC104
o UDC45 o
[ EQ54 ] C1 ENERGY= 287.1 kJ/mol ( -241.0953020 Hartree)
Energy+ZPE= 296.8 kJ/mol ZPE= 0.0495808
CONNECTIONS:
o TS207 (298.8) o EQ21
o TS412 (289.1) o EQ54
o TS413 (346.1) o EQ54
o TS414 (368.5) o EQ54
o TS415 (478.7) o EQ62
o TS416 (593.8) o EQ79
o TS417 (586.0) o EQ88
o UDC46 o
[ EQ55 ] C1 ENERGY= 293.3 kJ/mol ( -241.0929516 Hartree)
Energy+ZPE= 305.1 kJ/mol ZPE= 0.0503829
CONNECTIONS:
o TS50 (374.6) o EQ4
o TS79 (443.4) o EQ6
o TS132 (352.6) o EQ13
o TS418 (316.3) o EQ58
o TS419 (328.1) o EQ58
o TS420 (329.0) o EQ58
o TS421 (526.3) o EQ59
o TS422 (573.3) o EQ86
o TS423 (698.2) o EQ86
o TS424 (358.4) o DDC105
o TS425 (728.1) o DDC106
o UDC47 o
[ EQ56 ] C1 ENERGY= 294.1 kJ/mol ( -241.0926221 Hartree)
Energy+ZPE= 304.1 kJ/mol ZPE= 0.0497105
CONNECTIONS:
o TS178 (462.2) o EQ18
o TS188 (440.9) o EQ19
o TS303 (396.5) o EQ36
o TS387 (421.0) o EQ50
o TS407 (299.7) o EQ53
o TS426 (294.2) o EQ56
o TS427 (554.4) o EQ63
o TS428 (564.9) o EQ73
o TS429 (557.3) o EQ81
o TS430 (617.9) o EQ81
o TS431 (638.8) o EQ81
o TS432 (720.2) o EQ81
o UDC48 o
[ EQ57 ] Cs ENERGY= 297.7 kJ/mol ( -241.0912559 Hartree)
Energy+ZPE= 306.6 kJ/mol ZPE= 0.0493002
CONNECTIONS:
o TS162 (595.8) o EQ15
o TS216 (553.9) o EQ22
o TS217 (564.8) o EQ22
o TS256 (383.7) o EQ28
o TS283 (452.7) o EQ32
o TS286 (455.0) o EQ33
o TS388 (416.7) o EQ50
o TS408 (544.3) o EQ53
o TS433 (342.1) o EQ63
o TS434 (535.4) o EQ64
o TS435 (461.2) o DDC107
o TS436 (472.2) o DDC108
o TS437 (509.2) o DDC109
o TS438 (529.1) o DDC110
o TS439 (627.1) o DDC111
o UDC49 o
[ EQ58 ] C1 ENERGY= 306.2 kJ/mol ( -241.0880238 Hartree)
Energy+ZPE= 316.9 kJ/mol ZPE= 0.0499600
CONNECTIONS:
o TS106 (468.0) o EQ11
o TS418 (316.3) o EQ55
o TS419 (328.1) o EQ55
o TS420 (329.0) o EQ55
o TS440 (469.7) o EQ61
o TS441 (406.7) o EQ67
o TS442 (662.9) o EQ80
o TS443 (590.3) o EQ87
o TS444 (732.8) o EQ91
o TS445 (555.2) o DDC112
[ EQ59 ] C1 ENERGY= 315.6 kJ/mol ( -241.0844575 Hartree)
Energy+ZPE= 326.1 kJ/mol ZPE= 0.0498928
CONNECTIONS:
o TS80 (454.6) o EQ6
o TS81 (459.0) o EQ6
o TS107 (457.0) o EQ11
o TS133 (372.0) o EQ13
o TS421 (526.3) o EQ55
o TS446 (339.0) o EQ62
o TS447 (344.0) o EQ62
o TS448 (358.2) o EQ62
o TS449 (415.7) o EQ65
o TS450 (815.5) o EQ68
o TS451 (399.7) o DDC113
o TS452 (506.5) o DDC114
o TS453 (678.8) o DDC115
[ EQ60 ] Cs ENERGY= 324.7 kJ/mol ( -241.0809629 Hartree)
Energy+ZPE= 318.7 kJ/mol ZPE= 0.0435985
CONNECTIONS:
o TS63 (331.1) o EQ5
o TS454 (326.0) o DDC116
o UDC50 o
[ EQ61 ] C1 ENERGY= 332.0 kJ/mol ( -241.0781936 Hartree)
Energy+ZPE= 341.4 kJ/mol ZPE= 0.0494635
CONNECTIONS:
o TS208 (343.6) o EQ21
o TS440 (469.7) o EQ58
o TS455 (345.1) o EQ61
o TS456 (356.9) o EQ61
o TS457 (369.3) o EQ61
o TS458 (504.8) o EQ67
o TS459 (507.3) o EQ67
o TS460 (575.5) o EQ75
o TS461 (604.4) o EQ88
o TS462 (608.4) o EQ90
o TS463 (367.9) o DDC117
o TS464 (536.1) o DDC118
[ EQ62 ] C1 ENERGY= 333.9 kJ/mol ( -241.0774814 Hartree)
Energy+ZPE= 343.2 kJ/mol ZPE= 0.0494517
CONNECTIONS:
o TS108 (478.9) o EQ11
o TS234 (707.3) o EQ24
o TS415 (478.7) o EQ54
o TS446 (339.0) o EQ59
o TS447 (344.0) o EQ59
o TS448 (358.2) o EQ59
o TS465 (631.4) o DDC119
[ EQ63 ] Cs ENERGY= 339.4 kJ/mol ( -241.0753568 Hartree)
Energy+ZPE= 346.6 kJ/mol ZPE= 0.0486270
CONNECTIONS:
o TS229 (484.2) o EQ23
o TS257 (417.9) o EQ28
o TS402 (435.6) o EQ52
o TS427 (554.4) o EQ56
o TS433 (342.1) o EQ57
o TS466 (577.5) o DDC120
[ EQ64 ] Cs ENERGY= 345.1 kJ/mol ( -241.0732174 Hartree)
Energy+ZPE= 358.7 kJ/mol ZPE= 0.0510770
CONNECTIONS:
o TS82 (628.7) o EQ6
o TS370 (369.8) o EQ46
o TS371 (562.4) o EQ46
o TS434 (535.4) o EQ57
o TS467 (652.6) o EQ71
o TS468 (502.9) o EQ77
o TS469 (378.3) o DDC121
o UDC51 o
[ EQ65 ] C1 ENERGY= 345.7 kJ/mol ( -241.0729672 Hartree)
Energy+ZPE= 353.1 kJ/mol ZPE= 0.0487187
CONNECTIONS:
o TS449 (415.7) o EQ59
o TS470 (357.8) o EQ65
o TS471 (360.8) o EQ65
o TS472 (367.1) o EQ65
o TS473 (447.4) o EQ67
o TS474 (632.3) o EQ85
o TS475 (766.3) o EQ95
o TS476 (382.5) o DDC122
[ EQ66 ] C1 ENERGY= 348.7 kJ/mol ( -241.0718375 Hartree)
Energy+ZPE= 361.9 kJ/mol ZPE= 0.0509151
CONNECTIONS:
o TS360 (367.1) o EQ45
o TS361 (571.3) o EQ45
o TS389 (525.8) o EQ50
o TS477 (515.6) o EQ81
o TS478 (360.8) o DDC123
o TS479 (580.1) o DDC124
o UDC52 o
o UDC53 o
o UDC54 o
[ EQ67 ] C1 ENERGY= 351.6 kJ/mol ( -241.0707329 Hartree)
Energy+ZPE= 359.3 kJ/mol ZPE= 0.0488187
CONNECTIONS:
o TS441 (406.7) o EQ58
o TS458 (504.8) o EQ61
o TS459 (507.3) o EQ61
o TS473 (447.4) o EQ65
o TS480 (362.0) o EQ67
o TS481 (369.4) o EQ67
o TS482 (381.7) o EQ67
o TS483 (404.4) o DDC125
o TS484 (776.5) o DDC126
[ EQ68 ] Cs ENERGY= 367.5 kJ/mol ( -241.0646597 Hartree)
Energy+ZPE= 384.1 kJ/mol ZPE= 0.0522392
CONNECTIONS:
o TS319 (478.9) o EQ38
o TS372 (482.2) o EQ46
o TS393 (523.3) o EQ51
o TS450 (815.5) o EQ59
o TS485 (509.1) o EQ69
o TS486 (488.3) o EQ71
o TS487 (562.2) o EQ75
o TS488 (476.7) o EQ78
o TS489 (678.3) o EQ90
o TS490 (789.5) o DDC127
o UDC55 o
o UDC56 o
[ EQ69 ] Cs ENERGY= 371.7 kJ/mol ( -241.0630715 Hartree)
Energy+ZPE= 379.4 kJ/mol ZPE= 0.0488483
CONNECTIONS:
o TS310 (376.6) o EQ37
o TS485 (509.1) o EQ68
o TS491 (561.9) o EQ71
o TS492 (517.1) o DDC128
[ EQ70 ] C1 ENERGY= 386.3 kJ/mol ( -241.0575028 Hartree)
Energy+ZPE= 391.6 kJ/mol ZPE= 0.0479173
CONNECTIONS:
o TS24 (388.7) o EQ2
o TS218 (454.9) o EQ22
o TS219 (455.6) o EQ22
o TS220 (456.1) o EQ22
o TS403 (498.5) o EQ52
o TS404 (526.5) o EQ52
o TS493 (393.1) o EQ72
o TS494 (442.8) o EQ72
o TS495 (392.5) o DDC129
o UDC57 o
[ EQ71 ] C1 ENERGY= 387.4 kJ/mol ( -241.0570957 Hartree)
Energy+ZPE= 403.3 kJ/mol ZPE= 0.0519679
CONNECTIONS:
o TS320 (470.1) o EQ38
o TS355 (635.0) o EQ44
o TS362 (477.7) o EQ45
o TS394 (523.6) o EQ51
o TS467 (652.6) o EQ64
o TS486 (488.3) o EQ68
o TS491 (561.9) o EQ69
o TS496 (403.7) o EQ74
o TS497 (490.6) o EQ74
o TS498 (521.4) o EQ82
o TS499 (493.5) o DDC130
o TS500 (527.4) o DDC131
o TS501 (539.7) o DDC132
o UDC58 o
o UDC59 o
[ EQ72 ] C1 ENERGY= 387.9 kJ/mol ( -241.0569145 Hartree)
Energy+ZPE= 392.3 kJ/mol ZPE= 0.0475747
CONNECTIONS:
o TS12 (421.6) o EQ1
o TS38 (395.3) o EQ3
o TS221 (448.5) o EQ22
o TS390 (524.4) o EQ50
o TS493 (393.1) o EQ70
o TS494 (442.8) o EQ70
o TS502 (393.9) o DDC133
o UDC60 o
[ EQ73 ] Cs ENERGY= 398.6 kJ/mol ( -241.0528241 Hartree)
Energy+ZPE= 408.4 kJ/mol ZPE= 0.0496424
CONNECTIONS:
o TS428 (564.9) o EQ56
o TS503 (401.2) o DDC134
o TS504 (615.9) o DDC135
o UDC61 o
o UDC62 o
[ EQ74 ] C1 ENERGY= 402.3 kJ/mol ( -241.0514237 Hartree)
Energy+ZPE= 417.6 kJ/mol ZPE= 0.0517447
CONNECTIONS:
o TS321 (509.5) o EQ38
o TS496 (403.7) o EQ71
o TS497 (490.6) o EQ71
o TS505 (537.3) o EQ75
o TS506 (542.7) o EQ78
o TS507 (580.3) o EQ79
o TS508 (542.4) o EQ80
o TS509 (676.5) o EQ88
o TS510 (536.5) o DDC136
o UDC63 o
[ EQ75 ] C1 ENERGY= 411.4 kJ/mol ( -241.0479459 Hartree)
Energy+ZPE= 417.4 kJ/mol ZPE= 0.0481991
CONNECTIONS:
o TS322 (634.5) o EQ38
o TS395 (618.0) o EQ51
o TS460 (575.5) o EQ61
o TS487 (562.2) o EQ68
o TS505 (537.3) o EQ74
o TS511 (411.7) o EQ75
o TS512 (413.3) o DDC137
o TS513 (425.0) o DDC138
[ EQ76 ] C1 ENERGY= 411.5 kJ/mol ( -241.0479032 Hartree)
Energy+ZPE= 407.2 kJ/mol ZPE= 0.0442605
CONNECTIONS:
o TS242 (425.4) o EQ26
o TS514 (412.3) o DDC139
o TS515 (416.6) o DDC140
[ EQ77 ] C1 ENERGY= 420.0 kJ/mol ( -241.0446861 Hartree)
Energy+ZPE= 428.1 kJ/mol ZPE= 0.0489884
CONNECTIONS:
o TS123 (507.4) o EQ12
o TS196 (461.7) o EQ20
o TS222 (663.9) o EQ22
o TS258 (584.2) o EQ28
o TS341 (561.3) o EQ41
o TS405 (559.2) o EQ52
o TS468 (502.9) o EQ64
o TS516 (578.0) o EQ77
o TS517 (595.3) o EQ81
o TS518 (450.0) o EQ84
o TS519 (453.4) o EQ84
o TS520 (492.1) o DDC141
o TS521 (515.4) o DDC142
o UDC64 o
[ EQ78 ] Cs ENERGY= 421.6 kJ/mol ( -241.0440534 Hartree)
Energy+ZPE= 435.0 kJ/mol ZPE= 0.0510188
CONNECTIONS:
o TS488 (476.7) o EQ68
o TS506 (542.7) o EQ74
o TS522 (558.3) o EQ79
o TS523 (437.9) o EQ82
o TS524 (576.2) o DDC143
o TS525 (590.7) o DDC144
[ EQ79 ] Cs ENERGY= 423.2 kJ/mol ( -241.0434413 Hartree)
Energy+ZPE= 430.6 kJ/mol ZPE= 0.0487228
CONNECTIONS:
o TS416 (593.8) o EQ54
o TS507 (580.3) o EQ74
o TS522 (558.3) o EQ78
o TS526 (439.3) o DDC145
o TS527 (475.3) o DDC146
[ EQ80 ] C1 ENERGY= 425.1 kJ/mol ( -241.0427253 Hartree)
Energy+ZPE= 430.0 kJ/mol ZPE= 0.0477615
CONNECTIONS:
o TS263 (431.2) o EQ29
o TS442 (662.9) o EQ58
o TS508 (542.4) o EQ74
o TS528 (434.0) o EQ80
o TS529 (433.2) o DDC147
o TS530 (494.4) o DDC148
o TS531 (499.3) o DDC149
o TS532 (514.7) o DDC150
[ EQ81 ] C1 ENERGY= 425.3 kJ/mol ( -241.0426577 Hartree)
Energy+ZPE= 433.1 kJ/mol ZPE= 0.0488664
CONNECTIONS:
o TS163 (466.8) o EQ15
o TS168 (505.8) o EQ16
o TS304 (606.4) o EQ36
o TS342 (557.4) o EQ41
o TS409 (535.6) o EQ53
o TS429 (557.3) o EQ56
o TS430 (617.9) o EQ56
o TS431 (638.8) o EQ56
o TS432 (720.2) o EQ56
o TS477 (515.6) o EQ66
o TS517 (595.3) o EQ77
o TS533 (599.9) o EQ81
o TS534 (621.5) o EQ81
o TS535 (516.0) o DDC151
o TS536 (517.2) o DDC152
o TS537 (621.0) o DDC153
o TS538 (735.3) o DDC154
o UDC65 o
[ EQ82 ] Cs ENERGY= 426.3 kJ/mol ( -241.0422866 Hartree)
Energy+ZPE= 441.0 kJ/mol ZPE= 0.0514905
CONNECTIONS:
o TS311 (597.5) o EQ37
o TS350 (666.1) o EQ42
o TS396 (517.5) o EQ51
o TS498 (521.4) o EQ71
o TS523 (437.9) o EQ78
o TS539 (523.9) o DDC155
o UDC66 o
[ EQ83 ] Cs ENERGY= 440.7 kJ/mol ( -241.0367791 Hartree)
Energy+ZPE= 437.9 kJ/mol ZPE= 0.0448253
CONNECTIONS:
o TS540 (442.0) o DDC156
[ EQ84 ] C1 ENERGY= 443.2 kJ/mol ( -241.0358426 Hartree)
Energy+ZPE= 449.2 kJ/mol ZPE= 0.0481832
CONNECTIONS:
o TS124 (507.3) o EQ12
o TS197 (486.9) o EQ20
o TS377 (580.3) o EQ48
o TS391 (567.6) o EQ50
o TS518 (450.0) o EQ77
o TS519 (453.4) o EQ77
o TS541 (503.0) o DDC157
o TS542 (522.6) o DDC158
o UDC67 o
[ EQ85 ] C1 ENERGY= 444.7 kJ/mol ( -241.0352791 Hartree)
Energy+ZPE= 446.1 kJ/mol ZPE= 0.0464366
CONNECTIONS:
o TS264 (445.5) o EQ29
o TS363 (470.9) o EQ45
o TS474 (632.3) o EQ65
o TS543 (471.7) o EQ85
o TS544 (444.9) o DDC159
o TS545 (509.4) o DDC160
[ EQ86 ] C1 ENERGY= 453.4 kJ/mol ( -241.0319491 Hartree)
Energy+ZPE= 463.7 kJ/mol ZPE= 0.0498404
CONNECTIONS:
o TS64 (528.1) o EQ5
o TS98 (487.9) o EQ9
o TS134 (606.1) o EQ13
o TS364 (584.2) o EQ45
o TS422 (573.3) o EQ55
o TS423 (698.2) o EQ55
o TS546 (466.5) o EQ87
o TS547 (490.5) o EQ87
o TS548 (500.0) o EQ87
o TS549 (588.9) o DDC161
o TS550 (598.9) o DDC162
o TS551 (626.5) o DDC163
o TS552 (647.3) o DDC164
[ EQ87 ] C1 ENERGY= 463.8 kJ/mol ( -241.0280045 Hartree)
Energy+ZPE= 473.8 kJ/mol ZPE= 0.0497241
CONNECTIONS:
o TS65 (539.3) o EQ5
o TS91 (498.8) o EQ8
o TS135 (604.1) o EQ13
o TS365 (609.6) o EQ45
o TS443 (590.3) o EQ58
o TS546 (466.5) o EQ86
o TS547 (490.5) o EQ86
o TS548 (500.0) o EQ86
o TS553 (647.4) o EQ92
o TS554 (620.4) o DDC165
[ EQ88 ] C1 ENERGY= 552.4 kJ/mol ( -240.9942478 Hartree)
Energy+ZPE= 564.2 kJ/mol ZPE= 0.0504004
CONNECTIONS:
o TS417 (586.0) o EQ54
o TS461 (604.4) o EQ61
o TS509 (676.5) o EQ74
o TS555 (663.6) o EQ88
o TS556 (576.2) o EQ90
o TS557 (758.3) o EQ93
o TS558 (583.3) o DDC166
o TS559 (585.2) o DDC167
o TS560 (739.3) o DDC168
o UDC68 o
[ EQ89 ] C1 ENERGY= 562.0 kJ/mol ( -240.9905786 Hartree)
Energy+ZPE= 568.3 kJ/mol ZPE= 0.0483194
CONNECTIONS:
o TS335 (562.1) o EQ40
o TS561 (571.3) o DDC169
o UDC69 o
[ EQ90 ] C1 ENERGY= 569.9 kJ/mol ( -240.9875801 Hartree)
Energy+ZPE= 579.8 kJ/mol ZPE= 0.0496595
CONNECTIONS:
o TS462 (608.4) o EQ61
o TS489 (678.3) o EQ68
o TS556 (576.2) o EQ88
o TS562 (671.5) o EQ90
o TS563 (592.9) o DDC170
o TS564 (713.1) o DDC171
o UDC70 o
o UDC71 o
[ EQ91 ] C1 ENERGY= 602.0 kJ/mol ( -240.9753661 Hartree)
Energy+ZPE= 606.5 kJ/mol ZPE= 0.0476197
CONNECTIONS:
o TS265 (610.6) o EQ29
o TS312 (605.2) o EQ37
o TS444 (732.8) o EQ58
o TS565 (608.8) o EQ92
o TS566 (627.9) o EQ92
o TS567 (777.3) o EQ92
o TS568 (802.9) o DDC172
[ EQ92 ] C1 ENERGY= 606.4 kJ/mol ( -240.9736815 Hartree)
Energy+ZPE= 611.5 kJ/mol ZPE= 0.0478620
CONNECTIONS:
o TS271 (621.9) o EQ30
o TS328 (618.6) o EQ39
o TS553 (647.4) o EQ87
o TS565 (608.8) o EQ91
o TS566 (627.9) o EQ91
o TS567 (777.3) o EQ91
o TS569 (804.3) o EQ94
[ EQ93 ] Cs ENERGY= 670.2 kJ/mol ( -240.9493871 Hartree)
Energy+ZPE= 677.6 kJ/mol ZPE= 0.0487307
CONNECTIONS:
o TS25 (725.9) o EQ2
o TS39 (738.2) o EQ3
o TS557 (758.3) o EQ88
o TS570 (768.5) o EQ93
o TS571 (726.1) o DDC173
o TS572 (811.0) o DDC174
o TS573 (829.2) o DDC175
o UDC72 o
[ EQ94 ] Cs ENERGY= 697.0 kJ/mol ( -240.9391853 Hartree)
Energy+ZPE= 696.8 kJ/mol ZPE= 0.0458088
CONNECTIONS:
o TS569 (804.3) o EQ92
o TS574 (774.3) o EQ95
o TS575 (720.4) o DDC176
o UDC73 o
[ EQ95 ] C1 ENERGY= 704.8 kJ/mol ( -240.9362031 Hartree)
Energy+ZPE= 704.5 kJ/mol ZPE= 0.0457739
CONNECTIONS:
o TS475 (766.3) o EQ65
o TS574 (774.3) o EQ94
o TS576 (705.7) o EQ95
o TS577 (716.7) o EQ95
o TS578 (781.9) o EQ95
o TS579 (840.0) o EQ95
o TS580 (748.9) o DDC177
o TS581 (779.1) o DDC178
o UDC74 o
o UDC75 o
[ TS0 ] Animation Cs ENERGY= 77.0 kJ/mol
Energy+ZPE= 86.3 kJ/mol ZPE= 0.0494514
CONNECTIONS:
o EQ1 o EQ1
[ TS1 ] Animation Cs ENERGY= 128.8 kJ/mol
Energy+ZPE= 138.5 kJ/mol ZPE= 0.0496122
CONNECTIONS:
o EQ1 o EQ1
[ TS2 ] Animation Cs ENERGY= 131.2 kJ/mol
Energy+ZPE= 139.9 kJ/mol ZPE= 0.0492074
CONNECTIONS:
o EQ1 o EQ1
[ TS3 ] Animation Cs ENERGY= 162.5 kJ/mol
Energy+ZPE= 168.9 kJ/mol ZPE= 0.0483237
CONNECTIONS:
o EQ1 o EQ1
[ TS4 ] Animation C1 ENERGY= 399.5 kJ/mol
Energy+ZPE= 401.0 kJ/mol ZPE= 0.0464698
CONNECTIONS:
o EQ1 o EQ2
[ TS5 ] Animation C1 ENERGY= 271.5 kJ/mol
Energy+ZPE= 275.1 kJ/mol ZPE= 0.0472859
CONNECTIONS:
o EQ1 o EQ3
[ TS6 ] Animation C1 ENERGY= 313.0 kJ/mol
Energy+ZPE= 310.6 kJ/mol ZPE= 0.0449898
CONNECTIONS:
o EQ1 o EQ4
[ TS7 ] Animation C1 ENERGY= 101.9 kJ/mol
Energy+ZPE= 111.0 kJ/mol ZPE= 0.0493684
CONNECTIONS:
o EQ1 o EQ7
[ TS8 ] Animation C1 ENERGY= 372.6 kJ/mol
Energy+ZPE= 369.5 kJ/mol ZPE= 0.0447167
CONNECTIONS:
o EQ1 o EQ19
[ TS9 ] Animation C1 ENERGY= 545.7 kJ/mol
Energy+ZPE= 538.9 kJ/mol ZPE= 0.0433180
CONNECTIONS:
o EQ1 o EQ28
[ TS10 ] Animation C1 ENERGY= 581.9 kJ/mol
Energy+ZPE= 572.1 kJ/mol ZPE= 0.0421564
CONNECTIONS:
o EQ1 o EQ28
[ TS11 ] Animation C1 ENERGY= 399.8 kJ/mol
Energy+ZPE= 398.4 kJ/mol ZPE= 0.0453798
CONNECTIONS:
o EQ1 o EQ32
[ TS12 ] Animation C1 ENERGY= 421.6 kJ/mol
Energy+ZPE= 420.0 kJ/mol ZPE= 0.0452776
CONNECTIONS:
o EQ1 o EQ72
[ TS13 ] Animation C1 ENERGY= 181.7 kJ/mol
Energy+ZPE= 176.3 kJ/mol ZPE= 0.0438322
CONNECTIONS:
o EQ1 o DDC0
[ TS14 ] Animation Cs ENERGY= 363.4 kJ/mol
Energy+ZPE= 351.7 kJ/mol ZPE= 0.0414350
CONNECTIONS:
o EQ1 o DDC1
[ TS15 ] Animation C1 ENERGY= 413.4 kJ/mol
Energy+ZPE= 395.2 kJ/mol ZPE= 0.0389592
CONNECTIONS:
o EQ1 o DDC2
[ TS16 ] Animation Cs ENERGY= 97.9 kJ/mol
Energy+ZPE= 106.2 kJ/mol ZPE= 0.0490505
CONNECTIONS:
o EQ2 o EQ2
[ TS17 ] Animation Cs ENERGY= 121.6 kJ/mol
Energy+ZPE= 131.2 kJ/mol ZPE= 0.0495572
CONNECTIONS:
o EQ2 o EQ2
[ TS18 ] Animation Cs ENERGY= 129.3 kJ/mol
Energy+ZPE= 138.2 kJ/mol ZPE= 0.0493089
CONNECTIONS:
o EQ2 o EQ2
[ TS19 ] Animation C1 ENERGY= 115.5 kJ/mol
Energy+ZPE= 123.5 kJ/mol ZPE= 0.0489431
CONNECTIONS:
o EQ2 o EQ3
[ TS20 ] Animation C1 ENERGY= 117.8 kJ/mol
Energy+ZPE= 125.6 kJ/mol ZPE= 0.0488590
CONNECTIONS:
o EQ2 o EQ3
[ TS21 ] Animation C1 ENERGY= 289.4 kJ/mol
Energy+ZPE= 292.4 kJ/mol ZPE= 0.0470279
CONNECTIONS:
o EQ2 o EQ7
[ TS22 ] Animation C1 ENERGY= 248.7 kJ/mol
Energy+ZPE= 246.6 kJ/mol ZPE= 0.0451169
CONNECTIONS:
o EQ2 o EQ8
[ TS23 ] Animation C1 ENERGY= 310.3 kJ/mol
Energy+ZPE= 304.8 kJ/mol ZPE= 0.0438061
CONNECTIONS:
o EQ2 o EQ17
[ TS24 ] Animation C1 ENERGY= 388.7 kJ/mol
Energy+ZPE= 391.6 kJ/mol ZPE= 0.0470185
CONNECTIONS:
o EQ2 o EQ70
[ TS25 ] Animation C1 ENERGY= 725.9 kJ/mol
Energy+ZPE= 727.0 kJ/mol ZPE= 0.0463304
CONNECTIONS:
o EQ2 o EQ93
[ TS26 ] Animation C1 ENERGY= 446.2 kJ/mol
Energy+ZPE= 424.6 kJ/mol ZPE= 0.0376866
CONNECTIONS:
o EQ2 o DDC3
[ TS27 ] Animation Cs ENERGY= 100.4 kJ/mol
Energy+ZPE= 108.7 kJ/mol ZPE= 0.0490500
CONNECTIONS:
o EQ3 o EQ3
[ TS28 ] Animation Cs ENERGY= 127.4 kJ/mol
Energy+ZPE= 137.1 kJ/mol ZPE= 0.0495871
CONNECTIONS:
o EQ3 o EQ3
[ TS29 ] Animation Cs ENERGY= 139.6 kJ/mol
Energy+ZPE= 148.4 kJ/mol ZPE= 0.0492411
CONNECTIONS:
o EQ3 o EQ3
[ TS30 ] Animation C1 ENERGY= 413.5 kJ/mol
Energy+ZPE= 404.1 kJ/mol ZPE= 0.0423192
CONNECTIONS:
o EQ3 o EQ3
[ TS31 ] Animation C1 ENERGY= 546.3 kJ/mol
Energy+ZPE= 549.2 kJ/mol ZPE= 0.0470169
CONNECTIONS:
o EQ3 o EQ3
[ TS32 ] Animation C1 ENERGY= 413.0 kJ/mol
Energy+ZPE= 413.8 kJ/mol ZPE= 0.0462023
CONNECTIONS:
o EQ3 o EQ7
[ TS33 ] Animation C1 ENERGY= 351.7 kJ/mol
Energy+ZPE= 347.3 kJ/mol ZPE= 0.0442062
CONNECTIONS:
o EQ3 o EQ13
[ TS34 ] Animation C1 ENERGY= 302.3 kJ/mol
Energy+ZPE= 298.4 kJ/mol ZPE= 0.0444212
CONNECTIONS:
o EQ3 o EQ15
[ TS35 ] Animation C1 ENERGY= 364.7 kJ/mol
Energy+ZPE= 365.0 kJ/mol ZPE= 0.0459969
CONNECTIONS:
o EQ3 o EQ22
[ TS36 ] Animation C1 ENERGY= 389.2 kJ/mol
Energy+ZPE= 384.1 kJ/mol ZPE= 0.0439475
CONNECTIONS:
o EQ3 o EQ28
[ TS37 ] Animation C1 ENERGY= 414.5 kJ/mol
Energy+ZPE= 411.3 kJ/mol ZPE= 0.0446800
CONNECTIONS:
o EQ3 o EQ36
[ TS38 ] Animation C1 ENERGY= 395.3 kJ/mol
Energy+ZPE= 397.4 kJ/mol ZPE= 0.0467060
CONNECTIONS:
o EQ3 o EQ72
[ TS39 ] Animation C1 ENERGY= 738.2 kJ/mol
Energy+ZPE= 737.5 kJ/mol ZPE= 0.0456457
CONNECTIONS:
o EQ3 o EQ93
[ TS40 ] Animation Cs ENERGY= 103.7 kJ/mol
Energy+ZPE= 116.6 kJ/mol ZPE= 0.0508124
CONNECTIONS:
o EQ4 o EQ4
[ TS41 ] Animation Cs ENERGY= 145.7 kJ/mol
Energy+ZPE= 158.9 kJ/mol ZPE= 0.0509180
CONNECTIONS:
o EQ4 o EQ4
[ TS42 ] Animation Cs ENERGY= 153.1 kJ/mol
Energy+ZPE= 166.9 kJ/mol ZPE= 0.0511673
CONNECTIONS:
o EQ4 o EQ4
[ TS43 ] Animation C1 ENERGY= 166.5 kJ/mol
Energy+ZPE= 166.9 kJ/mol ZPE= 0.0460702
CONNECTIONS:
o EQ4 o EQ12
[ TS44 ] Animation C1 ENERGY= 327.3 kJ/mol
Energy+ZPE= 337.1 kJ/mol ZPE= 0.0496237
CONNECTIONS:
o EQ4 o EQ13
[ TS45 ] Animation C1 ENERGY= 344.0 kJ/mol
Energy+ZPE= 351.5 kJ/mol ZPE= 0.0487389
CONNECTIONS:
o EQ4 o EQ13
[ TS46 ] Animation C1 ENERGY= 290.4 kJ/mol
Energy+ZPE= 288.6 kJ/mol ZPE= 0.0452133
CONNECTIONS:
o EQ4 o EQ16
[ TS47 ] Animation C1 ENERGY= 450.3 kJ/mol
Energy+ZPE= 452.5 kJ/mol ZPE= 0.0467460
CONNECTIONS:
o EQ4 o EQ37
[ TS48 ] Animation C1 ENERGY= 401.0 kJ/mol
Energy+ZPE= 400.1 kJ/mol ZPE= 0.0455538
CONNECTIONS:
o EQ4 o EQ38
[ TS49 ] Animation C1 ENERGY= 430.7 kJ/mol
Energy+ZPE= 430.9 kJ/mol ZPE= 0.0459825
CONNECTIONS:
o EQ4 o EQ51
[ TS50 ] Animation C1 ENERGY= 374.6 kJ/mol
Energy+ZPE= 382.3 kJ/mol ZPE= 0.0488269
CONNECTIONS:
o EQ4 o EQ55
[ TS51 ] Animation C1 ENERGY= 317.8 kJ/mol
Energy+ZPE= 312.8 kJ/mol ZPE= 0.0439971
CONNECTIONS:
o EQ4 o DDC4
[ TS52 ] Animation Cs ENERGY= 99.0 kJ/mol
Energy+ZPE= 109.9 kJ/mol ZPE= 0.0500670
CONNECTIONS:
o EQ5 o EQ5
[ TS53 ] Animation C1 ENERGY= 191.3 kJ/mol
Energy+ZPE= 200.5 kJ/mol ZPE= 0.0494056
CONNECTIONS:
o EQ5 o EQ8
[ TS54 ] Animation C1 ENERGY= 200.8 kJ/mol
Energy+ZPE= 209.5 kJ/mol ZPE= 0.0492140
CONNECTIONS:
o EQ5 o EQ8
[ TS55 ] Animation C1 ENERGY= 395.4 kJ/mol
Energy+ZPE= 397.9 kJ/mol ZPE= 0.0468573
CONNECTIONS:
o EQ5 o EQ8
[ TS56 ] Animation C1 ENERGY= 131.2 kJ/mol
Energy+ZPE= 140.7 kJ/mol ZPE= 0.0495213
CONNECTIONS:
o EQ5 o EQ10
[ TS57 ] Animation C1 ENERGY= 131.6 kJ/mol
Energy+ZPE= 141.2 kJ/mol ZPE= 0.0495519
CONNECTIONS:
o EQ5 o EQ10
[ TS58 ] Animation Cs ENERGY= 136.5 kJ/mol
Energy+ZPE= 143.4 kJ/mol ZPE= 0.0485410
CONNECTIONS:
o EQ5 o EQ10
[ TS59 ] Animation C1 ENERGY= 426.3 kJ/mol
Energy+ZPE= 423.2 kJ/mol ZPE= 0.0447341
CONNECTIONS:
o EQ5 o EQ11
[ TS60 ] Animation C1 ENERGY= 231.7 kJ/mol
Energy+ZPE= 236.5 kJ/mol ZPE= 0.0477274
CONNECTIONS:
o EQ5 o EQ19
[ TS61 ] Animation C1 ENERGY= 336.2 kJ/mol
Energy+ZPE= 337.7 kJ/mol ZPE= 0.0464804
CONNECTIONS:
o EQ5 o EQ21
[ TS62 ] Animation C1 ENERGY= 196.0 kJ/mol
Energy+ZPE= 197.5 kJ/mol ZPE= 0.0464567
CONNECTIONS:
o EQ5 o EQ23
[ TS63 ] Animation C1 ENERGY= 331.1 kJ/mol
Energy+ZPE= 320.8 kJ/mol ZPE= 0.0419940
CONNECTIONS:
o EQ5 o EQ60
[ TS64 ] Animation C1 ENERGY= 528.1 kJ/mol
Energy+ZPE= 531.9 kJ/mol ZPE= 0.0473310
CONNECTIONS:
o EQ5 o EQ86
[ TS65 ] Animation C1 ENERGY= 539.3 kJ/mol
Energy+ZPE= 543.0 kJ/mol ZPE= 0.0473188
CONNECTIONS:
o EQ5 o EQ87
[ TS66 ] Animation C1 ENERGY= 324.9 kJ/mol
Energy+ZPE= 319.1 kJ/mol ZPE= 0.0436841
CONNECTIONS:
o EQ5 o DDC5
[ TS67 ] Animation C1 ENERGY= 377.2 kJ/mol
Energy+ZPE= 369.5 kJ/mol ZPE= 0.0429545
CONNECTIONS:
o EQ5 o DDC6
[ TS68 ] Animation C1 ENERGY= 432.3 kJ/mol
Energy+ZPE= 428.5 kJ/mol ZPE= 0.0444670
CONNECTIONS:
o EQ5 o DDC7
[ TS69 ] Animation C1 ENERGY= 466.6 kJ/mol
Energy+ZPE= 444.9 kJ/mol ZPE= 0.0376331
CONNECTIONS:
o EQ5 o DDC8
[ TS70 ] Animation Cs ENERGY= 112.6 kJ/mol
Energy+ZPE= 125.6 kJ/mol ZPE= 0.0508705
CONNECTIONS:
o EQ6 o EQ6
[ TS71 ] Animation Cs ENERGY= 132.0 kJ/mol
Energy+ZPE= 146.4 kJ/mol ZPE= 0.0514037
CONNECTIONS:
o EQ6 o EQ6
[ TS72 ] Animation Cs ENERGY= 137.5 kJ/mol
Energy+ZPE= 151.6 kJ/mol ZPE= 0.0512573
CONNECTIONS:
o EQ6 o EQ6
[ TS73 ] Animation C2 ENERGY= 283.5 kJ/mol
Energy+ZPE= 284.4 kJ/mol ZPE= 0.0462586
CONNECTIONS:
o EQ6 o EQ6
[ TS74 ] Animation C1 ENERGY= 413.2 kJ/mol
Energy+ZPE= 413.3 kJ/mol ZPE= 0.0459293
CONNECTIONS:
o EQ6 o EQ8
[ TS75 ] Animation C1 ENERGY= 239.7 kJ/mol
Energy+ZPE= 248.6 kJ/mol ZPE= 0.0492764
CONNECTIONS:
o EQ6 o EQ11
[ TS76 ] Animation C1 ENERGY= 275.1 kJ/mol
Energy+ZPE= 274.4 kJ/mol ZPE= 0.0456358
CONNECTIONS:
o EQ6 o EQ18
[ TS77 ] Animation C1 ENERGY= 316.9 kJ/mol
Energy+ZPE= 317.9 kJ/mol ZPE= 0.0462704
CONNECTIONS:
o EQ6 o EQ22
[ TS78 ] Animation C1 ENERGY= 479.5 kJ/mol
Energy+ZPE= 476.5 kJ/mol ZPE= 0.0447572
CONNECTIONS:
o EQ6 o EQ25
[ TS79 ] Animation C1 ENERGY= 443.4 kJ/mol
Energy+ZPE= 449.6 kJ/mol ZPE= 0.0482670
CONNECTIONS:
o EQ6 o EQ55
[ TS80 ] Animation C1 ENERGY= 454.6 kJ/mol
Energy+ZPE= 459.7 kJ/mol ZPE= 0.0478572
CONNECTIONS:
o EQ6 o EQ59
[ TS81 ] Animation C1 ENERGY= 459.0 kJ/mol
Energy+ZPE= 463.4 kJ/mol ZPE= 0.0475776
CONNECTIONS:
o EQ6 o EQ59
[ TS82 ] Animation C1 ENERGY= 628.7 kJ/mol
Energy+ZPE= 624.6 kJ/mol ZPE= 0.0443572
CONNECTIONS:
o EQ6 o EQ64
[ TS83 ] Animation Cs ENERGY= 102.8 kJ/mol
Energy+ZPE= 113.3 kJ/mol ZPE= 0.0498864
CONNECTIONS:
o EQ7 o EQ7
[ TS84 ] Animation Cs ENERGY= 141.5 kJ/mol
Energy+ZPE= 143.7 kJ/mol ZPE= 0.0467212
CONNECTIONS:
o EQ7 o DDC9
[ TS85 ] Animation C1 ENERGY= 514.3 kJ/mol
Energy+ZPE= 490.5 kJ/mol ZPE= 0.0368535
CONNECTIONS:
o EQ7 o DDC10
[ TS86 ] Animation Cs ENERGY= 133.0 kJ/mol
Energy+ZPE= 140.4 kJ/mol ZPE= 0.0487160
CONNECTIONS:
o EQ8 o EQ9
[ TS87 ] Animation C1 ENERGY= 139.7 kJ/mol
Energy+ZPE= 149.1 kJ/mol ZPE= 0.0494836
CONNECTIONS:
o EQ8 o EQ9
[ TS88 ] Animation C1 ENERGY= 377.5 kJ/mol
Energy+ZPE= 370.4 kJ/mol ZPE= 0.0431805
CONNECTIONS:
o EQ8 o EQ13
[ TS89 ] Animation C1 ENERGY= 363.6 kJ/mol
Energy+ZPE= 357.1 kJ/mol ZPE= 0.0434281
CONNECTIONS:
o EQ8 o EQ34
[ TS90 ] Animation C1 ENERGY= 345.5 kJ/mol
Energy+ZPE= 342.8 kJ/mol ZPE= 0.0448709
CONNECTIONS:
o EQ8 o EQ45
[ TS91 ] Animation C1 ENERGY= 498.8 kJ/mol
Energy+ZPE= 503.0 kJ/mol ZPE= 0.0475182
CONNECTIONS:
o EQ8 o EQ87
[ TS92 ] Animation C1 ENERGY= 323.4 kJ/mol
Energy+ZPE= 315.8 kJ/mol ZPE= 0.0430248
CONNECTIONS:
o EQ8 o DDC11
[ TS93 ] Animation C1 ENERGY= 469.8 kJ/mol
Energy+ZPE= 448.5 kJ/mol ZPE= 0.0378052
CONNECTIONS:
o EQ8 o DDC12
[ TS94 ] Animation C1 ENERGY= 596.0 kJ/mol
Energy+ZPE= 575.0 kJ/mol ZPE= 0.0379058
CONNECTIONS:
o EQ8 o DDC13
[ TS95 ] Animation C1 ENERGY= 206.5 kJ/mol
Energy+ZPE= 214.1 kJ/mol ZPE= 0.0488147
CONNECTIONS:
o EQ9 o EQ10
[ TS96 ] Animation C1 ENERGY= 213.9 kJ/mol
Energy+ZPE= 221.4 kJ/mol ZPE= 0.0487676
CONNECTIONS:
o EQ9 o EQ10
[ TS97 ] Animation C1 ENERGY= 439.2 kJ/mol
Energy+ZPE= 435.7 kJ/mol ZPE= 0.0445650
CONNECTIONS:
o EQ9 o EQ52
[ TS98 ] Animation C1 ENERGY= 487.9 kJ/mol
Energy+ZPE= 493.1 kJ/mol ZPE= 0.0478793
CONNECTIONS:
o EQ9 o EQ86
[ TS99 ] Animation Cs ENERGY= 128.4 kJ/mol
Energy+ZPE= 137.5 kJ/mol ZPE= 0.0493497
CONNECTIONS:
o EQ10 o EQ10
[ TS100 ] Animation C1 ENERGY= 460.5 kJ/mol
Energy+ZPE= 455.5 kJ/mol ZPE= 0.0439827
CONNECTIONS:
o EQ10 o EQ53
[ TS101 ] Animation C1 ENERGY= 308.7 kJ/mol
Energy+ZPE= 313.6 kJ/mol ZPE= 0.0477630
CONNECTIONS:
o EQ10 o DDC14
[ TS102 ] Animation Cs ENERGY= 135.7 kJ/mol
Energy+ZPE= 149.6 kJ/mol ZPE= 0.0511835
CONNECTIONS:
o EQ11 o EQ11
[ TS103 ] Animation Cs ENERGY= 148.6 kJ/mol
Energy+ZPE= 159.6 kJ/mol ZPE= 0.0500920
CONNECTIONS:
o EQ11 o EQ11
[ TS104 ] Animation Cs ENERGY= 170.6 kJ/mol
Energy+ZPE= 182.7 kJ/mol ZPE= 0.0505251
CONNECTIONS:
o EQ11 o EQ11
[ TS105 ] Animation C1 ENERGY= 294.3 kJ/mol
Energy+ZPE= 294.5 kJ/mol ZPE= 0.0459688
CONNECTIONS:
o EQ11 o EQ27
[ TS106 ] Animation C1 ENERGY= 468.0 kJ/mol
Energy+ZPE= 471.4 kJ/mol ZPE= 0.0472044
CONNECTIONS:
o EQ11 o EQ58
[ TS107 ] Animation C1 ENERGY= 457.0 kJ/mol
Energy+ZPE= 461.1 kJ/mol ZPE= 0.0474489
CONNECTIONS:
o EQ11 o EQ59
[ TS108 ] Animation C1 ENERGY= 478.9 kJ/mol
Energy+ZPE= 482.4 kJ/mol ZPE= 0.0472524
CONNECTIONS:
o EQ11 o EQ62
[ TS109 ] Animation Cs ENERGY= 302.6 kJ/mol
Energy+ZPE= 297.1 kJ/mol ZPE= 0.0437972
CONNECTIONS:
o EQ11 o DDC15
[ TS110 ] Animation C1 ENERGY= 604.0 kJ/mol
Energy+ZPE= 603.8 kJ/mol ZPE= 0.0458256
CONNECTIONS:
o EQ11 o DDC16
[ TS111 ] Animation Cs ENERGY= 140.9 kJ/mol
Energy+ZPE= 150.7 kJ/mol ZPE= 0.0496488
CONNECTIONS:
o EQ12 o EQ12
[ TS112 ] Animation C1 ENERGY= 393.8 kJ/mol
Energy+ZPE= 393.3 kJ/mol ZPE= 0.0457233
CONNECTIONS:
o EQ12 o EQ12
[ TS113 ] Animation C1 ENERGY= 332.5 kJ/mol
Energy+ZPE= 333.2 kJ/mol ZPE= 0.0461590
CONNECTIONS:
o EQ12 o EQ14
[ TS114 ] Animation C1 ENERGY= 391.0 kJ/mol
Energy+ZPE= 388.1 kJ/mol ZPE= 0.0448068
CONNECTIONS:
o EQ12 o EQ14
[ TS115 ] Animation C1 ENERGY= 195.4 kJ/mol
Energy+ZPE= 205.4 kJ/mol ZPE= 0.0496942
CONNECTIONS:
o EQ12 o EQ15
[ TS116 ] Animation C1 ENERGY= 206.5 kJ/mol
Energy+ZPE= 215.0 kJ/mol ZPE= 0.0491525
CONNECTIONS:
o EQ12 o EQ15
[ TS117 ] Animation C1 ENERGY= 417.2 kJ/mol
Energy+ZPE= 411.8 kJ/mol ZPE= 0.0438623
CONNECTIONS:
o EQ12 o EQ16
[ TS118 ] Animation C1 ENERGY= 210.2 kJ/mol
Energy+ZPE= 219.3 kJ/mol ZPE= 0.0493584
CONNECTIONS:
o EQ12 o EQ17
[ TS119 ] Animation C1 ENERGY= 213.1 kJ/mol
Energy+ZPE= 222.1 kJ/mol ZPE= 0.0493189
CONNECTIONS:
o EQ12 o EQ17
[ TS120 ] Animation C1 ENERGY= 340.1 kJ/mol
Energy+ZPE= 336.0 kJ/mol ZPE= 0.0443370
CONNECTIONS:
o EQ12 o EQ23
[ TS121 ] Animation C1 ENERGY= 371.1 kJ/mol
Energy+ZPE= 367.6 kJ/mol ZPE= 0.0445725
CONNECTIONS:
o EQ12 o EQ32
[ TS122 ] Animation C1 ENERGY= 392.2 kJ/mol
Energy+ZPE= 391.5 kJ/mol ZPE= 0.0456173
CONNECTIONS:
o EQ12 o EQ40
[ TS123 ] Animation C1 ENERGY= 507.4 kJ/mol
Energy+ZPE= 506.0 kJ/mol ZPE= 0.0453698
CONNECTIONS:
o EQ12 o EQ77
[ TS124 ] Animation C1 ENERGY= 507.3 kJ/mol
Energy+ZPE= 507.1 kJ/mol ZPE= 0.0458086
CONNECTIONS:
o EQ12 o EQ84
[ TS125 ] Animation C1 ENERGY= 305.0 kJ/mol
Energy+ZPE= 301.4 kJ/mol ZPE= 0.0445223
CONNECTIONS:
o EQ12 o DDC17
[ TS126 ] Animation C1 ENERGY= 306.8 kJ/mol
Energy+ZPE= 303.2 kJ/mol ZPE= 0.0445440
CONNECTIONS:
o EQ12 o DDC18
[ TS127 ] Animation Cs ENERGY= 173.0 kJ/mol
Energy+ZPE= 181.4 kJ/mol ZPE= 0.0490880
CONNECTIONS:
o EQ13 o EQ13
[ TS128 ] Animation Cs ENERGY= 184.4 kJ/mol
Energy+ZPE= 194.0 kJ/mol ZPE= 0.0495706
CONNECTIONS:
o EQ13 o EQ13
[ TS129 ] Animation Cs ENERGY= 246.1 kJ/mol
Energy+ZPE= 247.1 kJ/mol ZPE= 0.0462984
CONNECTIONS:
o EQ13 o EQ34
[ TS130 ] Animation C1 ENERGY= 432.5 kJ/mol
Energy+ZPE= 430.4 kJ/mol ZPE= 0.0451147
CONNECTIONS:
o EQ13 o EQ45
[ TS131 ] Animation C1 ENERGY= 450.6 kJ/mol
Energy+ZPE= 446.0 kJ/mol ZPE= 0.0441614
CONNECTIONS:
o EQ13 o EQ46
[ TS132 ] Animation C1 ENERGY= 352.6 kJ/mol
Energy+ZPE= 357.1 kJ/mol ZPE= 0.0476119
CONNECTIONS:
o EQ13 o EQ55
[ TS133 ] Animation C1 ENERGY= 372.0 kJ/mol
Energy+ZPE= 377.2 kJ/mol ZPE= 0.0478748
CONNECTIONS:
o EQ13 o EQ59
[ TS134 ] Animation C1 ENERGY= 606.1 kJ/mol
Energy+ZPE= 610.9 kJ/mol ZPE= 0.0477283
CONNECTIONS:
o EQ13 o EQ86
[ TS135 ] Animation C1 ENERGY= 604.1 kJ/mol
Energy+ZPE= 607.1 kJ/mol ZPE= 0.0470345
CONNECTIONS:
o EQ13 o EQ87
[ TS136 ] Animation C1 ENERGY= 344.4 kJ/mol
Energy+ZPE= 340.8 kJ/mol ZPE= 0.0445368
CONNECTIONS:
o EQ13 o DDC19
[ TS137 ] Animation C1 ENERGY= 368.1 kJ/mol
Energy+ZPE= 353.1 kJ/mol ZPE= 0.0401694
CONNECTIONS:
o EQ13 o DDC20
[ TS138 ] Animation C1 ENERGY= 520.9 kJ/mol
Energy+ZPE= 499.5 kJ/mol ZPE= 0.0377580
CONNECTIONS:
o EQ13 o DDC21
[ TS139 ] Animation C1 ENERGY= 543.2 kJ/mol
Energy+ZPE= 537.3 kJ/mol ZPE= 0.0436646
CONNECTIONS:
o EQ13 o DDC22
[ TS140 ] Animation Cs ENERGY= 491.7 kJ/mol
Energy+ZPE= 489.1 kJ/mol ZPE= 0.0448943
CONNECTIONS:
o EQ14 o EQ14
[ TS141 ] Animation C1 ENERGY= 473.4 kJ/mol
Energy+ZPE= 471.9 kJ/mol ZPE= 0.0453334
CONNECTIONS:
o EQ14 o EQ15
[ TS142 ] Animation C1 ENERGY= 169.4 kJ/mol
Energy+ZPE= 177.7 kJ/mol ZPE= 0.0490701
CONNECTIONS:
o EQ14 o EQ16
[ TS143 ] Animation C1 ENERGY= 178.7 kJ/mol
Energy+ZPE= 186.8 kJ/mol ZPE= 0.0489868
CONNECTIONS:
o EQ14 o EQ16
[ TS144 ] Animation C1 ENERGY= 187.9 kJ/mol
Energy+ZPE= 194.5 kJ/mol ZPE= 0.0484078
CONNECTIONS:
o EQ14 o EQ16
[ TS145 ] Animation C1 ENERGY= 373.6 kJ/mol
Energy+ZPE= 369.2 kJ/mol ZPE= 0.0442369
CONNECTIONS:
o EQ14 o EQ19
[ TS146 ] Animation C1 ENERGY= 193.0 kJ/mol
Energy+ZPE= 201.6 kJ/mol ZPE= 0.0491848
CONNECTIONS:
o EQ14 o EQ20
[ TS147 ] Animation C1 ENERGY= 216.3 kJ/mol
Energy+ZPE= 223.3 kJ/mol ZPE= 0.0485719
CONNECTIONS:
o EQ14 o EQ20
[ TS148 ] Animation C1 ENERGY= 223.2 kJ/mol
Energy+ZPE= 217.6 kJ/mol ZPE= 0.0437591
CONNECTIONS:
o EQ14 o DDC23
[ TS149 ] Animation C1 ENERGY= 297.7 kJ/mol
Energy+ZPE= 291.0 kJ/mol ZPE= 0.0433450
CONNECTIONS:
o EQ14 o DDC24
[ TS150 ] Animation C1 ENERGY= 307.1 kJ/mol
Energy+ZPE= 302.4 kJ/mol ZPE= 0.0441061
CONNECTIONS:
o EQ14 o DDC25
[ TS151 ] Animation C1 ENERGY= 163.5 kJ/mol
Energy+ZPE= 172.0 kJ/mol ZPE= 0.0491308
CONNECTIONS:
o EQ15 o EQ17
[ TS152 ] Animation C1 ENERGY= 167.4 kJ/mol
Energy+ZPE= 175.7 kJ/mol ZPE= 0.0490724
CONNECTIONS:
o EQ15 o EQ17
[ TS153 ] Animation C1 ENERGY= 185.4 kJ/mol
Energy+ZPE= 193.7 kJ/mol ZPE= 0.0490682
CONNECTIONS:
o EQ15 o EQ17
[ TS154 ] Animation C1 ENERGY= 458.4 kJ/mol
Energy+ZPE= 456.0 kJ/mol ZPE= 0.0449860
CONNECTIONS:
o EQ15 o EQ18
[ TS155 ] Animation C1 ENERGY= 342.4 kJ/mol
Energy+ZPE= 342.3 kJ/mol ZPE= 0.0458659
CONNECTIONS:
o EQ15 o EQ20
[ TS156 ] Animation C1 ENERGY= 344.6 kJ/mol
Energy+ZPE= 344.0 kJ/mol ZPE= 0.0456813
CONNECTIONS:
o EQ15 o EQ20
[ TS157 ] Animation C1 ENERGY= 433.9 kJ/mol
Energy+ZPE= 429.3 kJ/mol ZPE= 0.0441409
CONNECTIONS:
o EQ15 o EQ36
[ TS158 ] Animation C1 ENERGY= 359.4 kJ/mol
Energy+ZPE= 358.8 kJ/mol ZPE= 0.0456755
CONNECTIONS:
o EQ15 o EQ41
[ TS159 ] Animation C1 ENERGY= 470.5 kJ/mol
Energy+ZPE= 462.9 kJ/mol ZPE= 0.0429992
CONNECTIONS:
o EQ15 o EQ41
[ TS160 ] Animation C1 ENERGY= 351.2 kJ/mol
Energy+ZPE= 348.0 kJ/mol ZPE= 0.0446632
CONNECTIONS:
o EQ15 o EQ45
[ TS161 ] Animation C1 ENERGY= 396.9 kJ/mol
Energy+ZPE= 395.1 kJ/mol ZPE= 0.0452213
CONNECTIONS:
o EQ15 o EQ47
[ TS162 ] Animation C1 ENERGY= 595.8 kJ/mol
Energy+ZPE= 589.3 kJ/mol ZPE= 0.0434104
CONNECTIONS:
o EQ15 o EQ57
[ TS163 ] Animation C1 ENERGY= 466.8 kJ/mol
Energy+ZPE= 468.9 kJ/mol ZPE= 0.0466943
CONNECTIONS:
o EQ15 o EQ81
[ TS164 ] Animation C1 ENERGY= 353.4 kJ/mol
Energy+ZPE= 348.0 kJ/mol ZPE= 0.0438417
CONNECTIONS:
o EQ15 o DDC26
[ TS165 ] Animation C1 ENERGY= 363.8 kJ/mol
Energy+ZPE= 357.6 kJ/mol ZPE= 0.0435531
CONNECTIONS:
o EQ15 o DDC27
[ TS166 ] Animation C1 ENERGY= 199.2 kJ/mol
Energy+ZPE= 207.5 kJ/mol ZPE= 0.0490756
CONNECTIONS:
o EQ16 o EQ26
[ TS167 ] Animation C1 ENERGY= 249.8 kJ/mol
Energy+ZPE= 254.2 kJ/mol ZPE= 0.0475955
CONNECTIONS:
o EQ16 o EQ26
[ TS168 ] Animation C1 ENERGY= 505.8 kJ/mol
Energy+ZPE= 507.6 kJ/mol ZPE= 0.0465936
CONNECTIONS:
o EQ16 o EQ81
[ TS169 ] Animation C1 ENERGY= 250.4 kJ/mol
Energy+ZPE= 242.7 kJ/mol ZPE= 0.0429859
CONNECTIONS:
o EQ16 o DDC28
[ TS170 ] Animation C1 ENERGY= 317.4 kJ/mol
Energy+ZPE= 309.5 kJ/mol ZPE= 0.0428881
CONNECTIONS:
o EQ16 o DDC29
[ TS171 ] Animation C1 ENERGY= 333.8 kJ/mol
Energy+ZPE= 327.8 kJ/mol ZPE= 0.0436237
CONNECTIONS:
o EQ16 o DDC30
[ TS172 ] Animation C1 ENERGY= 633.6 kJ/mol
Energy+ZPE= 627.4 kJ/mol ZPE= 0.0435509
CONNECTIONS:
o EQ17 o EQ53
[ TS173 ] Animation C1 ENERGY= 484.8 kJ/mol
Energy+ZPE= 477.8 kJ/mol ZPE= 0.0432199
CONNECTIONS:
o EQ18 o EQ20
[ TS174 ] Animation C1 ENERGY= 561.2 kJ/mol
Energy+ZPE= 551.8 kJ/mol ZPE= 0.0423115
CONNECTIONS:
o EQ18 o EQ24
[ TS175 ] Animation C1 ENERGY= 269.4 kJ/mol
Energy+ZPE= 276.4 kJ/mol ZPE= 0.0485604
CONNECTIONS:
o EQ18 o EQ27
[ TS176 ] Animation C1 ENERGY= 200.3 kJ/mol
Energy+ZPE= 209.9 kJ/mol ZPE= 0.0495524
CONNECTIONS:
o EQ18 o EQ33
[ TS177 ] Animation C1 ENERGY= 260.0 kJ/mol
Energy+ZPE= 265.8 kJ/mol ZPE= 0.0481037
CONNECTIONS:
o EQ18 o EQ35
[ TS178 ] Animation C1 ENERGY= 462.2 kJ/mol
Energy+ZPE= 466.0 kJ/mol ZPE= 0.0473590
CONNECTIONS:
o EQ18 o EQ56
[ TS179 ] Animation C1 ENERGY= 575.4 kJ/mol
Energy+ZPE= 569.1 kJ/mol ZPE= 0.0434825
CONNECTIONS:
o EQ18 o DDC31
[ TS180 ] Animation C1 ENERGY= 579.3 kJ/mol
Energy+ZPE= 572.8 kJ/mol ZPE= 0.0434207
CONNECTIONS:
o EQ18 o DDC32
[ TS181 ] Animation C1 ENERGY= 367.5 kJ/mol
Energy+ZPE= 372.2 kJ/mol ZPE= 0.0476891
CONNECTIONS:
o EQ19 o EQ28
[ TS182 ] Animation C1 ENERGY= 373.4 kJ/mol
Energy+ZPE= 378.2 kJ/mol ZPE= 0.0477410
CONNECTIONS:
o EQ19 o EQ28
[ TS183 ] Animation C1 ENERGY= 285.2 kJ/mol
Energy+ZPE= 292.4 kJ/mol ZPE= 0.0486255
CONNECTIONS:
o EQ19 o EQ32
[ TS184 ] Animation C1 ENERGY= 389.3 kJ/mol
Energy+ZPE= 389.5 kJ/mol ZPE= 0.0459955
CONNECTIONS:
o EQ19 o EQ38
[ TS185 ] Animation C1 ENERGY= 541.8 kJ/mol
Energy+ZPE= 540.9 kJ/mol ZPE= 0.0455712
CONNECTIONS:
o EQ19 o EQ42
[ TS186 ] Animation C1 ENERGY= 440.8 kJ/mol
Energy+ZPE= 443.1 kJ/mol ZPE= 0.0467866
CONNECTIONS:
o EQ19 o EQ50
[ TS187 ] Animation C1 ENERGY= 426.8 kJ/mol
Energy+ZPE= 431.3 kJ/mol ZPE= 0.0476000
CONNECTIONS:
o EQ19 o EQ53
[ TS188 ] Animation C1 ENERGY= 440.9 kJ/mol
Energy+ZPE= 445.4 kJ/mol ZPE= 0.0476030
CONNECTIONS:
o EQ19 o EQ56
[ TS189 ] Animation C1 ENERGY= 436.8 kJ/mol
Energy+ZPE= 430.3 kJ/mol ZPE= 0.0434182
CONNECTIONS:
o EQ19 o DDC33
[ TS190 ] Animation C1 ENERGY= 183.2 kJ/mol
Energy+ZPE= 189.0 kJ/mol ZPE= 0.0481292
CONNECTIONS:
o EQ20 o EQ26
[ TS191 ] Animation C1 ENERGY= 188.6 kJ/mol
Energy+ZPE= 194.3 kJ/mol ZPE= 0.0480553
CONNECTIONS:
o EQ20 o EQ26
[ TS192 ] Animation C1 ENERGY= 209.5 kJ/mol
Energy+ZPE= 214.8 kJ/mol ZPE= 0.0479057
CONNECTIONS:
o EQ20 o EQ26
[ TS193 ] Animation C1 ENERGY= 431.5 kJ/mol
Energy+ZPE= 425.9 kJ/mol ZPE= 0.0437655
CONNECTIONS:
o EQ20 o EQ28
[ TS194 ] Animation C1 ENERGY= 364.7 kJ/mol
Energy+ZPE= 360.1 kJ/mol ZPE= 0.0441558
CONNECTIONS:
o EQ20 o EQ46
[ TS195 ] Animation C1 ENERGY= 424.9 kJ/mol
Energy+ZPE= 419.9 kJ/mol ZPE= 0.0439856
CONNECTIONS:
o EQ20 o EQ49
[ TS196 ] Animation C1 ENERGY= 461.7 kJ/mol
Energy+ZPE= 465.5 kJ/mol ZPE= 0.0473644
CONNECTIONS:
o EQ20 o EQ77
[ TS197 ] Animation C1 ENERGY= 486.9 kJ/mol
Energy+ZPE= 488.8 kJ/mol ZPE= 0.0466118
CONNECTIONS:
o EQ20 o EQ84
[ TS198 ] Animation C1 ENERGY= 262.7 kJ/mol
Energy+ZPE= 260.5 kJ/mol ZPE= 0.0450783
CONNECTIONS:
o EQ20 o DDC34
[ TS199 ] Animation C1 ENERGY= 368.6 kJ/mol
Energy+ZPE= 351.9 kJ/mol ZPE= 0.0395390
CONNECTIONS:
o EQ20 o DDC35
[ TS200 ] Animation C1 ENERGY= 376.2 kJ/mol
Energy+ZPE= 367.5 kJ/mol ZPE= 0.0425840
CONNECTIONS:
o EQ20 o DDC36
[ TS201 ] Animation Cs ENERGY= 188.1 kJ/mol
Energy+ZPE= 197.1 kJ/mol ZPE= 0.0493160
CONNECTIONS:
o EQ21 o EQ21
[ TS202 ] Animation Cs ENERGY= 222.7 kJ/mol
Energy+ZPE= 227.7 kJ/mol ZPE= 0.0477896
CONNECTIONS:
o EQ21 o EQ21
[ TS203 ] Animation C1 ENERGY= 221.7 kJ/mol
Energy+ZPE= 229.6 kJ/mol ZPE= 0.0488989
CONNECTIONS:
o EQ21 o EQ29
[ TS204 ] Animation C1 ENERGY= 223.0 kJ/mol
Energy+ZPE= 230.9 kJ/mol ZPE= 0.0489040
CONNECTIONS:
o EQ21 o EQ30
[ TS205 ] Animation Cs ENERGY= 320.9 kJ/mol
Energy+ZPE= 320.0 kJ/mol ZPE= 0.0455529
CONNECTIONS:
o EQ21 o EQ31
[ TS206 ] Animation Cs ENERGY= 412.3 kJ/mol
Energy+ZPE= 405.1 kJ/mol ZPE= 0.0431773
CONNECTIONS:
o EQ21 o EQ37
[ TS207 ] Animation C1 ENERGY= 298.8 kJ/mol
Energy+ZPE= 298.7 kJ/mol ZPE= 0.0458615
CONNECTIONS:
o EQ21 o EQ54
[ TS208 ] Animation C1 ENERGY= 343.6 kJ/mol
Energy+ZPE= 345.9 kJ/mol ZPE= 0.0467867
CONNECTIONS:
o EQ21 o EQ61
[ TS209 ] Animation Cs ENERGY= 404.5 kJ/mol
Energy+ZPE= 399.1 kJ/mol ZPE= 0.0438447
CONNECTIONS:
o EQ21 o DDC37
[ TS210 ] Animation C1 ENERGY= 513.8 kJ/mol
Energy+ZPE= 500.2 kJ/mol ZPE= 0.0407200
CONNECTIONS:
o EQ21 o DDC38
[ TS211 ] Animation Cs ENERGY= 188.7 kJ/mol
Energy+ZPE= 194.9 kJ/mol ZPE= 0.0482688
CONNECTIONS:
o EQ22 o EQ22
[ TS212 ] Animation Cs ENERGY= 190.9 kJ/mol
Energy+ZPE= 198.1 kJ/mol ZPE= 0.0486549
CONNECTIONS:
o EQ22 o EQ22
[ TS213 ] Animation Cs ENERGY= 202.9 kJ/mol
Energy+ZPE= 211.5 kJ/mol ZPE= 0.0491935
CONNECTIONS:
o EQ22 o EQ22
[ TS214 ] Animation Cs ENERGY= 206.6 kJ/mol
Energy+ZPE= 213.7 kJ/mol ZPE= 0.0486235
CONNECTIONS:
o EQ22 o EQ22
[ TS215 ] Animation C1 ENERGY= 212.8 kJ/mol
Energy+ZPE= 218.6 kJ/mol ZPE= 0.0481246
CONNECTIONS:
o EQ22 o EQ22
[ TS216 ] Animation C1 ENERGY= 553.9 kJ/mol
Energy+ZPE= 544.4 kJ/mol ZPE= 0.0422724
CONNECTIONS:
o EQ22 o EQ57
[ TS217 ] Animation C1 ENERGY= 564.8 kJ/mol
Energy+ZPE= 554.1 kJ/mol ZPE= 0.0418380
CONNECTIONS:
o EQ22 o EQ57
[ TS218 ] Animation C1 ENERGY= 454.9 kJ/mol
Energy+ZPE= 452.8 kJ/mol ZPE= 0.0450915
CONNECTIONS:
o EQ22 o EQ70
[ TS219 ] Animation C1 ENERGY= 455.6 kJ/mol
Energy+ZPE= 454.9 kJ/mol ZPE= 0.0456181
CONNECTIONS:
o EQ22 o EQ70
[ TS220 ] Animation C1 ENERGY= 456.1 kJ/mol
Energy+ZPE= 452.3 kJ/mol ZPE= 0.0444503
CONNECTIONS:
o EQ22 o EQ70
[ TS221 ] Animation C1 ENERGY= 448.5 kJ/mol
Energy+ZPE= 446.4 kJ/mol ZPE= 0.0451121
CONNECTIONS:
o EQ22 o EQ72
[ TS222 ] Animation C1 ENERGY= 663.9 kJ/mol
Energy+ZPE= 651.0 kJ/mol ZPE= 0.0409985
CONNECTIONS:
o EQ22 o EQ77
[ TS223 ] Animation C1 ENERGY= 236.8 kJ/mol
Energy+ZPE= 231.8 kJ/mol ZPE= 0.0439785
CONNECTIONS:
o EQ22 o DDC39
[ TS224 ] Animation C1 ENERGY= 211.2 kJ/mol
Energy+ZPE= 221.5 kJ/mol ZPE= 0.0498250
CONNECTIONS:
o EQ23 o EQ32
[ TS225 ] Animation C1 ENERGY= 399.3 kJ/mol
Energy+ZPE= 402.7 kJ/mol ZPE= 0.0471785
CONNECTIONS:
o EQ23 o EQ36
[ TS226 ] Animation C1 ENERGY= 544.9 kJ/mol
Energy+ZPE= 541.7 kJ/mol ZPE= 0.0446869
CONNECTIONS:
o EQ23 o EQ44
[ TS227 ] Animation C1 ENERGY= 554.7 kJ/mol
Energy+ZPE= 554.1 kJ/mol ZPE= 0.0456568
CONNECTIONS:
o EQ23 o EQ44
[ TS228 ] Animation C1 ENERGY= 431.3 kJ/mol
Energy+ZPE= 435.8 kJ/mol ZPE= 0.0476255
CONNECTIONS:
o EQ23 o EQ52
[ TS229 ] Animation C1 ENERGY= 484.2 kJ/mol
Energy+ZPE= 482.1 kJ/mol ZPE= 0.0450959
CONNECTIONS:
o EQ23 o EQ63
[ TS230 ] Animation C1 ENERGY= 192.5 kJ/mol
Energy+ZPE= 200.5 kJ/mol ZPE= 0.0489310
CONNECTIONS:
o EQ24 o EQ25
[ TS231 ] Animation Cs ENERGY= 215.3 kJ/mol
Energy+ZPE= 219.4 kJ/mol ZPE= 0.0474666
CONNECTIONS:
o EQ24 o EQ25
[ TS232 ] Animation Cs ENERGY= 331.8 kJ/mol
Energy+ZPE= 330.9 kJ/mol ZPE= 0.0455750
CONNECTIONS:
o EQ24 o EQ29
[ TS233 ] Animation C1 ENERGY= 225.4 kJ/mol
Energy+ZPE= 230.4 kJ/mol ZPE= 0.0478220
CONNECTIONS:
o EQ24 o EQ31
[ TS234 ] Animation C1 ENERGY= 707.3 kJ/mol
Energy+ZPE= 703.7 kJ/mol ZPE= 0.0445160
CONNECTIONS:
o EQ24 o EQ62
[ TS235 ] Animation Cs ENERGY= 236.3 kJ/mol
Energy+ZPE= 234.9 kJ/mol ZPE= 0.0453505
CONNECTIONS:
o EQ24 o DDC40
[ TS236 ] Animation C1 ENERGY= 514.8 kJ/mol
Energy+ZPE= 504.8 kJ/mol ZPE= 0.0420884
CONNECTIONS:
o EQ24 o DDC41
[ TS237 ] Animation C1 ENERGY= 520.9 kJ/mol
Energy+ZPE= 493.3 kJ/mol ZPE= 0.0353962
CONNECTIONS:
o EQ24 o DDC42
[ TS238 ] Animation Cs ENERGY= 334.4 kJ/mol
Energy+ZPE= 334.1 kJ/mol ZPE= 0.0457865
CONNECTIONS:
o EQ25 o EQ30
[ TS239 ] Animation C1 ENERGY= 316.3 kJ/mol
Energy+ZPE= 315.2 kJ/mol ZPE= 0.0454776
CONNECTIONS:
o EQ25 o EQ47
[ TS240 ] Animation C1 ENERGY= 218.7 kJ/mol
Energy+ZPE= 225.2 kJ/mol ZPE= 0.0483682
CONNECTIONS:
o EQ25 o DDC43
[ TS241 ] Animation Cs ENERGY= 242.4 kJ/mol
Energy+ZPE= 240.7 kJ/mol ZPE= 0.0452435
CONNECTIONS:
o EQ25 o DDC44
[ TS242 ] Animation C1 ENERGY= 425.4 kJ/mol
Energy+ZPE= 419.7 kJ/mol ZPE= 0.0437317
CONNECTIONS:
o EQ26 o EQ76
[ TS243 ] Animation C1 ENERGY= 361.7 kJ/mol
Energy+ZPE= 357.8 kJ/mol ZPE= 0.0444046
CONNECTIONS:
o EQ26 o DDC45
[ TS244 ] Animation C1 ENERGY= 378.8 kJ/mol
Energy+ZPE= 368.4 kJ/mol ZPE= 0.0419259
CONNECTIONS:
o EQ26 o DDC46
[ TS245 ] Animation C1 ENERGY= 379.1 kJ/mol
Energy+ZPE= 361.3 kJ/mol ZPE= 0.0391292
CONNECTIONS:
o EQ26 o DDC47
[ TS246 ] Animation Cs ENERGY= 210.8 kJ/mol
Energy+ZPE= 221.1 kJ/mol ZPE= 0.0498346
CONNECTIONS:
o EQ27 o EQ27
[ TS247 ] Animation C1 ENERGY= 262.2 kJ/mol
Energy+ZPE= 269.9 kJ/mol ZPE= 0.0488338
CONNECTIONS:
o EQ27 o EQ33
[ TS248 ] Animation C1 ENERGY= 447.3 kJ/mol
Energy+ZPE= 451.7 kJ/mol ZPE= 0.0475834
CONNECTIONS:
o EQ27 o EQ50
[ TS249 ] Animation Cs ENERGY= 183.4 kJ/mol
Energy+ZPE= 193.8 kJ/mol ZPE= 0.0498434
CONNECTIONS:
o EQ28 o EQ28
[ TS250 ] Animation C1 ENERGY= 296.0 kJ/mol
Energy+ZPE= 300.3 kJ/mol ZPE= 0.0475501
CONNECTIONS:
o EQ28 o EQ36
[ TS251 ] Animation C1 ENERGY= 412.9 kJ/mol
Energy+ZPE= 408.3 kJ/mol ZPE= 0.0441643
CONNECTIONS:
o EQ28 o EQ41
[ TS252 ] Animation C1 ENERGY= 421.9 kJ/mol
Energy+ZPE= 419.7 kJ/mol ZPE= 0.0450705
CONNECTIONS:
o EQ28 o EQ46
[ TS253 ] Animation C1 ENERGY= 422.0 kJ/mol
Energy+ZPE= 416.7 kJ/mol ZPE= 0.0438898
CONNECTIONS:
o EQ28 o EQ48
[ TS254 ] Animation C1 ENERGY= 379.9 kJ/mol
Energy+ZPE= 387.0 kJ/mol ZPE= 0.0486033
CONNECTIONS:
o EQ28 o EQ50
[ TS255 ] Animation C1 ENERGY= 384.9 kJ/mol
Energy+ZPE= 390.5 kJ/mol ZPE= 0.0480228
CONNECTIONS:
o EQ28 o EQ52
[ TS256 ] Animation C1 ENERGY= 383.7 kJ/mol
Energy+ZPE= 389.3 kJ/mol ZPE= 0.0480389
CONNECTIONS:
o EQ28 o EQ57
[ TS257 ] Animation C1 ENERGY= 417.9 kJ/mol
Energy+ZPE= 420.7 kJ/mol ZPE= 0.0469824
CONNECTIONS:
o EQ28 o EQ63
[ TS258 ] Animation C1 ENERGY= 584.2 kJ/mol
Energy+ZPE= 585.0 kJ/mol ZPE= 0.0462225
CONNECTIONS:
o EQ28 o EQ77
[ TS259 ] Animation C1 ENERGY= 333.8 kJ/mol
Energy+ZPE= 329.1 kJ/mol ZPE= 0.0441173
CONNECTIONS:
o EQ28 o DDC48
[ TS260 ] Animation C1 ENERGY= 197.4 kJ/mol
Energy+ZPE= 206.8 kJ/mol ZPE= 0.0494982
CONNECTIONS:
o EQ29 o EQ30
[ TS261 ] Animation Cs ENERGY= 226.5 kJ/mol
Energy+ZPE= 232.4 kJ/mol ZPE= 0.0481357
CONNECTIONS:
o EQ29 o EQ30
[ TS262 ] Animation Cs ENERGY= 465.9 kJ/mol
Energy+ZPE= 456.1 kJ/mol ZPE= 0.0421831
CONNECTIONS:
o EQ29 o EQ43
[ TS263 ] Animation C1 ENERGY= 431.2 kJ/mol
Energy+ZPE= 427.8 kJ/mol ZPE= 0.0446007
CONNECTIONS:
o EQ29 o EQ80
[ TS264 ] Animation C1 ENERGY= 445.5 kJ/mol
Energy+ZPE= 442.5 kJ/mol ZPE= 0.0447628
CONNECTIONS:
o EQ29 o EQ85
[ TS265 ] Animation C1 ENERGY= 610.6 kJ/mol
Energy+ZPE= 609.7 kJ/mol ZPE= 0.0455581
CONNECTIONS:
o EQ29 o EQ91
[ TS266 ] Animation C1 ENERGY= 523.5 kJ/mol
Energy+ZPE= 516.0 kJ/mol ZPE= 0.0430333
CONNECTIONS:
o EQ29 o DDC49
[ TS267 ] Animation C1 ENERGY= 528.4 kJ/mol
Energy+ZPE= 519.4 kJ/mol ZPE= 0.0424670
CONNECTIONS:
o EQ29 o DDC50
[ TS268 ] Animation C1 ENERGY= 539.4 kJ/mol
Energy+ZPE= 512.7 kJ/mol ZPE= 0.0357358
CONNECTIONS:
o EQ29 o DDC51
[ TS269 ] Animation Cs ENERGY= 340.2 kJ/mol
Energy+ZPE= 336.8 kJ/mol ZPE= 0.0446098
CONNECTIONS:
o EQ30 o EQ43
[ TS270 ] Animation C1 ENERGY= 411.5 kJ/mol
Energy+ZPE= 412.0 kJ/mol ZPE= 0.0460961
CONNECTIONS:
o EQ30 o EQ47
[ TS271 ] Animation C1 ENERGY= 621.9 kJ/mol
Energy+ZPE= 619.8 kJ/mol ZPE= 0.0451009
CONNECTIONS:
o EQ30 o EQ92
[ TS272 ] Animation C1 ENERGY= 324.2 kJ/mol
Energy+ZPE= 322.6 kJ/mol ZPE= 0.0453096
CONNECTIONS:
o EQ30 o DDC52
[ TS273 ] Animation C1 ENERGY= 429.9 kJ/mol
Energy+ZPE= 428.4 kJ/mol ZPE= 0.0453350
CONNECTIONS:
o EQ30 o DDC53
[ TS274 ] Animation Cs ENERGY= 464.3 kJ/mol
Energy+ZPE= 455.1 kJ/mol ZPE= 0.0423953
CONNECTIONS:
o EQ30 o DDC54
[ TS275 ] Animation Cs ENERGY= 190.4 kJ/mol
Energy+ZPE= 193.4 kJ/mol ZPE= 0.0470354
CONNECTIONS:
o EQ31 o DDC55
[ TS276 ] Animation C1 ENERGY= 223.8 kJ/mol
Energy+ZPE= 229.2 kJ/mol ZPE= 0.0479607
CONNECTIONS:
o EQ31 o DDC56
[ TS277 ] Animation Cs ENERGY= 355.7 kJ/mol
Energy+ZPE= 349.8 kJ/mol ZPE= 0.0436667
CONNECTIONS:
o EQ31 o DDC57
[ TS278 ] Animation C1 ENERGY= 404.3 kJ/mol
Energy+ZPE= 406.8 kJ/mol ZPE= 0.0468611
CONNECTIONS:
o EQ32 o EQ36
[ TS279 ] Animation C1 ENERGY= 549.3 kJ/mol
Energy+ZPE= 545.2 kJ/mol ZPE= 0.0443422
CONNECTIONS:
o EQ32 o EQ42
[ TS280 ] Animation C1 ENERGY= 658.6 kJ/mol
Energy+ZPE= 655.1 kJ/mol ZPE= 0.0445524
CONNECTIONS:
o EQ32 o EQ44
[ TS281 ] Animation C1 ENERGY= 428.2 kJ/mol
Energy+ZPE= 433.2 kJ/mol ZPE= 0.0477866
CONNECTIONS:
o EQ32 o EQ50
[ TS282 ] Animation C1 ENERGY= 437.1 kJ/mol
Energy+ZPE= 436.3 kJ/mol ZPE= 0.0455891
CONNECTIONS:
o EQ32 o EQ51
[ TS283 ] Animation C1 ENERGY= 452.7 kJ/mol
Energy+ZPE= 453.7 kJ/mol ZPE= 0.0462820
CONNECTIONS:
o EQ32 o EQ57
[ TS284 ] Animation Cs ENERGY= 204.2 kJ/mol
Energy+ZPE= 213.7 kJ/mol ZPE= 0.0495208
CONNECTIONS:
o EQ33 o EQ33
[ TS285 ] Animation C1 ENERGY= 453.7 kJ/mol
Energy+ZPE= 457.4 kJ/mol ZPE= 0.0473137
CONNECTIONS:
o EQ33 o EQ53
[ TS286 ] Animation C1 ENERGY= 455.0 kJ/mol
Energy+ZPE= 456.9 kJ/mol ZPE= 0.0466289
CONNECTIONS:
o EQ33 o EQ57
[ TS287 ] Animation Cs ENERGY= 215.3 kJ/mol
Energy+ZPE= 226.2 kJ/mol ZPE= 0.0500588
CONNECTIONS:
o EQ34 o EQ34
[ TS288 ] Animation Cs ENERGY= 241.6 kJ/mol
Energy+ZPE= 244.2 kJ/mol ZPE= 0.0468790
CONNECTIONS:
o EQ34 o DDC58
[ TS289 ] Animation Cs ENERGY= 269.2 kJ/mol
Energy+ZPE= 264.4 kJ/mol ZPE= 0.0440811
CONNECTIONS:
o EQ34 o DDC59
[ TS290 ] Animation C1 ENERGY= 369.3 kJ/mol
Energy+ZPE= 376.2 kJ/mol ZPE= 0.0485404
CONNECTIONS:
o EQ34 o DDC60
[ TS291 ] Animation C1 ENERGY= 480.3 kJ/mol
Energy+ZPE= 463.5 kJ/mol ZPE= 0.0395099
CONNECTIONS:
o EQ34 o DDC61
[ TS292 ] Animation Cs ENERGY= 207.4 kJ/mol
Energy+ZPE= 214.8 kJ/mol ZPE= 0.0487191
CONNECTIONS:
o EQ35 o EQ35
[ TS293 ] Animation Cs ENERGY= 209.3 kJ/mol
Energy+ZPE= 216.7 kJ/mol ZPE= 0.0487112
CONNECTIONS:
o EQ35 o EQ35
[ TS294 ] Animation C1 ENERGY= 455.5 kJ/mol
Energy+ZPE= 457.8 kJ/mol ZPE= 0.0467746
CONNECTIONS:
o EQ35 o EQ50
[ TS295 ] Animation C1 ENERGY= 456.8 kJ/mol
Energy+ZPE= 458.5 kJ/mol ZPE= 0.0465440
CONNECTIONS:
o EQ35 o EQ52
[ TS296 ] Animation C1 ENERGY= 313.3 kJ/mol
Energy+ZPE= 307.1 kJ/mol ZPE= 0.0435444
CONNECTIONS:
o EQ35 o DDC62
[ TS297 ] Animation C1 ENERGY= 319.6 kJ/mol
Energy+ZPE= 312.9 kJ/mol ZPE= 0.0433577
CONNECTIONS:
o EQ35 o DDC63
[ TS298 ] Animation Cs ENERGY= 253.1 kJ/mol
Energy+ZPE= 259.3 kJ/mol ZPE= 0.0482640
CONNECTIONS:
o EQ36 o EQ36
[ TS299 ] Animation C1 ENERGY= 438.9 kJ/mol
Energy+ZPE= 435.7 kJ/mol ZPE= 0.0446787
CONNECTIONS:
o EQ36 o EQ45
[ TS300 ] Animation C1 ENERGY= 375.8 kJ/mol
Energy+ZPE= 381.3 kJ/mol ZPE= 0.0479918
CONNECTIONS:
o EQ36 o EQ50
[ TS301 ] Animation C1 ENERGY= 404.0 kJ/mol
Energy+ZPE= 407.1 kJ/mol ZPE= 0.0470819
CONNECTIONS:
o EQ36 o EQ52
[ TS302 ] Animation C1 ENERGY= 399.0 kJ/mol
Energy+ZPE= 402.6 kJ/mol ZPE= 0.0472862
CONNECTIONS:
o EQ36 o EQ53
[ TS303 ] Animation C1 ENERGY= 396.5 kJ/mol
Energy+ZPE= 401.2 kJ/mol ZPE= 0.0476852
CONNECTIONS:
o EQ36 o EQ56
[ TS304 ] Animation C1 ENERGY= 606.4 kJ/mol
Energy+ZPE= 604.7 kJ/mol ZPE= 0.0452650
CONNECTIONS:
o EQ36 o EQ81
[ TS305 ] Animation C1 ENERGY= 337.8 kJ/mol
Energy+ZPE= 333.5 kJ/mol ZPE= 0.0442531
CONNECTIONS:
o EQ36 o DDC64
[ TS306 ] Animation C1 ENERGY= 410.6 kJ/mol
Energy+ZPE= 393.7 kJ/mol ZPE= 0.0394832
CONNECTIONS:
o EQ36 o DDC65
[ TS307 ] Animation Cs ENERGY= 252.7 kJ/mol
Energy+ZPE= 253.9 kJ/mol ZPE= 0.0463589
CONNECTIONS:
o EQ37 o EQ39
[ TS308 ] Animation C1 ENERGY= 260.5 kJ/mol
Energy+ZPE= 267.0 kJ/mol ZPE= 0.0483864
CONNECTIONS:
o EQ37 o EQ39
[ TS309 ] Animation C1 ENERGY= 272.9 kJ/mol
Energy+ZPE= 275.7 kJ/mol ZPE= 0.0469667
CONNECTIONS:
o EQ37 o EQ43
[ TS310 ] Animation C1 ENERGY= 376.6 kJ/mol
Energy+ZPE= 378.3 kJ/mol ZPE= 0.0465479
CONNECTIONS:
o EQ37 o EQ69
[ TS311 ] Animation C1 ENERGY= 597.5 kJ/mol
Energy+ZPE= 600.0 kJ/mol ZPE= 0.0468481
CONNECTIONS:
o EQ37 o EQ82
[ TS312 ] Animation C1 ENERGY= 605.2 kJ/mol
Energy+ZPE= 607.1 kJ/mol ZPE= 0.0466144
CONNECTIONS:
o EQ37 o EQ91
[ TS313 ] Animation C1 ENERGY= 286.1 kJ/mol
Energy+ZPE= 278.0 kJ/mol ZPE= 0.0428221
CONNECTIONS:
o EQ37 o DDC66
[ TS314 ] Animation Cs ENERGY= 295.7 kJ/mol
Energy+ZPE= 290.3 kJ/mol ZPE= 0.0438442
CONNECTIONS:
o EQ37 o DDC67
[ TS315 ] Animation Cs ENERGY= 308.6 kJ/mol
Energy+ZPE= 306.4 kJ/mol ZPE= 0.0450460
CONNECTIONS:
o EQ37 o DDC68
[ TS316 ] Animation Cs ENERGY= 236.5 kJ/mol
Energy+ZPE= 246.9 kJ/mol ZPE= 0.0498562
CONNECTIONS:
o EQ38 o EQ38
[ TS317 ] Animation C1 ENERGY= 274.2 kJ/mol
Energy+ZPE= 271.4 kJ/mol ZPE= 0.0448501
CONNECTIONS:
o EQ38 o EQ42
[ TS318 ] Animation C1 ENERGY= 331.6 kJ/mol
Energy+ZPE= 336.8 kJ/mol ZPE= 0.0478768
CONNECTIONS:
o EQ38 o EQ51
[ TS319 ] Animation C1 ENERGY= 478.9 kJ/mol
Energy+ZPE= 488.3 kJ/mol ZPE= 0.0494742
CONNECTIONS:
o EQ38 o EQ68
[ TS320 ] Animation C1 ENERGY= 470.1 kJ/mol
Energy+ZPE= 481.1 kJ/mol ZPE= 0.0501067
CONNECTIONS:
o EQ38 o EQ71
[ TS321 ] Animation C1 ENERGY= 509.5 kJ/mol
Energy+ZPE= 517.4 kJ/mol ZPE= 0.0488930
CONNECTIONS:
o EQ38 o EQ74
[ TS322 ] Animation C1 ENERGY= 634.5 kJ/mol
Energy+ZPE= 630.5 kJ/mol ZPE= 0.0443680
CONNECTIONS:
o EQ38 o EQ75
[ TS323 ] Animation C1 ENERGY= 257.8 kJ/mol
Energy+ZPE= 261.7 kJ/mol ZPE= 0.0473995
CONNECTIONS:
o EQ38 o DDC69
[ TS324 ] Animation C1 ENERGY= 399.8 kJ/mol
Energy+ZPE= 395.6 kJ/mol ZPE= 0.0442884
CONNECTIONS:
o EQ38 o DDC70
[ TS325 ] Animation C1 ENERGY= 403.0 kJ/mol
Energy+ZPE= 396.3 kJ/mol ZPE= 0.0433444
CONNECTIONS:
o EQ38 o DDC71
[ TS326 ] Animation C1 ENERGY= 460.3 kJ/mol
Energy+ZPE= 463.8 kJ/mol ZPE= 0.0472472
CONNECTIONS:
o EQ38 o DDC72
[ TS327 ] Animation Cs ENERGY= 252.7 kJ/mol
Energy+ZPE= 254.8 kJ/mol ZPE= 0.0467053
CONNECTIONS:
o EQ39 o EQ40
[ TS328 ] Animation C1 ENERGY= 618.6 kJ/mol
Energy+ZPE= 621.4 kJ/mol ZPE= 0.0469605
CONNECTIONS:
o EQ39 o EQ92
[ TS329 ] Animation C1 ENERGY= 270.3 kJ/mol
Energy+ZPE= 274.4 kJ/mol ZPE= 0.0474699
CONNECTIONS:
o EQ39 o DDC73
[ TS330 ] Animation Cs ENERGY= 300.3 kJ/mol
Energy+ZPE= 294.5 kJ/mol ZPE= 0.0437039
CONNECTIONS:
o EQ39 o DDC74
[ TS331 ] Animation Cs ENERGY= 306.3 kJ/mol
Energy+ZPE= 306.2 kJ/mol ZPE= 0.0458600
CONNECTIONS:
o EQ39 o DDC75
[ TS332 ] Animation C1 ENERGY= 668.1 kJ/mol
Energy+ZPE= 669.1 kJ/mol ZPE= 0.0462720
CONNECTIONS:
o EQ39 o DDC76
[ TS333 ] Animation C1 ENERGY= 263.7 kJ/mol
Energy+ZPE= 270.2 kJ/mol ZPE= 0.0483691
CONNECTIONS:
o EQ40 o EQ47
[ TS334 ] Animation C1 ENERGY= 417.9 kJ/mol
Energy+ZPE= 412.3 kJ/mol ZPE= 0.0437548
CONNECTIONS:
o EQ40 o EQ51
[ TS335 ] Animation C1 ENERGY= 562.1 kJ/mol
Energy+ZPE= 567.5 kJ/mol ZPE= 0.0479642
CONNECTIONS:
o EQ40 o EQ89
[ TS336 ] Animation C1 ENERGY= 267.9 kJ/mol
Energy+ZPE= 273.3 kJ/mol ZPE= 0.0479465
CONNECTIONS:
o EQ41 o EQ44
[ TS337 ] Animation C1 ENERGY= 276.3 kJ/mol
Energy+ZPE= 281.0 kJ/mol ZPE= 0.0476982
CONNECTIONS:
o EQ41 o EQ44
[ TS338 ] Animation C1 ENERGY= 279.3 kJ/mol
Energy+ZPE= 281.4 kJ/mol ZPE= 0.0466989
CONNECTIONS:
o EQ41 o EQ48
[ TS339 ] Animation C1 ENERGY= 289.9 kJ/mol
Energy+ZPE= 293.7 kJ/mol ZPE= 0.0473574
CONNECTIONS:
o EQ41 o EQ48
[ TS340 ] Animation C1 ENERGY= 302.4 kJ/mol
Energy+ZPE= 306.4 kJ/mol ZPE= 0.0474334
CONNECTIONS:
o EQ41 o EQ48
[ TS341 ] Animation C1 ENERGY= 561.3 kJ/mol
Energy+ZPE= 563.8 kJ/mol ZPE= 0.0468558
CONNECTIONS:
o EQ41 o EQ77
[ TS342 ] Animation C1 ENERGY= 557.4 kJ/mol
Energy+ZPE= 558.2 kJ/mol ZPE= 0.0462027
CONNECTIONS:
o EQ41 o EQ81
[ TS343 ] Animation C1 ENERGY= 269.5 kJ/mol
Energy+ZPE= 262.3 kJ/mol ZPE= 0.0431497
CONNECTIONS:
o EQ41 o DDC77
[ TS344 ] Animation C1 ENERGY= 486.4 kJ/mol
Energy+ZPE= 474.8 kJ/mol ZPE= 0.0414782
CONNECTIONS:
o EQ41 o DDC78
[ TS345 ] Animation Cs ENERGY= 309.4 kJ/mol
Energy+ZPE= 313.9 kJ/mol ZPE= 0.0476318
CONNECTIONS:
o EQ42 o EQ42
[ TS346 ] Animation C1 ENERGY= 252.9 kJ/mol
Energy+ZPE= 257.7 kJ/mol ZPE= 0.0477471
CONNECTIONS:
o EQ42 o EQ44
[ TS347 ] Animation C1 ENERGY= 292.9 kJ/mol
Energy+ZPE= 295.5 kJ/mol ZPE= 0.0469051
CONNECTIONS:
o EQ42 o EQ44
[ TS348 ] Animation C1 ENERGY= 312.8 kJ/mol
Energy+ZPE= 316.3 kJ/mol ZPE= 0.0472393
CONNECTIONS:
o EQ42 o EQ44
[ TS349 ] Animation C1 ENERGY= 270.1 kJ/mol
Energy+ZPE= 276.6 kJ/mol ZPE= 0.0483796
CONNECTIONS:
o EQ42 o EQ48
[ TS350 ] Animation C1 ENERGY= 666.1 kJ/mol
Energy+ZPE= 662.7 kJ/mol ZPE= 0.0446132
CONNECTIONS:
o EQ42 o EQ82
[ TS351 ] Animation C1 ENERGY= 359.8 kJ/mol
Energy+ZPE= 351.2 kJ/mol ZPE= 0.0426192
CONNECTIONS:
o EQ42 o DDC79
[ TS352 ] Animation C1 ENERGY= 370.6 kJ/mol
Energy+ZPE= 364.8 kJ/mol ZPE= 0.0436785
CONNECTIONS:
o EQ42 o DDC80
[ TS353 ] Animation Cs ENERGY= 247.1 kJ/mol
Energy+ZPE= 245.6 kJ/mol ZPE= 0.0453307
CONNECTIONS:
o EQ43 o DDC81
[ TS354 ] Animation C1 ENERGY= 294.1 kJ/mol
Energy+ZPE= 297.2 kJ/mol ZPE= 0.0470764
CONNECTIONS:
o EQ43 o DDC82
[ TS355 ] Animation C1 ENERGY= 635.0 kJ/mol
Energy+ZPE= 633.2 kJ/mol ZPE= 0.0452070
CONNECTIONS:
o EQ44 o EQ71
[ TS356 ] Animation C1 ENERGY= 333.4 kJ/mol
Energy+ZPE= 327.9 kJ/mol ZPE= 0.0438094
CONNECTIONS:
o EQ44 o DDC83
[ TS357 ] Animation C1 ENERGY= 368.3 kJ/mol
Energy+ZPE= 365.9 kJ/mol ZPE= 0.0449749
CONNECTIONS:
o EQ44 o DDC84
[ TS358 ] Animation C1 ENERGY= 310.2 kJ/mol
Energy+ZPE= 316.1 kJ/mol ZPE= 0.0481371
CONNECTIONS:
o EQ45 o EQ46
[ TS359 ] Animation C1 ENERGY= 443.8 kJ/mol
Energy+ZPE= 434.7 kJ/mol ZPE= 0.0424476
CONNECTIONS:
o EQ45 o EQ47
[ TS360 ] Animation C1 ENERGY= 367.1 kJ/mol
Energy+ZPE= 374.9 kJ/mol ZPE= 0.0488722
CONNECTIONS:
o EQ45 o EQ66
[ TS361 ] Animation C1 ENERGY= 571.3 kJ/mol
Energy+ZPE= 577.6 kJ/mol ZPE= 0.0482916
CONNECTIONS:
o EQ45 o EQ66
[ TS362 ] Animation C1 ENERGY= 477.7 kJ/mol
Energy+ZPE= 487.8 kJ/mol ZPE= 0.0497665
CONNECTIONS:
o EQ45 o EQ71
[ TS363 ] Animation C1 ENERGY= 470.9 kJ/mol
Energy+ZPE= 478.6 kJ/mol ZPE= 0.0488309
CONNECTIONS:
o EQ45 o EQ85
[ TS364 ] Animation C1 ENERGY= 584.2 kJ/mol
Energy+ZPE= 581.0 kJ/mol ZPE= 0.0446964
CONNECTIONS:
o EQ45 o EQ86
[ TS365 ] Animation C1 ENERGY= 609.6 kJ/mol
Energy+ZPE= 605.8 kJ/mol ZPE= 0.0444663
CONNECTIONS:
o EQ45 o EQ87
[ TS366 ] Animation C1 ENERGY= 308.2 kJ/mol
Energy+ZPE= 310.5 kJ/mol ZPE= 0.0467823
CONNECTIONS:
o EQ45 o DDC85
[ TS367 ] Animation C1 ENERGY= 371.5 kJ/mol
Energy+ZPE= 374.4 kJ/mol ZPE= 0.0470239
CONNECTIONS:
o EQ45 o DDC86
[ TS368 ] Animation C1 ENERGY= 613.7 kJ/mol
Energy+ZPE= 607.3 kJ/mol ZPE= 0.0434458
CONNECTIONS:
o EQ45 o DDC87
[ TS369 ] Animation C1 ENERGY= 788.6 kJ/mol
Energy+ZPE= 784.8 kJ/mol ZPE= 0.0444482
CONNECTIONS:
o EQ45 o DDC88
[ TS370 ] Animation C1 ENERGY= 369.8 kJ/mol
Energy+ZPE= 376.9 kJ/mol ZPE= 0.0485905
CONNECTIONS:
o EQ46 o EQ64
[ TS371 ] Animation C1 ENERGY= 562.4 kJ/mol
Energy+ZPE= 569.7 kJ/mol ZPE= 0.0486671
CONNECTIONS:
o EQ46 o EQ64
[ TS372 ] Animation C1 ENERGY= 482.2 kJ/mol
Energy+ZPE= 492.8 kJ/mol ZPE= 0.0499201
CONNECTIONS:
o EQ46 o EQ68
[ TS373 ] Animation C1 ENERGY= 294.6 kJ/mol
Energy+ZPE= 298.2 kJ/mol ZPE= 0.0472628
CONNECTIONS:
o EQ46 o DDC89
[ TS374 ] Animation Cs ENERGY= 261.3 kJ/mol
Energy+ZPE= 267.6 kJ/mol ZPE= 0.0482843
CONNECTIONS:
o EQ47 o EQ47
[ TS375 ] Animation C1 ENERGY= 351.1 kJ/mol
Energy+ZPE= 339.2 kJ/mol ZPE= 0.0413858
CONNECTIONS:
o EQ47 o DDC90
[ TS376 ] Animation C1 ENERGY= 491.7 kJ/mol
Energy+ZPE= 482.7 kJ/mol ZPE= 0.0424734
CONNECTIONS:
o EQ47 o DDC91
[ TS377 ] Animation C1 ENERGY= 580.3 kJ/mol
Energy+ZPE= 582.4 kJ/mol ZPE= 0.0466998
CONNECTIONS:
o EQ48 o EQ84
[ TS378 ] Animation C1 ENERGY= 296.6 kJ/mol
Energy+ZPE= 287.4 kJ/mol ZPE= 0.0423887
CONNECTIONS:
o EQ48 o DDC92
[ TS379 ] Animation C1 ENERGY= 342.4 kJ/mol
Energy+ZPE= 322.2 kJ/mol ZPE= 0.0382142
CONNECTIONS:
o EQ48 o DDC93
[ TS380 ] Animation C1 ENERGY= 518.6 kJ/mol
Energy+ZPE= 504.6 kJ/mol ZPE= 0.0405660
CONNECTIONS:
o EQ48 o DDC94
[ TS381 ] Animation C1 ENERGY= 271.8 kJ/mol
Energy+ZPE= 274.8 kJ/mol ZPE= 0.0470269
CONNECTIONS:
o EQ49 o DDC95
[ TS382 ] Animation Cs ENERGY= 300.9 kJ/mol
Energy+ZPE= 296.0 kJ/mol ZPE= 0.0440345
CONNECTIONS:
o EQ49 o DDC96
[ TS383 ] Animation C1 ENERGY= 306.8 kJ/mol
Energy+ZPE= 288.0 kJ/mol ZPE= 0.0387270
CONNECTIONS:
o EQ49 o DDC97
[ TS384 ] Animation C1 ENERGY= 278.6 kJ/mol
Energy+ZPE= 288.1 kJ/mol ZPE= 0.0495200
CONNECTIONS:
o EQ50 o EQ52
[ TS385 ] Animation C1 ENERGY= 306.8 kJ/mol
Energy+ZPE= 315.3 kJ/mol ZPE= 0.0491249
CONNECTIONS:
o EQ50 o EQ52
[ TS386 ] Animation C1 ENERGY= 531.5 kJ/mol
Energy+ZPE= 539.3 kJ/mol ZPE= 0.0488633
CONNECTIONS:
o EQ50 o EQ52
[ TS387 ] Animation C1 ENERGY= 421.0 kJ/mol
Energy+ZPE= 424.9 kJ/mol ZPE= 0.0473689
CONNECTIONS:
o EQ50 o EQ56
[ TS388 ] Animation C1 ENERGY= 416.7 kJ/mol
Energy+ZPE= 420.6 kJ/mol ZPE= 0.0473720
CONNECTIONS:
o EQ50 o EQ57
[ TS389 ] Animation C1 ENERGY= 525.8 kJ/mol
Energy+ZPE= 524.0 kJ/mol ZPE= 0.0452029
CONNECTIONS:
o EQ50 o EQ66
[ TS390 ] Animation C1 ENERGY= 524.4 kJ/mol
Energy+ZPE= 517.6 kJ/mol ZPE= 0.0433166
CONNECTIONS:
o EQ50 o EQ72
[ TS391 ] Animation C1 ENERGY= 567.6 kJ/mol
Energy+ZPE= 562.3 kJ/mol ZPE= 0.0438841
CONNECTIONS:
o EQ50 o EQ84
[ TS392 ] Animation C1 ENERGY= 466.2 kJ/mol
Energy+ZPE= 457.4 kJ/mol ZPE= 0.0425505
CONNECTIONS:
o EQ50 o DDC98
[ TS393 ] Animation C1 ENERGY= 523.3 kJ/mol
Energy+ZPE= 528.3 kJ/mol ZPE= 0.0478068
CONNECTIONS:
o EQ51 o EQ68
[ TS394 ] Animation C1 ENERGY= 523.6 kJ/mol
Energy+ZPE= 529.3 kJ/mol ZPE= 0.0480619
CONNECTIONS:
o EQ51 o EQ71
[ TS395 ] Animation Cs ENERGY= 618.0 kJ/mol
Energy+ZPE= 615.7 kJ/mol ZPE= 0.0450412
CONNECTIONS:
o EQ51 o EQ75
[ TS396 ] Animation C1 ENERGY= 517.5 kJ/mol
Energy+ZPE= 525.2 kJ/mol ZPE= 0.0488443
CONNECTIONS:
o EQ51 o EQ82
[ TS397 ] Animation C1 ENERGY= 303.7 kJ/mol
Energy+ZPE= 306.8 kJ/mol ZPE= 0.0470643
CONNECTIONS:
o EQ51 o DDC99
[ TS398 ] Animation C1 ENERGY= 433.3 kJ/mol
Energy+ZPE= 438.7 kJ/mol ZPE= 0.0479460
CONNECTIONS:
o EQ51 o DDC100
[ TS399 ] Animation C1 ENERGY= 486.4 kJ/mol
Energy+ZPE= 464.6 kJ/mol ZPE= 0.0375796
CONNECTIONS:
o EQ51 o DDC101
[ TS400 ] Animation C1 ENERGY= 420.1 kJ/mol
Energy+ZPE= 423.9 kJ/mol ZPE= 0.0473417
CONNECTIONS:
o EQ52 o EQ53
[ TS401 ] Animation C1 ENERGY= 503.3 kJ/mol
Energy+ZPE= 504.6 kJ/mol ZPE= 0.0464113
CONNECTIONS:
o EQ52 o EQ53
[ TS402 ] Animation C1 ENERGY= 435.6 kJ/mol
Energy+ZPE= 438.2 kJ/mol ZPE= 0.0468955
CONNECTIONS:
o EQ52 o EQ63
[ TS403 ] Animation C1 ENERGY= 498.5 kJ/mol
Energy+ZPE= 492.1 kJ/mol ZPE= 0.0434484
CONNECTIONS:
o EQ52 o EQ70
[ TS404 ] Animation C1 ENERGY= 526.5 kJ/mol
Energy+ZPE= 519.4 kJ/mol ZPE= 0.0431828
CONNECTIONS:
o EQ52 o EQ70
[ TS405 ] Animation C1 ENERGY= 559.2 kJ/mol
Energy+ZPE= 554.4 kJ/mol ZPE= 0.0440869
CONNECTIONS:
o EQ52 o EQ77
[ TS406 ] Animation C1 ENERGY= 461.8 kJ/mol
Energy+ZPE= 453.4 kJ/mol ZPE= 0.0427156
CONNECTIONS:
o EQ52 o DDC102
[ TS407 ] Animation C1 ENERGY= 299.7 kJ/mol
Energy+ZPE= 308.6 kJ/mol ZPE= 0.0492969
CONNECTIONS:
o EQ53 o EQ56
[ TS408 ] Animation Cs ENERGY= 544.3 kJ/mol
Energy+ZPE= 550.3 kJ/mol ZPE= 0.0482008
CONNECTIONS:
o EQ53 o EQ57
[ TS409 ] Animation C1 ENERGY= 535.6 kJ/mol
Energy+ZPE= 531.1 kJ/mol ZPE= 0.0442036
CONNECTIONS:
o EQ53 o EQ81
[ TS410 ] Animation C1 ENERGY= 444.4 kJ/mol
Energy+ZPE= 440.4 kJ/mol ZPE= 0.0443754
CONNECTIONS:
o EQ53 o DDC103
[ TS411 ] Animation C1 ENERGY= 665.3 kJ/mol
Energy+ZPE= 656.2 kJ/mol ZPE= 0.0424346
CONNECTIONS:
o EQ53 o DDC104
[ TS412 ] Animation Cs ENERGY= 289.1 kJ/mol
Energy+ZPE= 295.9 kJ/mol ZPE= 0.0484983
CONNECTIONS:
o EQ54 o EQ54
[ TS413 ] Animation Cs ENERGY= 346.1 kJ/mol
Energy+ZPE= 352.5 kJ/mol ZPE= 0.0483221
CONNECTIONS:
o EQ54 o EQ54
[ TS414 ] Animation Cs ENERGY= 368.5 kJ/mol
Energy+ZPE= 375.6 kJ/mol ZPE= 0.0486038
CONNECTIONS:
o EQ54 o EQ54
[ TS415 ] Animation C1 ENERGY= 478.7 kJ/mol
Energy+ZPE= 479.4 kJ/mol ZPE= 0.0461728
CONNECTIONS:
o EQ54 o EQ62
[ TS416 ] Animation C1 ENERGY= 593.8 kJ/mol
Energy+ZPE= 589.8 kJ/mol ZPE= 0.0443908
CONNECTIONS:
o EQ54 o EQ79
[ TS417 ] Animation C1 ENERGY= 586.0 kJ/mol
Energy+ZPE= 591.2 kJ/mol ZPE= 0.0478828
CONNECTIONS:
o EQ54 o EQ88
[ TS418 ] Animation C1 ENERGY= 316.3 kJ/mol
Energy+ZPE= 323.7 kJ/mol ZPE= 0.0487058
CONNECTIONS:
o EQ55 o EQ58
[ TS419 ] Animation C1 ENERGY= 328.1 kJ/mol
Energy+ZPE= 337.7 kJ/mol ZPE= 0.0495558
CONNECTIONS:
o EQ55 o EQ58
[ TS420 ] Animation C1 ENERGY= 329.0 kJ/mol
Energy+ZPE= 338.0 kJ/mol ZPE= 0.0493303
CONNECTIONS:
o EQ55 o EQ58
[ TS421 ] Animation C1 ENERGY= 526.3 kJ/mol
Energy+ZPE= 534.0 kJ/mol ZPE= 0.0488192
CONNECTIONS:
o EQ55 o EQ59
[ TS422 ] Animation C1 ENERGY= 573.3 kJ/mol
Energy+ZPE= 569.6 kJ/mol ZPE= 0.0444797
CONNECTIONS:
o EQ55 o EQ86
[ TS423 ] Animation C1 ENERGY= 698.2 kJ/mol
Energy+ZPE= 694.9 kJ/mol ZPE= 0.0446521
CONNECTIONS:
o EQ55 o EQ86
[ TS424 ] Animation C1 ENERGY= 358.4 kJ/mol
Energy+ZPE= 360.9 kJ/mol ZPE= 0.0468441
CONNECTIONS:
o EQ55 o DDC105
[ TS425 ] Animation C1 ENERGY= 728.1 kJ/mol
Energy+ZPE= 706.4 kJ/mol ZPE= 0.0376201
CONNECTIONS:
o EQ55 o DDC106
[ TS426 ] Animation Cs ENERGY= 294.2 kJ/mol
Energy+ZPE= 303.5 kJ/mol ZPE= 0.0494280
CONNECTIONS:
o EQ56 o EQ56
[ TS427 ] Animation Cs ENERGY= 554.4 kJ/mol
Energy+ZPE= 559.5 kJ/mol ZPE= 0.0478515
CONNECTIONS:
o EQ56 o EQ63
[ TS428 ] Animation Cs ENERGY= 564.9 kJ/mol
Energy+ZPE= 561.2 kJ/mol ZPE= 0.0445055
CONNECTIONS:
o EQ56 o EQ73
[ TS429 ] Animation C1 ENERGY= 557.3 kJ/mol
Energy+ZPE= 551.3 kJ/mol ZPE= 0.0436260
CONNECTIONS:
o EQ56 o EQ81
[ TS430 ] Animation C1 ENERGY= 617.9 kJ/mol
Energy+ZPE= 614.4 kJ/mol ZPE= 0.0445833
CONNECTIONS:
o EQ56 o EQ81
[ TS431 ] Animation C1 ENERGY= 638.8 kJ/mol
Energy+ZPE= 632.4 kJ/mol ZPE= 0.0434450
CONNECTIONS:
o EQ56 o EQ81
[ TS432 ] Animation C1 ENERGY= 720.2 kJ/mol
Energy+ZPE= 712.5 kJ/mol ZPE= 0.0429610
CONNECTIONS:
o EQ56 o EQ81
[ TS433 ] Animation C1 ENERGY= 342.1 kJ/mol
Energy+ZPE= 347.8 kJ/mol ZPE= 0.0480707
CONNECTIONS:
o EQ57 o EQ63
[ TS434 ] Animation Cs ENERGY= 535.4 kJ/mol
Energy+ZPE= 532.7 kJ/mol ZPE= 0.0448613
CONNECTIONS:
o EQ57 o EQ64
[ TS435 ] Animation C1 ENERGY= 461.2 kJ/mol
Energy+ZPE= 450.9 kJ/mol ZPE= 0.0419767
CONNECTIONS:
o EQ57 o DDC107
[ TS436 ] Animation C1 ENERGY= 472.2 kJ/mol
Energy+ZPE= 469.5 kJ/mol ZPE= 0.0448699
CONNECTIONS:
o EQ57 o DDC108
[ TS437 ] Animation C1 ENERGY= 509.2 kJ/mol
Energy+ZPE= 498.3 kJ/mol ZPE= 0.0417562
CONNECTIONS:
o EQ57 o DDC109
[ TS438 ] Animation C1 ENERGY= 529.1 kJ/mol
Energy+ZPE= 517.7 kJ/mol ZPE= 0.0415429
CONNECTIONS:
o EQ57 o DDC110
[ TS439 ] Animation Cs ENERGY= 627.1 kJ/mol
Energy+ZPE= 617.5 kJ/mol ZPE= 0.0422566
CONNECTIONS:
o EQ57 o DDC111
[ TS440 ] Animation C1 ENERGY= 469.7 kJ/mol
Energy+ZPE= 471.4 kJ/mol ZPE= 0.0465404
CONNECTIONS:
o EQ58 o EQ61
[ TS441 ] Animation C1 ENERGY= 406.7 kJ/mol
Energy+ZPE= 409.9 kJ/mol ZPE= 0.0471365
CONNECTIONS:
o EQ58 o EQ67
[ TS442 ] Animation C1 ENERGY= 662.9 kJ/mol
Energy+ZPE= 656.5 kJ/mol ZPE= 0.0434681
CONNECTIONS:
o EQ58 o EQ80
[ TS443 ] Animation C1 ENERGY= 590.3 kJ/mol
Energy+ZPE= 585.7 kJ/mol ZPE= 0.0441570
CONNECTIONS:
o EQ58 o EQ87
[ TS444 ] Animation C1 ENERGY= 732.8 kJ/mol
Energy+ZPE= 727.1 kJ/mol ZPE= 0.0437191
CONNECTIONS:
o EQ58 o EQ91
[ TS445 ] Animation C1 ENERGY= 555.2 kJ/mol
Energy+ZPE= 545.4 kJ/mol ZPE= 0.0421780
CONNECTIONS:
o EQ58 o DDC112
[ TS446 ] Animation C1 ENERGY= 339.0 kJ/mol
Energy+ZPE= 347.0 kJ/mol ZPE= 0.0489636
CONNECTIONS:
o EQ59 o EQ62
[ TS447 ] Animation C1 ENERGY= 344.0 kJ/mol
Energy+ZPE= 349.6 kJ/mol ZPE= 0.0480294
CONNECTIONS:
o EQ59 o EQ62
[ TS448 ] Animation C1 ENERGY= 358.2 kJ/mol
Energy+ZPE= 365.6 kJ/mol ZPE= 0.0487252
CONNECTIONS:
o EQ59 o EQ62
[ TS449 ] Animation C1 ENERGY= 415.7 kJ/mol
Energy+ZPE= 419.6 kJ/mol ZPE= 0.0473955
CONNECTIONS:
o EQ59 o EQ65
[ TS450 ] Animation Cs ENERGY= 815.5 kJ/mol
Energy+ZPE= 809.1 kJ/mol ZPE= 0.0434505
CONNECTIONS:
o EQ59 o EQ68
[ TS451 ] Animation C1 ENERGY= 399.7 kJ/mol
Energy+ZPE= 400.9 kJ/mol ZPE= 0.0463751
CONNECTIONS:
o EQ59 o DDC113
[ TS452 ] Animation C1 ENERGY= 506.5 kJ/mol
Energy+ZPE= 499.4 kJ/mol ZPE= 0.0431801
CONNECTIONS:
o EQ59 o DDC114
[ TS453 ] Animation C1 ENERGY= 678.8 kJ/mol
Energy+ZPE= 657.8 kJ/mol ZPE= 0.0378846
CONNECTIONS:
o EQ59 o DDC115
[ TS454 ] Animation C1 ENERGY= 326.0 kJ/mol
Energy+ZPE= 319.4 kJ/mol ZPE= 0.0433838
CONNECTIONS:
o EQ60 o DDC116
[ TS455 ] Animation Cs ENERGY= 345.1 kJ/mol
Energy+ZPE= 352.4 kJ/mol ZPE= 0.0486666
CONNECTIONS:
o EQ61 o EQ61
[ TS456 ] Animation C1 ENERGY= 356.9 kJ/mol
Energy+ZPE= 360.1 kJ/mol ZPE= 0.0471189
CONNECTIONS:
o EQ61 o EQ61
[ TS457 ] Animation Cs ENERGY= 369.3 kJ/mol
Energy+ZPE= 372.5 kJ/mol ZPE= 0.0471068
CONNECTIONS:
o EQ61 o EQ61
[ TS458 ] Animation C1 ENERGY= 504.8 kJ/mol
Energy+ZPE= 502.9 kJ/mol ZPE= 0.0451954
CONNECTIONS:
o EQ61 o EQ67
[ TS459 ] Animation C1 ENERGY= 507.3 kJ/mol
Energy+ZPE= 505.6 kJ/mol ZPE= 0.0452495
CONNECTIONS:
o EQ61 o EQ67
[ TS460 ] Animation C1 ENERGY= 575.5 kJ/mol
Energy+ZPE= 570.4 kJ/mol ZPE= 0.0439712
CONNECTIONS:
o EQ61 o EQ75
[ TS461 ] Animation C1 ENERGY= 604.4 kJ/mol
Energy+ZPE= 608.9 kJ/mol ZPE= 0.0475977
CONNECTIONS:
o EQ61 o EQ88
[ TS462 ] Animation C1 ENERGY= 608.4 kJ/mol
Energy+ZPE= 612.9 kJ/mol ZPE= 0.0476100
CONNECTIONS:
o EQ61 o EQ90
[ TS463 ] Animation Cs ENERGY= 367.9 kJ/mol
Energy+ZPE= 368.0 kJ/mol ZPE= 0.0459336
CONNECTIONS:
o EQ61 o DDC117
[ TS464 ] Animation Cs ENERGY= 536.1 kJ/mol
Energy+ZPE= 536.4 kJ/mol ZPE= 0.0460144
CONNECTIONS:
o EQ61 o DDC118
[ TS465 ] Animation C1 ENERGY= 631.4 kJ/mol
Energy+ZPE= 614.6 kJ/mol ZPE= 0.0394901
CONNECTIONS:
o EQ62 o DDC119
[ TS466 ] Animation C1 ENERGY= 577.5 kJ/mol
Energy+ZPE= 561.5 kJ/mol ZPE= 0.0398161
CONNECTIONS:
o EQ63 o DDC120
[ TS467 ] Animation C1 ENERGY= 652.6 kJ/mol
Energy+ZPE= 653.9 kJ/mol ZPE= 0.0463934
CONNECTIONS:
o EQ64 o EQ71
[ TS468 ] Animation C1 ENERGY= 502.9 kJ/mol
Energy+ZPE= 503.1 kJ/mol ZPE= 0.0459774
CONNECTIONS:
o EQ64 o EQ77
[ TS469 ] Animation C1 ENERGY= 378.3 kJ/mol
Energy+ZPE= 381.6 kJ/mol ZPE= 0.0471472
CONNECTIONS:
o EQ64 o DDC121
[ TS470 ] Animation Cs ENERGY= 357.8 kJ/mol
Energy+ZPE= 361.5 kJ/mol ZPE= 0.0473060
CONNECTIONS:
o EQ65 o EQ65
[ TS471 ] Animation Cs ENERGY= 360.8 kJ/mol
Energy+ZPE= 367.2 kJ/mol ZPE= 0.0483489
CONNECTIONS:
o EQ65 o EQ65
[ TS472 ] Animation Cs ENERGY= 367.1 kJ/mol
Energy+ZPE= 371.8 kJ/mol ZPE= 0.0477037
CONNECTIONS:
o EQ65 o EQ65
[ TS473 ] Animation C1 ENERGY= 447.4 kJ/mol
Energy+ZPE= 447.0 kJ/mol ZPE= 0.0457653
CONNECTIONS:
o EQ65 o EQ67
[ TS474 ] Animation C1 ENERGY= 632.3 kJ/mol
Energy+ZPE= 624.1 kJ/mol ZPE= 0.0427916
CONNECTIONS:
o EQ65 o EQ85
[ TS475 ] Animation C1 ENERGY= 766.3 kJ/mol
Energy+ZPE= 758.6 kJ/mol ZPE= 0.0429827
CONNECTIONS:
o EQ65 o EQ95
[ TS476 ] Animation Cs ENERGY= 382.5 kJ/mol
Energy+ZPE= 381.0 kJ/mol ZPE= 0.0453255
CONNECTIONS:
o EQ65 o DDC122
[ TS477 ] Animation C1 ENERGY= 515.6 kJ/mol
Energy+ZPE= 514.7 kJ/mol ZPE= 0.0455584
CONNECTIONS:
o EQ66 o EQ81
[ TS478 ] Animation C1 ENERGY= 360.8 kJ/mol
Energy+ZPE= 370.2 kJ/mol ZPE= 0.0494845
CONNECTIONS:
o EQ66 o DDC123
[ TS479 ] Animation C1 ENERGY= 580.1 kJ/mol
Energy+ZPE= 585.7 kJ/mol ZPE= 0.0480409
CONNECTIONS:
o EQ66 o DDC124
[ TS480 ] Animation Cs ENERGY= 362.0 kJ/mol
Energy+ZPE= 366.1 kJ/mol ZPE= 0.0474506
CONNECTIONS:
o EQ67 o EQ67
[ TS481 ] Animation Cs ENERGY= 369.4 kJ/mol
Energy+ZPE= 376.5 kJ/mol ZPE= 0.0486108
CONNECTIONS:
o EQ67 o EQ67
[ TS482 ] Animation Cs ENERGY= 381.7 kJ/mol
Energy+ZPE= 386.8 kJ/mol ZPE= 0.0478457
CONNECTIONS:
o EQ67 o EQ67
[ TS483 ] Animation C1 ENERGY= 404.4 kJ/mol
Energy+ZPE= 403.1 kJ/mol ZPE= 0.0454206
CONNECTIONS:
o EQ67 o DDC125
[ TS484 ] Animation Cs ENERGY= 776.5 kJ/mol
Energy+ZPE= 771.0 kJ/mol ZPE= 0.0438184
CONNECTIONS:
o EQ67 o DDC126
[ TS485 ] Animation C1 ENERGY= 509.1 kJ/mol
Energy+ZPE= 517.2 kJ/mol ZPE= 0.0489717
CONNECTIONS:
o EQ68 o EQ69
[ TS486 ] Animation C1 ENERGY= 488.3 kJ/mol
Energy+ZPE= 499.8 kJ/mol ZPE= 0.0502901
CONNECTIONS:
o EQ68 o EQ71
[ TS487 ] Animation C1 ENERGY= 562.2 kJ/mol
Energy+ZPE= 566.0 kJ/mol ZPE= 0.0473387
CONNECTIONS:
o EQ68 o EQ75
[ TS488 ] Animation Cs ENERGY= 476.7 kJ/mol
Energy+ZPE= 486.3 kJ/mol ZPE= 0.0495739
CONNECTIONS:
o EQ68 o EQ78
[ TS489 ] Animation C1 ENERGY= 678.3 kJ/mol
Energy+ZPE= 677.0 kJ/mol ZPE= 0.0454175
CONNECTIONS:
o EQ68 o EQ90
[ TS490 ] Animation C1 ENERGY= 789.5 kJ/mol
Energy+ZPE= 788.2 kJ/mol ZPE= 0.0453933
CONNECTIONS:
o EQ68 o DDC127
[ TS491 ] Animation C1 ENERGY= 561.9 kJ/mol
Energy+ZPE= 565.4 kJ/mol ZPE= 0.0472248
CONNECTIONS:
o EQ69 o EQ71
[ TS492 ] Animation C1 ENERGY= 517.1 kJ/mol
Energy+ZPE= 518.7 kJ/mol ZPE= 0.0465227
CONNECTIONS:
o EQ69 o DDC128
[ TS493 ] Animation C1 ENERGY= 393.1 kJ/mol
Energy+ZPE= 396.7 kJ/mol ZPE= 0.0472804
CONNECTIONS:
o EQ70 o EQ72
[ TS494 ] Animation C1 ENERGY= 442.8 kJ/mol
Energy+ZPE= 444.1 kJ/mol ZPE= 0.0464067
CONNECTIONS:
o EQ70 o EQ72
[ TS495 ] Animation C1 ENERGY= 392.5 kJ/mol
Energy+ZPE= 393.3 kJ/mol ZPE= 0.0461967
CONNECTIONS:
o EQ70 o DDC129
[ TS496 ] Animation C1 ENERGY= 403.7 kJ/mol
Energy+ZPE= 418.3 kJ/mol ZPE= 0.0514463
CONNECTIONS:
o EQ71 o EQ74
[ TS497 ] Animation C1 ENERGY= 490.6 kJ/mol
Energy+ZPE= 500.8 kJ/mol ZPE= 0.0497690
CONNECTIONS:
o EQ71 o EQ74
[ TS498 ] Animation C1 ENERGY= 521.4 kJ/mol
Energy+ZPE= 531.7 kJ/mol ZPE= 0.0498066
CONNECTIONS:
o EQ71 o EQ82
[ TS499 ] Animation C1 ENERGY= 493.5 kJ/mol
Energy+ZPE= 500.9 kJ/mol ZPE= 0.0487304
CONNECTIONS:
o EQ71 o DDC130
[ TS500 ] Animation C1 ENERGY= 527.4 kJ/mol
Energy+ZPE= 533.4 kJ/mol ZPE= 0.0482002
CONNECTIONS:
o EQ71 o DDC131
[ TS501 ] Animation C1 ENERGY= 539.7 kJ/mol
Energy+ZPE= 547.4 kJ/mol ZPE= 0.0488200
CONNECTIONS:
o EQ71 o DDC132
[ TS502 ] Animation C1 ENERGY= 393.9 kJ/mol
Energy+ZPE= 394.0 kJ/mol ZPE= 0.0459577
CONNECTIONS:
o EQ72 o DDC133
[ TS503 ] Animation C1 ENERGY= 401.2 kJ/mol
Energy+ZPE= 408.8 kJ/mol ZPE= 0.0487888
CONNECTIONS:
o EQ73 o DDC134
[ TS504 ] Animation C1 ENERGY= 615.9 kJ/mol
Energy+ZPE= 619.2 kJ/mol ZPE= 0.0471583
CONNECTIONS:
o EQ73 o DDC135
[ TS505 ] Animation C1 ENERGY= 537.3 kJ/mol
Energy+ZPE= 543.9 kJ/mol ZPE= 0.0484162
CONNECTIONS:
o EQ74 o EQ75
[ TS506 ] Animation C1 ENERGY= 542.7 kJ/mol
Energy+ZPE= 551.7 kJ/mol ZPE= 0.0493409
CONNECTIONS:
o EQ74 o EQ78
[ TS507 ] Animation C1 ENERGY= 580.3 kJ/mol
Energy+ZPE= 581.1 kJ/mol ZPE= 0.0462221
CONNECTIONS:
o EQ74 o EQ79
[ TS508 ] Animation C1 ENERGY= 542.4 kJ/mol
Energy+ZPE= 547.3 kJ/mol ZPE= 0.0477726
CONNECTIONS:
o EQ74 o EQ80
[ TS509 ] Animation C1 ENERGY= 676.5 kJ/mol
Energy+ZPE= 675.0 kJ/mol ZPE= 0.0453350
CONNECTIONS:
o EQ74 o EQ88
[ TS510 ] Animation C1 ENERGY= 536.5 kJ/mol
Energy+ZPE= 541.1 kJ/mol ZPE= 0.0476662
CONNECTIONS:
o EQ74 o DDC136
[ TS511 ] Animation Cs ENERGY= 411.7 kJ/mol
Energy+ZPE= 416.7 kJ/mol ZPE= 0.0478193
CONNECTIONS:
o EQ75 o EQ75
[ TS512 ] Animation C1 ENERGY= 413.3 kJ/mol
Energy+ZPE= 416.6 kJ/mol ZPE= 0.0471687
CONNECTIONS:
o EQ75 o DDC137
[ TS513 ] Animation C1 ENERGY= 425.0 kJ/mol
Energy+ZPE= 427.1 kJ/mol ZPE= 0.0466903
CONNECTIONS:
o EQ75 o DDC138
[ TS514 ] Animation C1 ENERGY= 412.3 kJ/mol
Energy+ZPE= 402.6 kJ/mol ZPE= 0.0422161
CONNECTIONS:
o EQ76 o DDC139
[ TS515 ] Animation C1 ENERGY= 416.6 kJ/mol
Energy+ZPE= 412.5 kJ/mol ZPE= 0.0443442
CONNECTIONS:
o EQ76 o DDC140
[ TS516 ] Animation Cs ENERGY= 578.0 kJ/mol
Energy+ZPE= 574.2 kJ/mol ZPE= 0.0444422
CONNECTIONS:
o EQ77 o EQ77
[ TS517 ] Animation C1 ENERGY= 595.3 kJ/mol
Energy+ZPE= 598.6 kJ/mol ZPE= 0.0471670
CONNECTIONS:
o EQ77 o EQ81
[ TS518 ] Animation C1 ENERGY= 450.0 kJ/mol
Energy+ZPE= 454.7 kJ/mol ZPE= 0.0476861
CONNECTIONS:
o EQ77 o EQ84
[ TS519 ] Animation C1 ENERGY= 453.4 kJ/mol
Energy+ZPE= 457.5 kJ/mol ZPE= 0.0474627
CONNECTIONS:
o EQ77 o EQ84
[ TS520 ] Animation C1 ENERGY= 492.1 kJ/mol
Energy+ZPE= 488.9 kJ/mol ZPE= 0.0446685
CONNECTIONS:
o EQ77 o DDC141
[ TS521 ] Animation C1 ENERGY= 515.4 kJ/mol
Energy+ZPE= 509.6 kJ/mol ZPE= 0.0437000
CONNECTIONS:
o EQ77 o DDC142
[ TS522 ] Animation C1 ENERGY= 558.3 kJ/mol
Energy+ZPE= 561.9 kJ/mol ZPE= 0.0472645
CONNECTIONS:
o EQ78 o EQ79
[ TS523 ] Animation Cs ENERGY= 437.9 kJ/mol
Energy+ZPE= 450.3 kJ/mol ZPE= 0.0506148
CONNECTIONS:
o EQ78 o EQ82
[ TS524 ] Animation C1 ENERGY= 576.2 kJ/mol
Energy+ZPE= 579.8 kJ/mol ZPE= 0.0472851
CONNECTIONS:
o EQ78 o DDC143
[ TS525 ] Animation Cs ENERGY= 590.7 kJ/mol
Energy+ZPE= 581.3 kJ/mol ZPE= 0.0423111
CONNECTIONS:
o EQ78 o DDC144
[ TS526 ] Animation C1 ENERGY= 439.3 kJ/mol
Energy+ZPE= 442.1 kJ/mol ZPE= 0.0469534
CONNECTIONS:
o EQ79 o DDC145
[ TS527 ] Animation C1 ENERGY= 475.3 kJ/mol
Energy+ZPE= 475.6 kJ/mol ZPE= 0.0460102
CONNECTIONS:
o EQ79 o DDC146
[ TS528 ] Animation Cs ENERGY= 434.0 kJ/mol
Energy+ZPE= 438.9 kJ/mol ZPE= 0.0477566
CONNECTIONS:
o EQ80 o EQ80
[ TS529 ] Animation C1 ENERGY= 433.2 kJ/mol
Energy+ZPE= 433.5 kJ/mol ZPE= 0.0460251
CONNECTIONS:
o EQ80 o DDC147
[ TS530 ] Animation C1 ENERGY= 494.4 kJ/mol
Energy+ZPE= 492.3 kJ/mol ZPE= 0.0451066
CONNECTIONS:
o EQ80 o DDC148
[ TS531 ] Animation C1 ENERGY= 499.3 kJ/mol
Energy+ZPE= 505.5 kJ/mol ZPE= 0.0482454
CONNECTIONS:
o EQ80 o DDC149
[ TS532 ] Animation C1 ENERGY= 514.7 kJ/mol
Energy+ZPE= 517.7 kJ/mol ZPE= 0.0470279
CONNECTIONS:
o EQ80 o DDC150
[ TS533 ] Animation Cs ENERGY= 599.9 kJ/mol
Energy+ZPE= 595.9 kJ/mol ZPE= 0.0443688
CONNECTIONS:
o EQ81 o EQ81
[ TS534 ] Animation C1 ENERGY= 621.5 kJ/mol
Energy+ZPE= 616.9 kJ/mol ZPE= 0.0441396
CONNECTIONS:
o EQ81 o EQ81
[ TS535 ] Animation C1 ENERGY= 516.0 kJ/mol
Energy+ZPE= 511.8 kJ/mol ZPE= 0.0442963
CONNECTIONS:
o EQ81 o DDC151
[ TS536 ] Animation C1 ENERGY= 517.2 kJ/mol
Energy+ZPE= 512.7 kJ/mol ZPE= 0.0441883
CONNECTIONS:
o EQ81 o DDC152
[ TS537 ] Animation C1 ENERGY= 621.0 kJ/mol
Energy+ZPE= 599.2 kJ/mol ZPE= 0.0376035
CONNECTIONS:
o EQ81 o DDC153
[ TS538 ] Animation C1 ENERGY= 735.3 kJ/mol
Energy+ZPE= 713.7 kJ/mol ZPE= 0.0376818
CONNECTIONS:
o EQ81 o DDC154
[ TS539 ] Animation C1 ENERGY= 523.9 kJ/mol
Energy+ZPE= 530.3 kJ/mol ZPE= 0.0483217
CONNECTIONS:
o EQ82 o DDC155
[ TS540 ] Animation C1 ENERGY= 442.0 kJ/mol
Energy+ZPE= 433.5 kJ/mol ZPE= 0.0426754
CONNECTIONS:
o EQ83 o DDC156
[ TS541 ] Animation C1 ENERGY= 503.0 kJ/mol
Energy+ZPE= 499.6 kJ/mol ZPE= 0.0445949
CONNECTIONS:
o EQ84 o DDC157
[ TS542 ] Animation C1 ENERGY= 522.6 kJ/mol
Energy+ZPE= 516.1 kJ/mol ZPE= 0.0434176
CONNECTIONS:
o EQ84 o DDC158
[ TS543 ] Animation Cs ENERGY= 471.7 kJ/mol
Energy+ZPE= 472.9 kJ/mol ZPE= 0.0463515
CONNECTIONS:
o EQ85 o EQ85
[ TS544 ] Animation C1 ENERGY= 444.9 kJ/mol
Energy+ZPE= 444.5 kJ/mol ZPE= 0.0457304
CONNECTIONS:
o EQ85 o DDC159
[ TS545 ] Animation C1 ENERGY= 509.4 kJ/mol
Energy+ZPE= 505.5 kJ/mol ZPE= 0.0444055
CONNECTIONS:
o EQ85 o DDC160
[ TS546 ] Animation C1 ENERGY= 466.5 kJ/mol
Energy+ZPE= 475.2 kJ/mol ZPE= 0.0492261
CONNECTIONS:
o EQ86 o EQ87
[ TS547 ] Animation C1 ENERGY= 490.5 kJ/mol
Energy+ZPE= 495.8 kJ/mol ZPE= 0.0479193
CONNECTIONS:
o EQ86 o EQ87
[ TS548 ] Animation C1 ENERGY= 500.0 kJ/mol
Energy+ZPE= 506.9 kJ/mol ZPE= 0.0485373
CONNECTIONS:
o EQ86 o EQ87
[ TS549 ] Animation C1 ENERGY= 588.9 kJ/mol
Energy+ZPE= 592.7 kJ/mol ZPE= 0.0473487
CONNECTIONS:
o EQ86 o DDC161
[ TS550 ] Animation C1 ENERGY= 598.9 kJ/mol
Energy+ZPE= 602.2 kJ/mol ZPE= 0.0471392
CONNECTIONS:
o EQ86 o DDC162
[ TS551 ] Animation C1 ENERGY= 626.5 kJ/mol
Energy+ZPE= 616.9 kJ/mol ZPE= 0.0422441
CONNECTIONS:
o EQ86 o DDC163
[ TS552 ] Animation C1 ENERGY= 647.3 kJ/mol
Energy+ZPE= 641.7 kJ/mol ZPE= 0.0437771
CONNECTIONS:
o EQ86 o DDC164
[ TS553 ] Animation C1 ENERGY= 647.4 kJ/mol
Energy+ZPE= 642.7 kJ/mol ZPE= 0.0441105
CONNECTIONS:
o EQ87 o EQ92
[ TS554 ] Animation C1 ENERGY= 620.4 kJ/mol
Energy+ZPE= 623.6 kJ/mol ZPE= 0.0471359
CONNECTIONS:
o EQ87 o DDC165
[ TS555 ] Animation Cs ENERGY= 663.6 kJ/mol
Energy+ZPE= 663.0 kJ/mol ZPE= 0.0456656
CONNECTIONS:
o EQ88 o EQ88
[ TS556 ] Animation C1 ENERGY= 576.2 kJ/mol
Energy+ZPE= 585.2 kJ/mol ZPE= 0.0493455
CONNECTIONS:
o EQ88 o EQ90
[ TS557 ] Animation C1 ENERGY= 758.3 kJ/mol
Energy+ZPE= 754.0 kJ/mol ZPE= 0.0442788
CONNECTIONS:
o EQ88 o EQ93
[ TS558 ] Animation C1 ENERGY= 583.3 kJ/mol
Energy+ZPE= 588.0 kJ/mol ZPE= 0.0476733
CONNECTIONS:
o EQ88 o DDC166
[ TS559 ] Animation C1 ENERGY= 585.2 kJ/mol
Energy+ZPE= 589.9 kJ/mol ZPE= 0.0476997
CONNECTIONS:
o EQ88 o DDC167
[ TS560 ] Animation C1 ENERGY= 739.3 kJ/mol
Energy+ZPE= 729.0 kJ/mol ZPE= 0.0419755
CONNECTIONS:
o EQ88 o DDC168
[ TS561 ] Animation C1 ENERGY= 571.3 kJ/mol
Energy+ZPE= 578.6 kJ/mol ZPE= 0.0486902
CONNECTIONS:
o EQ89 o DDC169
[ TS562 ] Animation Cs ENERGY= 671.5 kJ/mol
Energy+ZPE= 676.3 kJ/mol ZPE= 0.0477390
CONNECTIONS:
o EQ90 o EQ90
[ TS563 ] Animation C1 ENERGY= 592.9 kJ/mol
Energy+ZPE= 596.8 kJ/mol ZPE= 0.0473929
CONNECTIONS:
o EQ90 o DDC170
[ TS564 ] Animation C1 ENERGY= 713.1 kJ/mol
Energy+ZPE= 704.0 kJ/mol ZPE= 0.0424465
CONNECTIONS:
o EQ90 o DDC171
[ TS565 ] Animation C1 ENERGY= 608.8 kJ/mol
Energy+ZPE= 612.4 kJ/mol ZPE= 0.0472727
CONNECTIONS:
o EQ91 o EQ92
[ TS566 ] Animation C1 ENERGY= 627.9 kJ/mol
Energy+ZPE= 625.9 kJ/mol ZPE= 0.0451418
CONNECTIONS:
o EQ91 o EQ92
[ TS567 ] Animation C1 ENERGY= 777.3 kJ/mol
Energy+ZPE= 770.7 kJ/mol ZPE= 0.0433838
CONNECTIONS:
o EQ91 o EQ92
[ TS568 ] Animation C1 ENERGY= 802.9 kJ/mol
Energy+ZPE= 790.6 kJ/mol ZPE= 0.0412123
CONNECTIONS:
o EQ91 o DDC172
[ TS569 ] Animation C1 ENERGY= 804.3 kJ/mol
Energy+ZPE= 793.5 kJ/mol ZPE= 0.0417730
CONNECTIONS:
o EQ92 o EQ94
[ TS570 ] Animation Cs ENERGY= 768.5 kJ/mol
Energy+ZPE= 769.9 kJ/mol ZPE= 0.0464226
CONNECTIONS:
o EQ93 o EQ93
[ TS571 ] Animation C1 ENERGY= 726.1 kJ/mol
Energy+ZPE= 726.5 kJ/mol ZPE= 0.0460531
CONNECTIONS:
o EQ93 o DDC173
[ TS572 ] Animation C1 ENERGY= 811.0 kJ/mol
Energy+ZPE= 808.0 kJ/mol ZPE= 0.0447541
CONNECTIONS:
o EQ93 o DDC174
[ TS573 ] Animation Cs ENERGY= 829.2 kJ/mol
Energy+ZPE= 813.2 kJ/mol ZPE= 0.0397975
CONNECTIONS:
o EQ93 o DDC175
[ TS574 ] Animation C1 ENERGY= 774.3 kJ/mol
Energy+ZPE= 766.7 kJ/mol ZPE= 0.0429966
CONNECTIONS:
o EQ94 o EQ95
[ TS575 ] Animation C1 ENERGY= 720.4 kJ/mol
Energy+ZPE= 716.6 kJ/mol ZPE= 0.0444509
CONNECTIONS:
o EQ94 o DDC176
[ TS576 ] Animation Cs ENERGY= 705.7 kJ/mol
Energy+ZPE= 704.0 kJ/mol ZPE= 0.0452625
CONNECTIONS:
o EQ95 o EQ95
[ TS577 ] Animation Cs ENERGY= 716.7 kJ/mol
Energy+ZPE= 716.0 kJ/mol ZPE= 0.0456353
CONNECTIONS:
o EQ95 o EQ95
[ TS578 ] Animation Cs ENERGY= 781.9 kJ/mol
Energy+ZPE= 779.0 kJ/mol ZPE= 0.0448099
CONNECTIONS:
o EQ95 o EQ95
[ TS579 ] Animation Cs ENERGY= 840.0 kJ/mol
Energy+ZPE= 824.3 kJ/mol ZPE= 0.0399119
CONNECTIONS:
o EQ95 o EQ95
[ TS580 ] Animation C1 ENERGY= 748.9 kJ/mol
Energy+ZPE= 740.5 kJ/mol ZPE= 0.0427175
CONNECTIONS:
o EQ95 o DDC177
[ TS581 ] Animation C1 ENERGY= 779.1 kJ/mol
Energy+ZPE= 770.8 kJ/mol ZPE= 0.0427426
CONNECTIONS:
o EQ95 o DDC178
[ TS582 ] Animation C1 ENERGY= 152.8 kJ/mol
Energy+ZPE= 143.4 kJ/mol ZPE= 0.0423200
CONNECTIONS:
o DDC180 o DDC179
[ TS583 ] Animation Cs ENERGY= 178.9 kJ/mol
Energy+ZPE= 170.3 kJ/mol ZPE= 0.0426072
CONNECTIONS:
o DDC182 o DDC181
[ TS584 ] Animation C1 ENERGY= 213.5 kJ/mol
Energy+ZPE= 200.5 kJ/mol ZPE= 0.0409683
CONNECTIONS:
o DDC184 o DDC183
[ TS585 ] Animation Cs ENERGY= 217.8 kJ/mol
Energy+ZPE= 210.1 kJ/mol ZPE= 0.0429506
CONNECTIONS:
o DDC186 o DDC185
[ TS586 ] Animation C1 ENERGY= 219.1 kJ/mol
Energy+ZPE= 204.5 kJ/mol ZPE= 0.0403513
CONNECTIONS:
o DDC188 o DDC187
[ TS587 ] Animation Cs ENERGY= 239.5 kJ/mol
Energy+ZPE= 231.7 kJ/mol ZPE= 0.0429405
CONNECTIONS:
o DDC190 o DDC189
[ TS588 ] Animation C1 ENERGY= 262.6 kJ/mol
Energy+ZPE= 242.7 kJ/mol ZPE= 0.0383078
CONNECTIONS:
o DDC192 o DDC191
[ TS589 ] Animation Cs ENERGY= 275.6 kJ/mol
Energy+ZPE= 258.0 kJ/mol ZPE= 0.0391961
CONNECTIONS:
o DDC194 o DDC193
[ TS590 ] Animation C1 ENERGY= 294.2 kJ/mol
Energy+ZPE= 287.9 kJ/mol ZPE= 0.0435031
CONNECTIONS:
o DDC196 o DDC195
[ TS591 ] Animation C1 ENERGY= 296.3 kJ/mol
Energy+ZPE= 284.3 kJ/mol ZPE= 0.0413222
CONNECTIONS:
o DDC198 o DDC197
[ TS592 ] Animation C1 ENERGY= 303.8 kJ/mol
Energy+ZPE= 288.8 kJ/mol ZPE= 0.0401849
CONNECTIONS:
o DDC200 o DDC199
[ TS593 ] Animation C1 ENERGY= 307.4 kJ/mol
Energy+ZPE= 312.5 kJ/mol ZPE= 0.0478467
CONNECTIONS:
o DDC202 o DDC201
[ TS594 ] Animation C1 ENERGY= 307.4 kJ/mol
Energy+ZPE= 294.6 kJ/mol ZPE= 0.0410365
CONNECTIONS:
o DDC204 o DDC203
[ TS595 ] Animation C1 ENERGY= 307.8 kJ/mol
Energy+ZPE= 312.7 kJ/mol ZPE= 0.0477491
CONNECTIONS:
o DDC206 o DDC205
[ TS596 ] Animation Cs ENERGY= 316.9 kJ/mol
Energy+ZPE= 308.8 kJ/mol ZPE= 0.0428245
CONNECTIONS:
o DDC208 o DDC207
[ TS597 ] Animation Cs ENERGY= 320.8 kJ/mol
Energy+ZPE= 318.1 kJ/mol ZPE= 0.0448612
CONNECTIONS:
o DDC210 o DDC209
[ TS598 ] Animation C1 ENERGY= 325.3 kJ/mol
Energy+ZPE= 317.7 kJ/mol ZPE= 0.0429906
CONNECTIONS:
o DDC212 o DDC211
[ TS599 ] Animation C1 ENERGY= 333.1 kJ/mol
Energy+ZPE= 336.7 kJ/mol ZPE= 0.0472822
CONNECTIONS:
o DDC214 o DDC213
[ TS600 ] Animation C1 ENERGY= 337.6 kJ/mol
Energy+ZPE= 331.3 kJ/mol ZPE= 0.0434853
CONNECTIONS:
o DDC216 o DDC215
[ TS601 ] Animation C1 ENERGY= 342.4 kJ/mol
Energy+ZPE= 337.6 kJ/mol ZPE= 0.0440574
CONNECTIONS:
o DDC218 o DDC217
[ TS602 ] Animation C1 ENERGY= 342.5 kJ/mol
Energy+ZPE= 345.5 kJ/mol ZPE= 0.0470332
CONNECTIONS:
o DDC220 o DDC219
[ TS603 ] Animation Cs ENERGY= 344.8 kJ/mol
Energy+ZPE= 330.4 kJ/mol ZPE= 0.0404180
CONNECTIONS:
o DDC222 o DDC221
[ TS604 ] Animation Cs ENERGY= 353.0 kJ/mol
Energy+ZPE= 344.9 kJ/mol ZPE= 0.0428261
CONNECTIONS:
o DDC224 o DDC223
[ TS605 ] Animation C1 ENERGY= 355.5 kJ/mol
Energy+ZPE= 358.4 kJ/mol ZPE= 0.0469889
CONNECTIONS:
o DDC226 o DDC225
[ TS606 ] Animation C1 ENERGY= 361.7 kJ/mol
Energy+ZPE= 358.6 kJ/mol ZPE= 0.0447350
CONNECTIONS:
o DDC228 o DDC227
[ TS607 ] Animation C1 ENERGY= 382.8 kJ/mol
Energy+ZPE= 371.0 kJ/mol ZPE= 0.0414055
CONNECTIONS:
o DDC230 o DDC229
[ TS608 ] Animation C1 ENERGY= 387.9 kJ/mol
Energy+ZPE= 387.0 kJ/mol ZPE= 0.0455477
CONNECTIONS:
o DDC232 o DDC231
[ TS609 ] Animation C1 ENERGY= 389.6 kJ/mol
Energy+ZPE= 385.8 kJ/mol ZPE= 0.0444660
CONNECTIONS:
o DDC234 o DDC233
[ TS610 ] Animation Cs ENERGY= 393.0 kJ/mol
Energy+ZPE= 392.7 kJ/mol ZPE= 0.0457870
CONNECTIONS:
o DDC236 o DDC235
[ TS611 ] Animation C1 ENERGY= 394.1 kJ/mol
Energy+ZPE= 394.1 kJ/mol ZPE= 0.0458945
CONNECTIONS:
o DDC238 o DDC237
[ TS612 ] Animation C1 ENERGY= 399.5 kJ/mol
Energy+ZPE= 386.4 kJ/mol ZPE= 0.0409224
CONNECTIONS:
o DDC240 o DDC239
[ TS613 ] Animation C1 ENERGY= 403.6 kJ/mol
Energy+ZPE= 375.9 kJ/mol ZPE= 0.0353424
CONNECTIONS:
o DDC242 o DDC241
[ TS614 ] Animation C1 ENERGY= 411.0 kJ/mol
Energy+ZPE= 405.6 kJ/mol ZPE= 0.0438328
CONNECTIONS:
o DDC244 o DDC243
[ TS615 ] Animation C1 ENERGY= 421.7 kJ/mol
Energy+ZPE= 415.4 kJ/mol ZPE= 0.0435001
CONNECTIONS:
o DDC246 o DDC245
[ TS616 ] Animation C1 ENERGY= 423.3 kJ/mol
Energy+ZPE= 418.0 kJ/mol ZPE= 0.0438963
CONNECTIONS:
o DDC248 o DDC247
[ TS617 ] Animation C1 ENERGY= 423.7 kJ/mol
Energy+ZPE= 399.5 kJ/mol ZPE= 0.0366696
CONNECTIONS:
o DDC250 o DDC249
[ TS618 ] Animation C1 ENERGY= 423.7 kJ/mol
Energy+ZPE= 418.7 kJ/mol ZPE= 0.0440020
CONNECTIONS:
o DDC252 o DDC251
[ TS619 ] Animation C1 ENERGY= 426.5 kJ/mol
Energy+ZPE= 410.1 kJ/mol ZPE= 0.0396446
CONNECTIONS:
o DDC254 o DDC253
[ TS620 ] Animation C1 ENERGY= 442.4 kJ/mol
Energy+ZPE= 416.6 kJ/mol ZPE= 0.0360656
CONNECTIONS:
o DDC256 o DDC255
[ TS621 ] Animation C1 ENERGY= 447.2 kJ/mol
Energy+ZPE= 421.5 kJ/mol ZPE= 0.0361300
CONNECTIONS:
o DDC258 o DDC257
[ TS622 ] Animation C1 ENERGY= 459.6 kJ/mol
Energy+ZPE= 466.9 kJ/mol ZPE= 0.0486731
CONNECTIONS:
o DDC260 o DDC259
[ TS623 ] Animation C1 ENERGY= 463.1 kJ/mol
Energy+ZPE= 453.0 kJ/mol ZPE= 0.0420491
CONNECTIONS:
o DDC262 o DDC261
[ TS624 ] Animation C1 ENERGY= 488.0 kJ/mol
Energy+ZPE= 480.1 kJ/mol ZPE= 0.0428929
CONNECTIONS:
o DDC264 o DDC263
[ TS625 ] Animation C1 ENERGY= 510.7 kJ/mol
Energy+ZPE= 508.4 kJ/mol ZPE= 0.0450127
CONNECTIONS:
o DDC266 o DDC265
[ TS626 ] Animation Cs ENERGY= 691.1 kJ/mol
Energy+ZPE= 689.6 kJ/mol ZPE= 0.0453188
CONNECTIONS:
o DDC268 o DDC267
[ TS627 ] Animation Cs ENERGY= 733.0 kJ/mol
Energy+ZPE= 722.9 kJ/mol ZPE= 0.0420646
CONNECTIONS:
o DDC270 o DDC269
[ TS628 ] Animation C1 ENERGY= 749.3 kJ/mol
Energy+ZPE= 740.2 kJ/mol ZPE= 0.0424221
CONNECTIONS:
o DDC272 o DDC271
[ TS629 ] Animation C1 ENERGY= 762.4 kJ/mol
Energy+ZPE= 754.0 kJ/mol ZPE= 0.0426871
CONNECTIONS:
o DDC274 o DDC273
[ TS630 ] Animation Cs ENERGY= 273.7 kJ/mol
Energy+ZPE= 276.1 kJ/mol ZPE= 0.0468185
CONNECTIONS:
o xx o xx
[ DDC0 ]
C1 ENERGY= 32.7 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS13 o EQ1
[ DDC1 ]
Cs ENERGY= -11.5 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS14 o EQ1
[ DDC2 ]
C1 ENERGY= 290.8 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS15 o EQ1
[ DDC3 ]
C1 ENERGY= 284.3 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS26 o EQ2
[ DDC4 ]
Cs ENERGY= 315.4 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS51 o EQ4
[ DDC5 ]
C1 ENERGY= 104.7 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS66 o EQ5
[ DDC6 ]
C1 ENERGY= 22.8 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS67 o EQ5
[ DDC7 ]
C1 ENERGY= 280.8 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS68 o EQ5
[ DDC8 ]
C1 ENERGY= 323.5 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS69 o EQ5
[ DDC9 ]
Cs ENERGY= 35.6 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS84 o EQ7
[ DDC10 ]
C1 ENERGY= 313.3 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS85 o EQ7
[ DDC11 ]
C1 ENERGY= 252.2 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS92 o EQ8
[ DDC12 ]
C1 ENERGY= 330.4 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS93 o EQ8
[ DDC13 ]
C1 ENERGY= 298.0 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS94 o EQ8
[ DDC14 ]
C1 ENERGY= 283.0 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS101 o EQ10
[ DDC15 ]
Cs ENERGY= -11.1 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS109 o EQ11
[ DDC16 ]
C1 ENERGY= -47.3 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS110 o EQ11
[ DDC17 ]
C1 ENERGY= 46.7 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS125 o EQ12
[ DDC18 ]
C1 ENERGY= 39.9 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS126 o EQ12
[ DDC19 ]
C1 ENERGY= 324.4 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS136 o EQ13
[ DDC20 ]
C1 ENERGY= 316.5 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS137 o EQ13
[ DDC21 ]
C1 ENERGY= 167.6 kJ/mol
FRAGMENTS:
HNO N2 H H
CONNECTIONS:
o TS138 o EQ13
[ DDC22 ]
C1 ENERGY= 293.3 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS139 o EQ13
[ DDC23 ]
C1 ENERGY= 203.3 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS148 o EQ14
[ DDC24 ]
C1 ENERGY= 27.6 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS149 o EQ14
[ DDC25 ]
C1 ENERGY= 28.7 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS150 o EQ14
[ DDC26 ]
C1 ENERGY= 46.6 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS164 o EQ15
[ DDC27 ]
C1 ENERGY= 65.0 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS165 o EQ15
[ DDC28 ]
C1 ENERGY= 225.9 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS169 o EQ16
[ DDC29 ]
C1 ENERGY= 46.6 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS170 o EQ16
[ DDC30 ]
C1 ENERGY= 38.7 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS171 o EQ16
[ DDC31 ]
C1 ENERGY= 406.2 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS179 o EQ18
[ DDC32 ]
C1 ENERGY= 406.6 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS180 o EQ18
[ DDC33 ]
C1 ENERGY= 53.5 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS189 o EQ19
[ DDC34 ]
C1 ENERGY= -27.3 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS198 o EQ20
[ DDC35 ]
C1 ENERGY= 257.3 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS199 o EQ20
[ DDC36 ]
C1 ENERGY= 73.0 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS200 o EQ20
[ DDC37 ]
Cs ENERGY= 244.6 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS209 o EQ21
[ DDC38 ]
C1 ENERGY= 295.3 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS210 o EQ21
[ DDC39 ]
C1 ENERGY= 28.2 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS223 o EQ22
[ DDC40 ]
Cs ENERGY= -42.4 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS235 o EQ24
[ DDC41 ]
C1 ENERGY= 389.8 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS236 o EQ24
[ DDC42 ]
C1 ENERGY= 383.4 kJ/mol
FRAGMENTS:
NO HN2 H H
CONNECTIONS:
o TS237 o EQ24
[ DDC43 ]
C1 ENERGY= 44.1 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS240 o EQ25
[ DDC44 ]
Cs ENERGY= -14.6 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS241 o EQ25
[ DDC45 ]
C1 ENERGY= 262.6 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS243 o EQ26
[ DDC46 ]
C1 ENERGY= 129.5 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS244 o EQ26
[ DDC47 ]
C1 ENERGY= 262.4 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS245 o EQ26
[ DDC48 ]
C1 ENERGY= 85.3 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS259 o EQ28
[ DDC49 ]
C1 ENERGY= 406.0 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS266 o EQ29
[ DDC50 ]
C1 ENERGY= 428.8 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS267 o EQ29
[ DDC51 ]
C1 ENERGY= 396.2 kJ/mol
FRAGMENTS:
NO HN2 H H
CONNECTIONS:
o TS268 o EQ29
[ DDC52 ]
C1 ENERGY= -46.7 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS272 o EQ30
[ DDC53 ]
C1 ENERGY= 325.6 kJ/mol
FRAGMENTS:
HN2O H2N
CONNECTIONS:
o TS273 o EQ30
[ DDC54 ]
Cs ENERGY= 61.5 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS274 o EQ30
[ DDC55 ]
C1 ENERGY= 40.8 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS275 o EQ31
[ DDC56 ]
C1 ENERGY= 43.4 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS276 o EQ31
[ DDC57 ]
C1 ENERGY= 11.8 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS277 o EQ31
[ DDC58 ]
Cs ENERGY= -4.0 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS288 o EQ34
[ DDC59 ]
Cs ENERGY= 262.1 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS289 o EQ34
[ DDC60 ]
C1 ENERGY= 83.9 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS290 o EQ34
[ DDC61 ]
C1 ENERGY= 284.0 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS291 o EQ34
[ DDC62 ]
C1 ENERGY= 22.7 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS296 o EQ35
[ DDC63 ]
C1 ENERGY= 25.3 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS297 o EQ35
[ DDC64 ]
C1 ENERGY= 70.0 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS305 o EQ36
[ DDC65 ]
C1 ENERGY= 317.7 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS306 o EQ36
[ DDC66 ]
C1 ENERGY= 251.0 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS313 o EQ37
[ DDC67 ]
Cs ENERGY= -41.9 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS314 o EQ37
[ DDC68 ]
Cs ENERGY= -31.3 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS315 o EQ37
[ DDC69 ]
C1 ENERGY= 236.2 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS323 o EQ38
[ DDC70 ]
C1 ENERGY= -19.6 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS324 o EQ38
[ DDC71 ]
C1 ENERGY= -50.4 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS325 o EQ38
[ DDC72 ]
C1 ENERGY= 312.7 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS326 o EQ38
[ DDC73 ]
C1 ENERGY= 69.2 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS329 o EQ39
[ DDC74 ]
Cs ENERGY= -20.4 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS330 o EQ39
[ DDC75 ]
Cs ENERGY= -52.1 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS331 o EQ39
[ DDC76 ]
C1 ENERGY= 595.1 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS332 o EQ39
[ DDC77 ]
C1 ENERGY= 200.0 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS343 o EQ41
[ DDC78 ]
C1 ENERGY= 393.1 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS344 o EQ41
[ DDC79 ]
C1 ENERGY= 1.8 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS351 o EQ42
[ DDC80 ]
C1 ENERGY= -23.4 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS352 o EQ42
[ DDC81 ]
C1 ENERGY= 57.4 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS353 o EQ43
[ DDC82 ]
C1 ENERGY= 63.6 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS354 o EQ43
[ DDC83 ]
C1 ENERGY= -27.4 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS356 o EQ44
[ DDC84 ]
C1 ENERGY= -49.6 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS357 o EQ44
[ DDC85 ]
C1 ENERGY= 272.3 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS366 o EQ45
[ DDC86 ]
C1 ENERGY= 261.3 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS367 o EQ45
[ DDC87 ]
C1 ENERGY= 613.7 kJ/mol
FRAGMENTS:
H2N2O HN
CONNECTIONS:
o TS368 o EQ45
[ DDC88 ]
C1 ENERGY= 355.4 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS369 o EQ45
[ DDC89 ]
C1 ENERGY= 248.9 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS373 o EQ46
[ DDC90 ]
C1 ENERGY= 314.3 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS375 o EQ47
[ DDC91 ]
C1 ENERGY= 297.1 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS376 o EQ47
[ DDC92 ]
C1 ENERGY= 224.9 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS378 o EQ48
[ DDC93 ]
C1 ENERGY= 120.6 kJ/mol
FRAGMENTS:
HNO N2 H H
CONNECTIONS:
o TS379 o EQ48
[ DDC94 ]
C1 ENERGY= 413.0 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS380 o EQ48
[ DDC95 ]
C1 ENERGY= -46.1 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS381 o EQ49
[ DDC96 ]
Cs ENERGY= 95.9 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS382 o EQ49
[ DDC97 ]
C1 ENERGY= 117.5 kJ/mol
FRAGMENTS:
HNO N2 H H
CONNECTIONS:
o TS383 o EQ49
[ DDC98 ]
C1 ENERGY= 219.4 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS392 o EQ50
[ DDC99 ]
C1 ENERGY= 274.8 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS397 o EQ51
[ DDC100 ]
C1 ENERGY= 298.7 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS398 o EQ51
[ DDC101 ]
C1 ENERGY= 290.4 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS399 o EQ51
[ DDC102 ]
C1 ENERGY= 209.5 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS406 o EQ52
[ DDC103 ]
C1 ENERGY= 427.5 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS410 o EQ53
[ DDC104 ]
C1 ENERGY= 575.0 kJ/mol
FRAGMENTS:
HO H2N3
CONNECTIONS:
o TS411 o EQ53
[ DDC105 ]
C1 ENERGY= 318.8 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS424 o EQ55
[ DDC106 ]
C1 ENERGY= 513.0 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS425 o EQ55
[ DDC107 ]
C1 ENERGY= 202.0 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS435 o EQ57
[ DDC108 ]
C1 ENERGY= 457.7 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS436 o EQ57
[ DDC109 ]
C1 ENERGY= 412.1 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS437 o EQ57
[ DDC110 ]
C1 ENERGY= 427.1 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS438 o EQ57
[ DDC111 ]
C1 ENERGY= 504.8 kJ/mol
FRAGMENTS:
HO H2N3
CONNECTIONS:
o TS439 o EQ57
[ DDC112 ]
C1 ENERGY= 395.6 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS445 o EQ58
[ DDC113 ]
C1 ENERGY= 346.0 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS451 o EQ59
[ DDC114 ]
C1 ENERGY= 277.6 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS452 o EQ59
[ DDC115 ]
C1 ENERGY= 496.5 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS453 o EQ59
[ DDC116 ]
C1 ENERGY= 316.0 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS454 o EQ60
[ DDC117 ]
Cs ENERGY= 354.0 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS463 o EQ61
[ DDC118 ]
Cs ENERGY= 457.4 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS464 o EQ61
[ DDC119 ]
C1 ENERGY= 498.0 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS465 o EQ62
[ DDC120 ]
C1 ENERGY= 419.7 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS466 o EQ63
[ DDC121 ]
C1 ENERGY= 282.2 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS469 o EQ64
[ DDC122 ]
Cs ENERGY= 338.1 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS476 o EQ65
[ DDC123 ]
C1 ENERGY= 271.0 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS478 o EQ66
[ DDC124 ]
C1 ENERGY= 287.5 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS479 o EQ66
[ DDC125 ]
C1 ENERGY= 349.0 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS483 o EQ67
[ DDC126 ]
Cs ENERGY= 703.8 kJ/mol
FRAGMENTS:
HN2O H2N
CONNECTIONS:
o TS484 o EQ67
[ DDC127 ]
C1 ENERGY= 317.5 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS490 o EQ68
[ DDC128 ]
C1 ENERGY= 323.6 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS492 o EQ69
[ DDC129 ]
C1 ENERGY= 208.7 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS495 o EQ70
[ DDC130 ]
C1 ENERGY= 263.0 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS499 o EQ71
[ DDC131 ]
C1 ENERGY= 329.8 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS500 o EQ71
[ DDC132 ]
C1 ENERGY= 254.1 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS501 o EQ71
[ DDC133 ]
C1 ENERGY= 203.1 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS502 o EQ72
[ DDC134 ]
C1 ENERGY= 308.1 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS503 o EQ73
[ DDC135 ]
C1 ENERGY= 303.8 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS504 o EQ73
[ DDC136 ]
C1 ENERGY= 335.8 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS510 o EQ74
[ DDC137 ]
C1 ENERGY= 268.3 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS512 o EQ75
[ DDC138 ]
C1 ENERGY= 243.9 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS513 o EQ75
[ DDC139 ]
C1 ENERGY= 339.6 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS514 o EQ76
[ DDC140 ]
C1 ENERGY= 382.7 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS515 o EQ76
[ DDC141 ]
C1 ENERGY= 194.6 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS520 o EQ77
[ DDC142 ]
C1 ENERGY= 223.5 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS521 o EQ77
[ DDC143 ]
C1 ENERGY= 351.1 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS524 o EQ78
[ DDC144 ]
Cs ENERGY= 394.1 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS525 o EQ78
[ DDC145 ]
C1 ENERGY= 290.1 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS526 o EQ79
[ DDC146 ]
C1 ENERGY= 268.3 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS527 o EQ79
[ DDC147 ]
C1 ENERGY= 290.0 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS529 o EQ80
[ DDC148 ]
C1 ENERGY= 283.3 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS530 o EQ80
[ DDC149 ]
C1 ENERGY= 306.9 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS531 o EQ80
[ DDC150 ]
C1 ENERGY= 284.8 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS532 o EQ80
[ DDC151 ]
C1 ENERGY= 218.8 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS535 o EQ81
[ DDC152 ]
C1 ENERGY= 209.8 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS536 o EQ81
[ DDC153 ]
C1 ENERGY= 357.4 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS537 o EQ81
[ DDC154 ]
C1 ENERGY= 419.9 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS538 o EQ81
[ DDC155 ]
C1 ENERGY= 292.8 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS539 o EQ82
[ DDC156 ]
C1 ENERGY= 266.8 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS540 o EQ83
[ DDC157 ]
C1 ENERGY= 199.0 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS541 o EQ84
[ DDC158 ]
C1 ENERGY= 222.7 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS542 o EQ84
[ DDC159 ]
C1 ENERGY= 299.9 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS544 o EQ85
[ DDC160 ]
C1 ENERGY= 277.4 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS545 o EQ85
[ DDC161 ]
C1 ENERGY= 284.1 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS549 o EQ86
[ DDC162 ]
C1 ENERGY= 314.5 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS550 o EQ86
[ DDC163 ]
C1 ENERGY= 284.5 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS551 o EQ86
[ DDC164 ]
C1 ENERGY= 63.5 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS552 o EQ86
[ DDC165 ]
C1 ENERGY= 350.3 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS554 o EQ87
[ DDC166 ]
C1 ENERGY= 267.3 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS558 o EQ88
[ DDC167 ]
C1 ENERGY= 265.8 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS559 o EQ88
[ DDC168 ]
C1 ENERGY= 362.1 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS560 o EQ88
[ DDC169 ]
C1 ENERGY= -42.8 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS561 o EQ89
[ DDC170 ]
C1 ENERGY= 265.5 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS563 o EQ90
[ DDC171 ]
C1 ENERGY= 360.8 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS564 o EQ90
[ DDC172 ]
C1 ENERGY= 722.9 kJ/mol
FRAGMENTS:
HN2O H2N
CONNECTIONS:
o TS568 o EQ91
[ DDC173 ]
C1 ENERGY= 281.6 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS571 o EQ93
[ DDC174 ]
C1 ENERGY= 386.3 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS572 o EQ93
[ DDC175 ]
Cs ENERGY= 397.2 kJ/mol
FRAGMENTS:
HN3O H H
CONNECTIONS:
o TS573 o EQ93
[ DDC176 ]
C1 ENERGY= 719.2 kJ/mol
FRAGMENTS:
HN2O H2N
CONNECTIONS:
o TS575 o EQ94
[ DDC177 ]
C1 ENERGY= 333.2 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS580 o EQ95
[ DDC178 ]
C1 ENERGY= 721.2 kJ/mol
FRAGMENTS:
HN2O H2N
CONNECTIONS:
o TS581 o EQ95
[ DDC179 ]
C1 ENERGY= -67.6 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS582 o DDC180
[ DDC180 ]
C1 ENERGY= 34.0 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS582 o DDC179
[ DDC181 ]
C1 ENERGY= 0.6 kJ/mol
FRAGMENTS:
H3O N3
CONNECTIONS:
o TS583 o DDC182
[ DDC182 ]
C1 ENERGY= 0.6 kJ/mol
FRAGMENTS:
H3O N3
CONNECTIONS:
o TS583 o DDC181
[ DDC183 ]
C1 ENERGY= 199.1 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS584 o DDC184
[ DDC184 ]
C1 ENERGY= -70.4 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS584 o DDC183
[ DDC185 ]
C1 ENERGY= 17.7 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS585 o DDC186
[ DDC186 ]
C1 ENERGY= 212.8 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS585 o DDC185
[ DDC187 ]
C1 ENERGY= 199.9 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS586 o DDC188
[ DDC188 ]
C1 ENERGY= -63.5 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS586 o DDC187
[ DDC189 ]
C1 ENERGY= 191.3 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS587 o DDC190
[ DDC190 ]
C1 ENERGY= 211.6 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS587 o DDC189
[ DDC191 ]
C1 ENERGY= 110.3 kJ/mol
FRAGMENTS:
HNO N2 H H
CONNECTIONS:
o TS588 o DDC192
[ DDC192 ]
C1 ENERGY= 40.5 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS588 o DDC191
[ DDC193 ]
C1 ENERGY= 59.7 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS589 o DDC194
[ DDC194 ]
Cs ENERGY= 254.9 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS589 o DDC193
[ DDC195 ]
C1 ENERGY= 266.3 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS590 o DDC196
[ DDC196 ]
C1 ENERGY= 268.5 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS590 o DDC195
[ DDC197 ]
C1 ENERGY= 197.5 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS591 o DDC198
[ DDC198 ]
C1 ENERGY= 22.0 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS591 o DDC197
[ DDC199 ]
C1 ENERGY= 23.9 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS592 o DDC200
[ DDC200 ]
C1 ENERGY= 224.9 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS592 o DDC199
[ DDC201 ]
C1 ENERGY= 307.3 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS593 o DDC202
[ DDC202 ]
C1 ENERGY= 293.7 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS593 o DDC201
[ DDC203 ]
C1 ENERGY= 195.7 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS594 o DDC204
[ DDC204 ]
C1 ENERGY= 26.1 kJ/mol
FRAGMENTS:
H2O HN3
CONNECTIONS:
o TS594 o DDC203
[ DDC205 ]
C1 ENERGY= 277.2 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS595 o DDC206
[ DDC206 ]
C1 ENERGY= 273.5 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS595 o DDC205
[ DDC207 ]
C1 ENERGY= -10.4 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS596 o DDC208
[ DDC208 ]
C1 ENERGY= 273.6 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS596 o DDC207
[ DDC209 ]
Cs ENERGY= 287.7 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS597 o DDC210
[ DDC210 ]
Cs ENERGY= 306.7 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS597 o DDC209
[ DDC211 ]
C1 ENERGY= 318.7 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS598 o DDC212
[ DDC212 ]
C1 ENERGY= 251.5 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS598 o DDC211
[ DDC213 ]
C1 ENERGY= 286.2 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS599 o DDC214
[ DDC214 ]
C1 ENERGY= 322.2 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS599 o DDC213
[ DDC215 ]
C1 ENERGY= 335.9 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS600 o DDC216
[ DDC216 ]
C1 ENERGY= 337.3 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS600 o DDC215
[ DDC217 ]
C1 ENERGY= 320.0 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS601 o DDC218
[ DDC218 ]
C1 ENERGY= 276.7 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS601 o DDC217
[ DDC219 ]
C1 ENERGY= 266.7 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS602 o DDC220
[ DDC220 ]
C1 ENERGY= 273.5 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS602 o DDC219
[ DDC221 ]
Cs ENERGY= 327.5 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS603 o DDC222
[ DDC222 ]
Cs ENERGY= 85.0 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS603 o DDC221
[ DDC223 ]
Cs ENERGY= 335.4 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS604 o DDC224
[ DDC224 ]
Cs ENERGY= 332.5 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS604 o DDC223
[ DDC225 ]
C1 ENERGY= 327.4 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS605 o DDC226
[ DDC226 ]
C1 ENERGY= 278.1 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS605 o DDC225
[ DDC227 ]
C1 ENERGY= 258.2 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS606 o DDC228
[ DDC228 ]
C1 ENERGY= 336.0 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS606 o DDC227
[ DDC229 ]
C1 ENERGY= 323.2 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS607 o DDC230
[ DDC230 ]
C1 ENERGY= 256.1 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS607 o DDC229
[ DDC231 ]
C1 ENERGY= 381.2 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS608 o DDC232
[ DDC232 ]
C1 ENERGY= 379.3 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS608 o DDC231
[ DDC233 ]
C1 ENERGY= 384.0 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS609 o DDC234
[ DDC234 ]
C1 ENERGY= 336.8 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS609 o DDC233
[ DDC235 ]
C1 ENERGY= 315.7 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS610 o DDC236
[ DDC236 ]
C1 ENERGY= 315.7 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS610 o DDC235
[ DDC237 ]
C1 ENERGY= 327.3 kJ/mol
FRAGMENTS:
NO H3N2
CONNECTIONS:
o TS611 o DDC238
[ DDC238 ]
C1 ENERGY= 332.4 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS611 o DDC237
[ DDC239 ]
C1 ENERGY= 335.2 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS612 o DDC240
[ DDC240 ]
C1 ENERGY= 391.3 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS612 o DDC239
[ DDC241 ]
C1 ENERGY= 285.1 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS613 o DDC242
[ DDC242 ]
C1 ENERGY= 116.2 kJ/mol
FRAGMENTS:
HNO N2 H H
CONNECTIONS:
o TS613 o DDC241
[ DDC243 ]
C1 ENERGY= 355.3 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS614 o DDC244
[ DDC244 ]
C1 ENERGY= 389.2 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS614 o DDC243
[ DDC245 ]
C1 ENERGY= 417.0 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS615 o DDC246
[ DDC246 ]
C1 ENERGY= 419.8 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS615 o DDC245
[ DDC247 ]
C1 ENERGY= 347.4 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS616 o DDC248
[ DDC248 ]
C1 ENERGY= 319.4 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS616 o DDC247
[ DDC249 ]
C1 ENERGY= 258.5 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS617 o DDC250
[ DDC250 ]
C1 ENERGY= 357.0 kJ/mol
FRAGMENTS:
NO HN2 H H
CONNECTIONS:
o TS617 o DDC249
[ DDC251 ]
C1 ENERGY= 410.9 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS618 o DDC252
[ DDC252 ]
C1 ENERGY= 312.6 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS618 o DDC251
[ DDC253 ]
C1 ENERGY= 341.5 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS619 o DDC254
[ DDC254 ]
C1 ENERGY= 284.4 kJ/mol
FRAGMENTS:
H3NO N2
CONNECTIONS:
o TS619 o DDC253
[ DDC255 ]
C1 ENERGY= 321.2 kJ/mol
FRAGMENTS:
NO HN2 H H
CONNECTIONS:
o TS620 o DDC256
[ DDC256 ]
C1 ENERGY= 346.1 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o TS620 o DDC255
[ DDC257 ]
C1 ENERGY= 255.5 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS621 o DDC258
[ DDC258 ]
C1 ENERGY= 305.2 kJ/mol
FRAGMENTS:
NO HN2 H H
CONNECTIONS:
o TS621 o DDC257
[ DDC259 ]
C1 ENERGY= 314.2 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS622 o DDC260
[ DDC260 ]
C1 ENERGY= 288.1 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS622 o DDC259
[ DDC261 ]
C1 ENERGY= 308.6 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS623 o DDC262
[ DDC262 ]
C1 ENERGY= 294.7 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS623 o DDC261
[ DDC263 ]
C1 ENERGY= 442.8 kJ/mol
FRAGMENTS:
HN2O H2N
CONNECTIONS:
o TS624 o DDC264
[ DDC264 ]
C1 ENERGY= 444.9 kJ/mol
FRAGMENTS:
HN2O H2N
CONNECTIONS:
o TS624 o DDC263
[ DDC265 ]
C1 ENERGY= 399.4 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS625 o DDC266
[ DDC266 ]
C1 ENERGY= 425.9 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o TS625 o DDC265
[ DDC267 ]
C1 ENERGY= 509.8 kJ/mol
FRAGMENTS:
HO H2N3
CONNECTIONS:
o TS626 o DDC268
[ DDC268 ]
C1 ENERGY= 509.8 kJ/mol
FRAGMENTS:
HO H2N3
CONNECTIONS:
o TS626 o DDC267
[ DDC269 ]
Cs ENERGY= 465.4 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS627 o DDC270
[ DDC270 ]
Cs ENERGY= 697.4 kJ/mol
FRAGMENTS:
HN2O H2N
CONNECTIONS:
o TS627 o DDC269
[ DDC271 ]
C1 ENERGY= 319.1 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS628 o DDC272
[ DDC272 ]
C1 ENERGY= 294.7 kJ/mol
FRAGMENTS:
N2O H3N
CONNECTIONS:
o TS628 o DDC271
[ DDC273 ]
C1 ENERGY= 330.7 kJ/mol
FRAGMENTS:
H3N3O
CONNECTIONS:
o TS629 o DDC274
[ DDC274 ]
C1 ENERGY= 699.5 kJ/mol
FRAGMENTS:
HN2O H2N
CONNECTIONS:
o TS629 o DDC273
[ UDC0 ]
C1 ENERGY= 577.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ1 o
[ UDC1 ]
C1 ENERGY= 586.0 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ1 o
[ UDC2 ]
C1 ENERGY= 550.2 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ2 o
[ UDC3 ]
C1 ENERGY= 577.2 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ2 o
[ UDC4 ]
C1 ENERGY= 530.1 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ3 o
[ UDC5 ]
C1 ENERGY= 582.7 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ3 o
[ UDC6 ]
C1 ENERGY= 589.0 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ3 o
[ UDC7 ]
C1 ENERGY= 518.3 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ4 o
[ UDC8 ]
C1 ENERGY= 573.5 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ4 o
[ UDC9 ]
C1 ENERGY= 512.3 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ5 o
[ UDC10 ]
C1 ENERGY= 621.0 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ6 o
[ UDC11 ]
C1 ENERGY= 626.5 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ6 o
[ UDC12 ]
C1 ENERGY= 540.7 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ8 o
[ UDC13 ]
C1 ENERGY= 625.4 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ11 o
[ UDC14 ]
C1 ENERGY= 560.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ12 o
[ UDC15 ]
C1 ENERGY= 613.4 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ12 o
[ UDC16 ]
Cs ENERGY= 446.5 kJ/mol
FRAGMENTS:
HN2O H2N
CONNECTIONS:
o EQ13 o
[ UDC17 ]
C1 ENERGY= 586.1 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ13 o
[ UDC18 ]
C1 ENERGY= 609.7 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ16 o
[ UDC19 ]
C1 ENERGY= 562.0 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ17 o
[ UDC20 ]
Cs ENERGY= 664.8 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ18 o
[ UDC21 ]
Cs ENERGY= 677.4 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ18 o
[ UDC22 ]
C1 ENERGY= 555.1 kJ/mol
FRAGMENTS:
H2N2O HN
CONNECTIONS:
o EQ19 o
[ UDC23 ]
C1 ENERGY= 602.3 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ19 o
[ UDC24 ]
C1 ENERGY= 688.3 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ22 o
[ UDC25 ]
C1 ENERGY= 574.3 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ23 o
[ UDC26 ]
C1 ENERGY= 671.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ23 o
[ UDC27 ]
C1 ENERGY= 597.7 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ26 o
[ UDC28 ]
Cs ENERGY= 653.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ27 o
[ UDC29 ]
Cs ENERGY= 677.2 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ27 o
[ UDC30 ]
C1 ENERGY= 572.7 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ28 o
[ UDC31 ]
C1 ENERGY= 598.3 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ28 o
[ UDC32 ]
C1 ENERGY= 637.2 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ32 o
[ UDC33 ]
Cs ENERGY= 667.1 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ32 o
[ UDC34 ]
C1 ENERGY= 698.3 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ35 o
[ UDC35 ]
C1 ENERGY= 542.5 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ36 o
[ UDC36 ]
C1 ENERGY= 626.0 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ36 o
[ UDC37 ]
C1 ENERGY= 580.1 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ38 o
[ UDC38 ]
Cs ENERGY= 438.7 kJ/mol
FRAGMENTS:
H2NO HN2
CONNECTIONS:
o EQ40 o
[ UDC39 ]
C1 ENERGY= 683.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ44 o
[ UDC40 ]
C1 ENERGY= 555.7 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ47 o
[ UDC41 ]
C1 ENERGY= 582.8 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ49 o
[ UDC42 ]
C1 ENERGY= 763.2 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ50 o
[ UDC43 ]
C1 ENERGY= 577.9 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ51 o
[ UDC44 ]
C1 ENERGY= 712.9 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ52 o
[ UDC45 ]
C1 ENERGY= 707.5 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ53 o
[ UDC46 ]
C1 ENERGY= 761.0 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ54 o
[ UDC47 ]
C1 ENERGY= 757.0 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ55 o
[ UDC48 ]
C1 ENERGY= 787.0 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ56 o
[ UDC49 ]
Cs ENERGY= 788.2 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ57 o
[ UDC50 ]
Cs ENERGY= 339.6 kJ/mol
FRAGMENTS:
HNO H2N2
CONNECTIONS:
o EQ60 o
[ UDC51 ]
Cs ENERGY= 736.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ64 o
[ UDC52 ]
C1 ENERGY= 715.9 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ66 o
[ UDC53 ]
C1 ENERGY= 772.8 kJ/mol
FRAGMENTS:
O H3N3
CONNECTIONS:
o EQ66 o
[ UDC54 ]
C1 ENERGY= 772.8 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ66 o
[ UDC55 ]
C1 ENERGY= 743.2 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ68 o
[ UDC56 ]
Cs ENERGY= 779.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ68 o
[ UDC57 ]
C1 ENERGY= 749.2 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ70 o
[ UDC58 ]
C1 ENERGY= 755.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ71 o
[ UDC59 ]
C1 ENERGY= 774.5 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ71 o
[ UDC60 ]
C1 ENERGY= 726.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ72 o
[ UDC61 ]
Cs ENERGY= 717.7 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ73 o
[ UDC62 ]
Cs ENERGY= 818.2 kJ/mol
FRAGMENTS:
O H3N3
CONNECTIONS:
o EQ73 o
[ UDC63 ]
C1 ENERGY= 727.1 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ74 o
[ UDC64 ]
C1 ENERGY= 770.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ77 o
[ UDC65 ]
C1 ENERGY= 755.1 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ81 o
[ UDC66 ]
Cs ENERGY= 745.4 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ82 o
[ UDC67 ]
C1 ENERGY= 834.1 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ84 o
[ UDC68 ]
C1 ENERGY= 790.2 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ88 o
[ UDC69 ]
C1 ENERGY= 781.4 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ89 o
[ UDC70 ]
C1 ENERGY= 736.0 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ90 o
[ UDC71 ]
C1 ENERGY= 944.1 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ90 o
[ UDC72 ]
Cs ENERGY= 916.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ93 o
[ UDC73 ]
C1 ENERGY= 1203.1 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ94 o
[ UDC74 ]
C1 ENERGY= 1210.6 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ95 o
[ UDC75 ]
C1 ENERGY= 1224.5 kJ/mol
FRAGMENTS:
H2N3O H
CONNECTIONS:
o EQ95 o
xx: This is an exceptional case, which could not be assigned during the GRRM
procedures. It is possibly due to a very shallow well of numerical thresholds,
a minimum with negative Hessians, or artifacts associated with the computation.
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