Reaction Routes of
H4N4
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/6-31G*
© 2009 Koichi OHNO
Explored: EQ59 TS439
C1 ENERGY= 0.0 kJ/mol ( -221.3471066 Hartree)
Energy+ZPE= 0.0 kJ/mol ZPE= 0.0593322
CONNECTIONS:
o TS0 (554.9) o DDC0
Ci ENERGY= 63.1 kJ/mol ( -221.3230827 Hartree)
Energy+ZPE= 73.9 kJ/mol ZPE= 0.0634306
CONNECTIONS:
o TS1 (296.9) o EQ2
o TS2 (416.3) o EQ2
o TS3 ( 76.0) o EQ3
o TS4 ( 96.4) o EQ3
o TS5 (104.2) o EQ3
o TS6 (267.0) o EQ7
o TS7 (386.5) o EQ19
o TS8 (357.2) o DDC1
o TS9 (411.3) o DDC2
o TS10 (492.2) o DDC3
o UDC0 o
C2 ENERGY= 63.7 kJ/mol ( -221.3228537 Hartree)
Energy+ZPE= 76.0 kJ/mol ZPE= 0.0640216
CONNECTIONS:
o TS1 (296.9) o EQ1
o TS2 (416.3) o EQ1
o TS11 ( 87.2) o EQ2
o TS12 ( 88.5) o EQ2
o TS13 (129.0) o EQ2
o TS14 (297.9) o EQ3
o TS15 (343.1) o EQ12
o TS16 (355.8) o EQ13
o TS17 (370.5) o EQ13
o TS18 (428.6) o EQ20
o TS19 (161.9) o DDC4
o UDC1 o
C2 ENERGY= 64.2 kJ/mol ( -221.3226436 Hartree)
Energy+ZPE= 74.9 kJ/mol ZPE= 0.0634032
CONNECTIONS:
o TS3 ( 76.0) o EQ1
o TS4 ( 96.4) o EQ1
o TS5 (104.2) o EQ1
o TS14 (297.9) o EQ2
o TS20 (266.8) o EQ5
o TS21 (366.9) o EQ16
o TS22 (458.8) o EQ20
o TS23 (481.8) o EQ29
o TS24 (384.1) o EQ48
o TS25 (439.3) o EQ48
o TS26 (442.4) o EQ48
o TS27 (413.6) o DDC5
C1 ENERGY= 90.3 kJ/mol ( -221.3127175 Hartree)
Energy+ZPE= 103.0 kJ/mol ZPE= 0.0641696
CONNECTIONS:
o TS28 ( 93.6) o EQ4
o TS29 (366.8) o EQ4
o TS30 (159.3) o EQ5
o TS31 (168.0) o EQ5
o TS32 (276.5) o EQ8
o TS33 (126.3) o EQ10
o TS34 (128.3) o EQ10
o TS35 (133.7) o EQ10
o TS36 (200.2) o EQ12
o TS37 (319.4) o EQ12
o TS38 (435.1) o EQ21
o TS39 (401.1) o EQ22
o TS40 (263.8) o EQ30
o TS41 (284.3) o EQ33
o TS42 (484.8) o EQ51
o TS43 (305.6) o DDC6
o TS44 (308.0) o DDC7
o TS45 (443.8) o DDC8
C1 ENERGY= 103.1 kJ/mol ( -221.3078323 Hartree)
Energy+ZPE= 114.3 kJ/mol ZPE= 0.0636065
CONNECTIONS:
o TS20 (266.8) o EQ3
o TS30 (159.3) o EQ4
o TS31 (168.0) o EQ4
o TS46 (106.6) o EQ5
o TS47 (128.9) o EQ7
o TS48 (131.9) o EQ7
o TS49 (145.2) o EQ7
o TS50 (293.9) o EQ9
o TS51 (530.5) o EQ14
o TS52 (428.7) o EQ15
o TS53 (359.3) o EQ27
o TS54 (328.7) o EQ35
o TS55 (359.9) o EQ39
o TS56 (449.6) o EQ50
o TS57 (322.4) o DDC9
o TS58 (430.9) o DDC10
o TS59 (444.7) o DDC11
C1 ENERGY= 114.3 kJ/mol ( -221.3035795 Hartree)
Energy+ZPE= 124.8 kJ/mol ZPE= 0.0633131
CONNECTIONS:
o TS60 (120.8) o EQ6
o TS61 (470.2) o EQ6
o TS62 (598.2) o EQ6
o TS63 (128.1) o EQ8
o TS64 (148.9) o EQ8
o TS65 (163.5) o EQ8
o TS66 (312.5) o EQ10
o TS67 (168.6) o EQ11
o TS68 (362.4) o EQ13
o TS69 (681.6) o EQ53
o TS70 (537.6) o EQ58
o TS71 (148.5) o DDC12
o TS72 (440.6) o DDC13
C1 ENERGY= 115.8 kJ/mol ( -221.3030048 Hartree)
Energy+ZPE= 126.6 kJ/mol ZPE= 0.0634382
CONNECTIONS:
o TS6 (267.0) o EQ1
o TS47 (128.9) o EQ5
o TS48 (131.9) o EQ5
o TS49 (145.2) o EQ5
o TS73 (118.7) o EQ7
o TS74 (177.9) o EQ10
o TS75 (183.2) o EQ10
o TS76 (307.8) o EQ11
o TS77 (398.7) o EQ19
o TS78 (550.9) o EQ29
o TS79 (428.2) o DDC14
C1 ENERGY= 115.8 kJ/mol ( -221.3029878 Hartree)
Energy+ZPE= 126.2 kJ/mol ZPE= 0.0632916
CONNECTIONS:
o TS32 (276.5) o EQ4
o TS63 (128.1) o EQ6
o TS64 (148.9) o EQ6
o TS65 (163.5) o EQ6
o TS80 (119.6) o EQ8
o TS81 (152.7) o EQ9
o TS82 (193.5) o EQ9
o TS83 (449.6) o EQ15
o TS84 (476.8) o EQ50
o TS85 (225.0) o DDC15
o TS86 (345.6) o DDC16
C1 ENERGY= 121.6 kJ/mol ( -221.3007787 Hartree)
Energy+ZPE= 130.3 kJ/mol ZPE= 0.0626377
CONNECTIONS:
o TS50 (293.9) o EQ5
o TS81 (152.7) o EQ8
o TS82 (193.5) o EQ8
o TS87 (125.2) o EQ9
o TS88 (148.6) o EQ11
o TS89 (153.9) o EQ11
o TS90 (167.1) o EQ11
o TS91 (458.1) o EQ14
o TS92 (402.5) o EQ16
o TS93 (355.6) o EQ25
o TS94 (457.6) o EQ35
o TS95 (471.3) o EQ35
o TS96 (375.8) o EQ41
o TS97 (448.7) o EQ51
o TS98 (452.2) o EQ52
o TS99 (233.8) o DDC17
o TS100 (297.4) o DDC18
o TS101 (315.0) o DDC19
o TS102 (321.8) o DDC20
o TS103 (467.7) o DDC21
o UDC2 o
C1 ENERGY= 125.6 kJ/mol ( -221.2992601 Hartree)
Energy+ZPE= 135.6 kJ/mol ZPE= 0.0631251
CONNECTIONS:
o TS33 (126.3) o EQ4
o TS34 (128.3) o EQ4
o TS35 (133.7) o EQ4
o TS66 (312.5) o EQ6
o TS74 (177.9) o EQ7
o TS75 (183.2) o EQ7
o TS104 (128.8) o EQ10
o TS105 (605.3) o EQ58
o TS106 (355.3) o DDC22
o TS107 (443.8) o DDC23
[ EQ11 ] C1 ENERGY= 138.7 kJ/mol ( -221.2942876 Hartree)
Energy+ZPE= 146.3 kJ/mol ZPE= 0.0622272
CONNECTIONS:
o TS67 (168.6) o EQ6
o TS76 (307.8) o EQ7
o TS88 (148.6) o EQ9
o TS89 (153.9) o EQ9
o TS90 (167.1) o EQ9
o TS108 (141.2) o EQ11
o TS109 (400.6) o EQ16
o TS110 (505.7) o EQ19
o TS111 (240.3) o DDC24
o TS112 (321.3) o DDC25
[ EQ12 ] C1 ENERGY= 143.4 kJ/mol ( -221.2924853 Hartree)
Energy+ZPE= 156.3 kJ/mol ZPE= 0.0642398
CONNECTIONS:
o TS15 (343.1) o EQ2
o TS36 (200.2) o EQ4
o TS37 (319.4) o EQ4
o TS113 (153.7) o EQ12
o TS114 (178.4) o EQ12
o TS115 (191.9) o EQ12
o TS116 (204.0) o EQ13
o TS117 (660.2) o EQ15
o TS118 (339.2) o EQ19
o TS119 (495.8) o EQ22
o TS120 (554.6) o EQ22
o TS121 (435.8) o EQ31
o TS122 (383.4) o EQ32
o TS123 (452.0) o EQ34
o TS124 (433.8) o EQ36
o TS125 (457.6) o EQ43
o TS126 (620.9) o EQ43
o TS127 (533.4) o EQ53
o TS128 (537.9) o EQ55
o TS129 (527.2) o EQ56
o TS130 (551.2) o DDC26
o UDC3 o
o UDC4 o
o UDC5 o
[ EQ13 ] C1 ENERGY= 146.4 kJ/mol ( -221.2913513 Hartree)
Energy+ZPE= 160.0 kJ/mol ZPE= 0.0645286
CONNECTIONS:
o TS16 (355.8) o EQ2
o TS17 (370.5) o EQ2
o TS68 (362.4) o EQ6
o TS116 (204.0) o EQ12
o TS131 (150.6) o EQ13
o TS132 (177.2) o EQ13
o TS133 (304.1) o EQ13
o TS134 (312.3) o EQ16
o TS135 (333.0) o EQ16
o TS136 (176.5) o EQ18
o TS137 (546.8) o EQ28
o TS138 (382.3) o EQ31
o TS139 (412.2) o EQ36
o TS140 (412.2) o EQ49
o TS141 (519.4) o EQ53
o TS142 (523.0) o EQ54
o TS143 (585.8) o EQ56
o TS144 (300.7) o DDC27
o TS145 (398.8) o DDC28
o TS146 (498.6) o DDC29
[ EQ14 ] Cs ENERGY= 147.7 kJ/mol ( -221.2908574 Hartree)
Energy+ZPE= 160.9 kJ/mol ZPE= 0.0643636
CONNECTIONS:
o TS51 (530.5) o EQ5
o TS91 (458.1) o EQ9
o TS147 (165.4) o EQ14
o TS148 (177.4) o EQ14
o TS149 (239.8) o EQ15
o TS150 (248.2) o EQ15
o TS151 (313.5) o EQ15
o TS152 (415.5) o EQ29
o TS153 (415.8) o EQ29
o TS154 (598.5) o DDC30
o UDC6 o
[ EQ15 ] C1 ENERGY= 151.0 kJ/mol ( -221.2895924 Hartree)
Energy+ZPE= 163.9 kJ/mol ZPE= 0.0642426
CONNECTIONS:
o TS52 (428.7) o EQ5
o TS83 (449.6) o EQ8
o TS117 (660.2) o EQ12
o TS149 (239.8) o EQ14
o TS150 (248.2) o EQ14
o TS151 (313.5) o EQ14
o TS155 (159.4) o EQ15
o TS156 (178.5) o EQ15
o TS157 (188.7) o EQ15
o TS158 (359.3) o EQ17
o TS159 (372.3) o EQ20
o TS160 (274.0) o EQ21
o TS161 (278.2) o EQ21
o TS162 (418.9) o EQ31
o TS163 (423.4) o EQ31
o TS164 (425.9) o EQ34
o TS165 (567.6) o EQ35
o TS166 (442.0) o EQ40
o TS167 (532.3) o DDC31
o UDC7 o
[ EQ16 ] Cs ENERGY= 151.7 kJ/mol ( -221.2893245 Hartree)
Energy+ZPE= 163.9 kJ/mol ZPE= 0.0639725
CONNECTIONS:
o TS21 (366.9) o EQ3
o TS92 (402.5) o EQ9
o TS109 (400.6) o EQ11
o TS134 (312.3) o EQ13
o TS135 (333.0) o EQ13
o TS168 (191.0) o EQ16
o TS169 (199.0) o EQ16
o TS170 (281.5) o EQ19
o TS171 (283.5) o EQ19
o TS172 (599.0) o EQ19
o TS173 (266.3) o EQ25
o TS174 (392.8) o EQ26
o TS175 (347.9) o EQ32
o TS176 (348.0) o EQ32
o TS177 (369.9) o EQ34
o TS178 (368.7) o EQ40
o TS179 (440.5) o EQ41
o TS180 (468.7) o EQ42
o TS181 (625.6) o EQ50
o TS182 (631.8) o EQ51
o TS183 (623.6) o EQ52
o TS184 (501.6) o DDC32
o UDC8 o
[ EQ17 ] C2 ENERGY= 172.3 kJ/mol ( -221.2814793 Hartree)
Energy+ZPE= 181.8 kJ/mol ZPE= 0.0629358
CONNECTIONS:
o TS158 (359.3) o EQ15
o TS185 (192.3) o EQ20
o TS186 (204.6) o EQ20
o TS187 (212.1) o EQ20
o TS188 (455.6) o EQ48
o TS189 (657.0) o EQ50
o TS190 (277.5) o DDC33
o TS191 (600.7) o DDC34
[ EQ18 ] C1 ENERGY= 176.4 kJ/mol ( -221.2799093 Hartree)
Energy+ZPE= 187.3 kJ/mol ZPE= 0.0634804
CONNECTIONS:
o TS136 (176.5) o EQ13
[ EQ19 ] Cs ENERGY= 176.9 kJ/mol ( -221.2797309 Hartree)
Energy+ZPE= 187.9 kJ/mol ZPE= 0.0635337
CONNECTIONS:
o TS7 (386.5) o EQ1
o TS77 (398.7) o EQ7
o TS110 (505.7) o EQ11
o TS118 (339.2) o EQ12
o TS170 (281.5) o EQ16
o TS171 (283.5) o EQ16
o TS172 (599.0) o EQ16
o TS192 (222.0) o EQ19
o TS193 (226.4) o EQ19
o TS194 (272.9) o EQ27
o TS195 (348.9) o EQ29
o TS196 (358.4) o EQ31
o TS197 (453.6) o EQ39
o TS198 (486.9) o EQ41
o TS199 (653.3) o EQ50
o TS200 (656.8) o EQ50
o TS201 (341.6) o DDC35
o UDC9 o
o UDC10 o
o UDC11 o
[ EQ20 ] C1 ENERGY= 190.9 kJ/mol ( -221.2743860 Hartree)
Energy+ZPE= 198.1 kJ/mol ZPE= 0.0620821
CONNECTIONS:
o TS18 (428.6) o EQ2
o TS22 (458.8) o EQ3
o TS159 (372.3) o EQ15
o TS185 (192.3) o EQ17
o TS186 (204.6) o EQ17
o TS187 (212.1) o EQ17
o TS202 (469.9) o EQ48
o TS203 (676.0) o EQ52
o UDC12 o
o UDC13 o
[ EQ21 ] C1 ENERGY= 194.3 kJ/mol ( -221.2730878 Hartree)
Energy+ZPE= 204.2 kJ/mol ZPE= 0.0630998
CONNECTIONS:
o TS38 (435.1) o EQ4
o TS160 (274.0) o EQ15
o TS161 (278.2) o EQ15
o TS204 (195.1) o EQ21
o TS205 (196.7) o EQ21
o TS206 (214.6) o EQ21
o TS207 (421.8) o EQ29
o TS208 (431.0) o EQ32
[ EQ22 ] C1 ENERGY= 200.1 kJ/mol ( -221.2709007 Hartree)
Energy+ZPE= 207.3 kJ/mol ZPE= 0.0620629
CONNECTIONS:
o TS39 (401.1) o EQ4
o TS119 (495.8) o EQ12
o TS120 (554.6) o EQ12
o TS209 (235.4) o EQ22
o TS210 (225.6) o EQ26
o TS211 (248.5) o EQ26
o TS212 (235.7) o EQ28
o TS213 (241.3) o EQ28
o TS214 (245.1) o EQ28
o TS215 (601.2) o EQ44
o TS216 (603.2) o EQ46
o TS217 (484.0) o EQ50
o TS218 (507.4) o EQ50
o TS219 (241.6) o DDC36
o TS220 (264.2) o DDC37
o TS221 (306.3) o DDC38
o TS222 (321.3) o DDC39
o TS223 (352.5) o DDC40
o TS224 (534.9) o DDC41
[ EQ23 ] Cs ENERGY= 205.9 kJ/mol ( -221.2686916 Hartree)
Energy+ZPE= 202.1 kJ/mol ZPE= 0.0579037
CONNECTIONS:
o TS225 (206.2) o DDC42
o UDC14 o
[ EQ24 ] C1 ENERGY= 208.8 kJ/mol ( -221.2675648 Hartree)
Energy+ZPE= 215.2 kJ/mol ZPE= 0.0617855
CONNECTIONS:
o TS226 (235.0) o EQ24
o TS227 (222.9) o EQ26
o TS228 (247.6) o EQ26
o TS229 (270.2) o EQ26
o TS230 (242.9) o EQ28
o TS231 (262.7) o EQ28
o TS232 (524.6) o EQ52
o TS233 (220.3) o DDC43
[ EQ25 ] Cs ENERGY= 213.8 kJ/mol ( -221.2656677 Hartree)
Energy+ZPE= 222.4 kJ/mol ZPE= 0.0625962
CONNECTIONS:
o TS93 (355.6) o EQ9
o TS173 (266.3) o EQ16
o TS234 (219.8) o EQ25
o TS235 (383.3) o EQ27
o TS236 (240.1) o DDC44
o TS237 (341.4) o DDC45
o TS238 (453.1) o DDC46
o UDC15 o
[ EQ26 ] C1 ENERGY= 214.8 kJ/mol ( -221.2652812 Hartree)
Energy+ZPE= 220.5 kJ/mol ZPE= 0.0614886
CONNECTIONS:
o TS174 (392.8) o EQ16
o TS210 (225.6) o EQ22
o TS211 (248.5) o EQ22
o TS227 (222.9) o EQ24
o TS228 (247.6) o EQ24
o TS229 (270.2) o EQ24
o TS239 (242.2) o EQ26
o TS240 (500.6) o EQ49
o TS241 (524.0) o EQ51
o TS242 (265.3) o DDC47
o TS243 (507.2) o DDC48
[ EQ27 ] Cs ENERGY= 220.5 kJ/mol ( -221.2631188 Hartree)
Energy+ZPE= 229.9 kJ/mol ZPE= 0.0628989
CONNECTIONS:
o TS53 (359.3) o EQ5
o TS194 (272.9) o EQ19
o TS235 (383.3) o EQ25
o TS244 (226.8) o EQ27
o TS245 (238.8) o DDC49
o TS246 (314.4) o DDC50
o TS247 (339.3) o DDC51
o TS248 (454.9) o DDC52
o TS249 (459.1) o DDC53
o UDC16 o
[ EQ28 ] C1 ENERGY= 233.3 kJ/mol ( -221.2582604 Hartree)
Energy+ZPE= 237.3 kJ/mol ZPE= 0.0608377
CONNECTIONS:
o TS137 (546.8) o EQ13
o TS212 (235.7) o EQ22
o TS213 (241.3) o EQ22
o TS214 (245.1) o EQ22
o TS230 (242.9) o EQ24
o TS231 (262.7) o EQ24
o TS250 (261.8) o EQ28
o TS251 (493.4) o EQ53
o TS252 (513.2) o EQ55
o TS253 (310.8) o DDC54
[ EQ29 ] C1 ENERGY= 251.7 kJ/mol ( -221.2512501 Hartree)
Energy+ZPE= 262.5 kJ/mol ZPE= 0.0634533
CONNECTIONS:
o TS23 (481.8) o EQ3
o TS78 (550.9) o EQ7
o TS152 (415.5) o EQ14
o TS153 (415.8) o EQ14
o TS195 (348.9) o EQ19
o TS207 (421.8) o EQ21
o TS254 (398.6) o EQ31
o TS255 (275.9) o EQ32
o TS256 (280.5) o EQ32
o TS257 (285.0) o EQ32
o TS258 (439.6) o EQ32
o TS259 (420.7) o EQ34
o TS260 (507.0) o EQ48
o TS261 (528.2) o EQ52
o TS262 (611.5) o EQ52
o TS263 (559.8) o EQ55
o TS264 (456.7) o DDC55
o TS265 (588.2) o DDC56
o TS266 (613.2) o DDC57
o UDC17 o
[ EQ30 ] C1 ENERGY= 251.7 kJ/mol ( -221.2512432 Hartree)
Energy+ZPE= 250.1 kJ/mol ZPE= 0.0587041
CONNECTIONS:
o TS40 (263.8) o EQ4
o TS267 (251.8) o DDC58
[ EQ31 ] C1 ENERGY= 260.1 kJ/mol ( -221.2480417 Hartree)
Energy+ZPE= 270.9 kJ/mol ZPE= 0.0634621
CONNECTIONS:
o TS121 (435.8) o EQ12
o TS138 (382.3) o EQ13
o TS162 (418.9) o EQ15
o TS163 (423.4) o EQ15
o TS196 (358.4) o EQ19
o TS254 (398.6) o EQ29
o TS268 (277.5) o EQ31
o TS269 (279.7) o EQ31
o TS270 (288.7) o EQ31
o TS271 (412.6) o EQ32
o TS272 (454.4) o EQ32
o TS273 (459.3) o EQ40
o TS274 (500.3) o EQ50
o TS275 (682.1) o EQ50
o TS276 (348.2) o DDC59
o TS277 (626.3) o DDC60
o TS278 (660.7) o DDC61
o UDC18 o
o UDC19 o
[ EQ32 ] C1 ENERGY= 260.6 kJ/mol ( -221.2478671 Hartree)
Energy+ZPE= 271.7 kJ/mol ZPE= 0.0635499
CONNECTIONS:
o TS122 (383.4) o EQ12
o TS175 (347.9) o EQ16
o TS176 (348.0) o EQ16
o TS208 (431.0) o EQ21
o TS255 (275.9) o EQ29
o TS256 (280.5) o EQ29
o TS257 (285.0) o EQ29
o TS258 (439.6) o EQ29
o TS271 (412.6) o EQ31
o TS272 (454.4) o EQ31
o TS279 (419.4) o EQ40
o TS280 (528.8) o EQ51
o TS281 (613.3) o EQ51
o TS282 (340.0) o DDC62
o TS283 (559.9) o DDC63
o TS284 (595.3) o DDC64
o UDC20 o
[ EQ33 ] C1 ENERGY= 273.4 kJ/mol ( -221.2429566 Hartree)
Energy+ZPE= 271.1 kJ/mol ZPE= 0.0584529
CONNECTIONS:
o TS41 (284.3) o EQ4
o TS285 (279.5) o DDC65
o TS286 (282.1) o DDC66
o UDC21 o
o UDC22 o
o UDC23 o
[ EQ34 ] Cs ENERGY= 282.4 kJ/mol ( -221.2395397 Hartree)
Energy+ZPE= 292.8 kJ/mol ZPE= 0.0632924
CONNECTIONS:
o TS123 (452.0) o EQ12
o TS164 (425.9) o EQ15
o TS177 (369.9) o EQ16
o TS259 (420.7) o EQ29
o TS287 (306.2) o EQ40
o TS288 (395.9) o DDC67
o TS289 (488.4) o DDC68
o TS290 (539.6) o DDC69
[ EQ35 ] C1 ENERGY= 286.1 kJ/mol ( -221.2381301 Hartree)
Energy+ZPE= 280.2 kJ/mol ZPE= 0.0570812
CONNECTIONS:
o TS54 (328.7) o EQ5
o TS94 (457.6) o EQ9
o TS95 (471.3) o EQ9
o TS165 (567.6) o EQ15
o TS291 (295.8) o EQ38
o TS292 (287.0) o DDC70
o TS293 (297.2) o DDC71
o TS294 (301.0) o DDC72
[ EQ36 ] C1 ENERGY= 287.2 kJ/mol ( -221.2377340 Hartree)
Energy+ZPE= 294.1 kJ/mol ZPE= 0.0619687
CONNECTIONS:
o TS124 (433.8) o EQ12
o TS139 (412.2) o EQ13
o TS295 (287.9) o EQ36
o TS296 (450.5) o EQ37
o TS297 (365.3) o EQ43
o TS298 (656.9) o EQ43
o TS299 (483.9) o EQ44
o TS300 (458.8) o EQ45
o TS301 (298.3) o DDC73
o TS302 (310.2) o DDC74
o TS303 (420.6) o DDC75
o TS304 (447.3) o DDC76
o TS305 (465.8) o DDC77
o TS306 (472.3) o DDC78
o UDC24 o
[ EQ37 ] C2v ENERGY= 288.3 kJ/mol ( -221.2372953 Hartree)
Energy+ZPE= 306.2 kJ/mol ZPE= 0.0661332
CONNECTIONS:
o TS296 (450.5) o EQ36
o TS307 (470.3) o EQ42
o TS308 (385.6) o EQ45
o UDC25 o
[ EQ38 ] C1 ENERGY= 295.2 kJ/mol ( -221.2346631 Hartree)
Energy+ZPE= 291.6 kJ/mol ZPE= 0.0579524
CONNECTIONS:
o TS291 (295.8) o EQ35
o TS309 (515.6) o EQ41
o TS310 (297.3) o DDC79
o TS311 (302.0) o DDC80
[ EQ39 ] C2 ENERGY= 299.8 kJ/mol ( -221.2329158 Hartree)
Energy+ZPE= 306.4 kJ/mol ZPE= 0.0618382
CONNECTIONS:
o TS55 (359.9) o EQ5
o TS197 (453.6) o EQ19
o TS312 (304.7) o EQ39
o TS313 (574.4) o EQ39
o TS314 (342.5) o EQ41
o TS315 (737.1) o EQ42
o TS316 (446.9) o EQ44
o TS317 (538.5) o EQ50
o TS318 (334.7) o DDC81
o TS319 (439.0) o DDC82
o TS320 (483.0) o DDC83
o TS321 (582.7) o DDC84
[ EQ40 ] C1 ENERGY= 305.4 kJ/mol ( -221.2307786 Hartree)
Energy+ZPE= 313.4 kJ/mol ZPE= 0.0623618
CONNECTIONS:
o TS166 (442.0) o EQ15
o TS178 (368.7) o EQ16
o TS273 (459.3) o EQ31
o TS279 (419.4) o EQ32
o TS287 (306.2) o EQ34
o TS322 (327.7) o EQ40
o TS323 (338.8) o EQ40
o TS324 (560.9) o DDC85
o TS325 (564.2) o DDC86
o TS326 (645.2) o DDC87
[ EQ41 ] C1 ENERGY= 309.1 kJ/mol ( -221.2293584 Hartree)
Energy+ZPE= 314.9 kJ/mol ZPE= 0.0615427
CONNECTIONS:
o TS96 (375.8) o EQ9
o TS179 (440.5) o EQ16
o TS198 (486.9) o EQ19
o TS309 (515.6) o EQ38
o TS314 (342.5) o EQ39
o TS327 (312.0) o EQ41
o TS328 (602.8) o EQ41
o TS329 (341.3) o EQ42
o TS330 (461.3) o EQ45
o TS331 (531.5) o EQ51
o TS332 (538.0) o EQ52
o TS333 (326.3) o DDC88
o TS334 (466.5) o DDC89
[ EQ42 ] C2h ENERGY= 314.2 kJ/mol ( -221.2274179 Hartree)
Energy+ZPE= 319.5 kJ/mol ZPE= 0.0613346
CONNECTIONS:
o TS180 (468.7) o EQ16
o TS307 (470.3) o EQ37
o TS315 (737.1) o EQ39
o TS329 (341.3) o EQ41
o TS335 (428.8) o EQ42
o TS336 (322.6) o DDC90
o TS337 (384.6) o DDC91
[ EQ43 ] C2 ENERGY= 324.3 kJ/mol ( -221.2235698 Hartree)
Energy+ZPE= 328.0 kJ/mol ZPE= 0.0607325
CONNECTIONS:
o TS125 (457.6) o EQ12
o TS126 (620.9) o EQ12
o TS297 (365.3) o EQ36
o TS298 (656.9) o EQ36
o TS338 (498.3) o EQ45
o TS339 (509.8) o EQ47
o TS340 (340.6) o DDC92
o TS341 (443.6) o DDC93
o TS342 (462.2) o DDC94
[ EQ44 ] C2 ENERGY= 327.7 kJ/mol ( -221.2223041 Hartree)
Energy+ZPE= 343.6 kJ/mol ZPE= 0.0653928
CONNECTIONS:
o TS215 (601.2) o EQ22
o TS299 (483.9) o EQ36
o TS316 (446.9) o EQ39
o TS343 (337.4) o EQ44
o TS344 (421.3) o EQ45
o TS345 (427.0) o EQ46
o TS346 (455.5) o DDC95
o TS347 (474.8) o DDC96
o UDC26 o
o UDC27 o
[ EQ45 ] Cs ENERGY= 329.2 kJ/mol ( -221.2217120 Hartree)
Energy+ZPE= 344.4 kJ/mol ZPE= 0.0651308
CONNECTIONS:
o TS300 (458.8) o EQ36
o TS308 (385.6) o EQ37
o TS330 (461.3) o EQ41
o TS338 (498.3) o EQ43
o TS344 (421.3) o EQ44
o TS348 (345.1) o EQ46
o TS349 (431.1) o EQ47
o TS350 (629.1) o EQ56
o TS351 (593.3) o EQ58
o TS352 (554.8) o DDC97
o UDC28 o
[ EQ46 ] Cs ENERGY= 342.5 kJ/mol ( -221.2166692 Hartree)
Energy+ZPE= 358.2 kJ/mol ZPE= 0.0653143
CONNECTIONS:
o TS216 (603.2) o EQ22
o TS345 (427.0) o EQ44
o TS348 (345.1) o EQ45
o TS353 (631.6) o EQ56
o TS354 (487.4) o DDC98
o TS355 (496.4) o DDC99
o TS356 (715.3) o DDC100
o UDC29 o
o UDC30 o
[ EQ47 ] C2v ENERGY= 379.4 kJ/mol ( -221.2026070 Hartree)
Energy+ZPE= 392.1 kJ/mol ZPE= 0.0641736
CONNECTIONS:
o TS339 (509.8) o EQ43
o TS349 (431.1) o EQ45
o TS357 (406.0) o EQ47
o TS358 (531.1) o DDC101
o TS359 (533.1) o DDC102
[ EQ48 ] C1 ENERGY= 382.3 kJ/mol ( -221.2014834 Hartree)
Energy+ZPE= 387.8 kJ/mol ZPE= 0.0614325
CONNECTIONS:
o TS24 (384.1) o EQ3
o TS25 (439.3) o EQ3
o TS26 (442.4) o EQ3
o TS188 (455.6) o EQ17
o TS202 (469.9) o EQ20
o TS260 (507.0) o EQ29
o TS360 (427.9) o DDC103
o TS361 (666.2) o DDC104
o UDC31 o
[ EQ49 ] Cs ENERGY= 384.5 kJ/mol ( -221.2006628 Hartree)
Energy+ZPE= 383.2 kJ/mol ZPE= 0.0588444
CONNECTIONS:
o TS140 (412.2) o EQ13
o TS240 (500.6) o EQ26
o TS362 (394.2) o EQ49
o TS363 (390.8) o DDC105
o TS364 (426.7) o DDC106
o TS365 (578.5) o DDC107
[ EQ50 ] C1 ENERGY= 408.4 kJ/mol ( -221.1915652 Hartree)
Energy+ZPE= 415.8 kJ/mol ZPE= 0.0621447
CONNECTIONS:
o TS56 (449.6) o EQ5
o TS84 (476.8) o EQ8
o TS181 (625.6) o EQ16
o TS189 (657.0) o EQ17
o TS199 (653.3) o EQ19
o TS200 (656.8) o EQ19
o TS217 (484.0) o EQ22
o TS218 (507.4) o EQ22
o TS274 (500.3) o EQ31
o TS275 (682.1) o EQ31
o TS317 (538.5) o EQ39
o TS366 (451.2) o EQ50
o TS367 (451.3) o EQ50
o TS368 (604.8) o EQ50
o TS369 (584.1) o EQ51
o TS370 (596.6) o EQ51
o TS371 (581.8) o EQ52
o TS372 (552.4) o DDC108
o TS373 (751.1) o DDC109
o UDC32 o
[ EQ51 ] C1 ENERGY= 414.4 kJ/mol ( -221.1892822 Hartree)
Energy+ZPE= 422.5 kJ/mol ZPE= 0.0624321
CONNECTIONS:
o TS42 (484.8) o EQ4
o TS97 (448.7) o EQ9
o TS182 (631.8) o EQ16
o TS241 (524.0) o EQ26
o TS280 (528.8) o EQ32
o TS281 (613.3) o EQ32
o TS331 (531.5) o EQ41
o TS369 (584.1) o EQ50
o TS370 (596.6) o EQ50
o TS374 (426.3) o EQ52
o TS375 (442.4) o EQ52
o TS376 (454.8) o EQ52
o TS377 (556.5) o EQ52
o TS378 (549.7) o DDC110
o UDC33 o
[ EQ52 ] C1 ENERGY= 417.8 kJ/mol ( -221.1879723 Hartree)
Energy+ZPE= 425.7 kJ/mol ZPE= 0.0623567
CONNECTIONS:
o TS98 (452.2) o EQ9
o TS183 (623.6) o EQ16
o TS203 (676.0) o EQ20
o TS232 (524.6) o EQ24
o TS261 (528.2) o EQ29
o TS262 (611.5) o EQ29
o TS332 (538.0) o EQ41
o TS371 (581.8) o EQ50
o TS374 (426.3) o EQ51
o TS375 (442.4) o EQ51
o TS376 (454.8) o EQ51
o TS377 (556.5) o EQ51
o TS379 (528.0) o DDC111
o TS380 (563.0) o DDC112
o UDC34 o
[ EQ53 ] C1 ENERGY= 483.2 kJ/mol ( -221.1630762 Hartree)
Energy+ZPE= 493.2 kJ/mol ZPE= 0.0631397
CONNECTIONS:
o TS69 (681.6) o EQ6
o TS127 (533.4) o EQ12
o TS141 (519.4) o EQ13
o TS251 (493.4) o EQ28
o TS381 (500.4) o EQ54
o TS382 (572.7) o EQ55
o TS383 (588.1) o EQ56
o TS384 (697.5) o EQ57
o TS385 (518.5) o DDC113
o TS386 (529.6) o DDC114
o TS387 (603.1) o DDC115
o TS388 (651.4) o DDC116
o UDC35 o
[ EQ54 ] C1 ENERGY= 498.7 kJ/mol ( -221.1571451 Hartree)
Energy+ZPE= 508.5 kJ/mol ZPE= 0.0630797
CONNECTIONS:
o TS142 (523.0) o EQ13
o TS381 (500.4) o EQ53
o TS389 (622.0) o EQ55
o TS390 (528.7) o DDC117
o UDC36 o
o UDC37 o
[ EQ55 ] C1 ENERGY= 505.2 kJ/mol ( -221.1546975 Hartree)
Energy+ZPE= 512.1 kJ/mol ZPE= 0.0619622
CONNECTIONS:
o TS128 (537.9) o EQ12
o TS252 (513.2) o EQ28
o TS263 (559.8) o EQ29
o TS382 (572.7) o EQ53
o TS389 (622.0) o EQ54
o TS391 (526.2) o EQ56
o TS392 (539.4) o DDC118
o TS393 (589.5) o DDC119
o TS394 (648.0) o DDC120
o UDC38 o
[ EQ56 ] C1 ENERGY= 508.3 kJ/mol ( -221.1534972 Hartree)
Energy+ZPE= 519.3 kJ/mol ZPE= 0.0635140
CONNECTIONS:
o TS129 (527.2) o EQ12
o TS143 (585.8) o EQ13
o TS350 (629.1) o EQ45
o TS353 (631.6) o EQ46
o TS383 (588.1) o EQ53
o TS391 (526.2) o EQ55
o TS395 (617.0) o EQ56
o TS396 (649.6) o EQ56
o TS397 (685.8) o EQ58
o TS398 (530.4) o DDC121
o TS399 (732.7) o DDC122
[ EQ57 ] D2h ENERGY= 519.1 kJ/mol ( -221.1494103 Hartree)
Energy+ZPE= 530.0 kJ/mol ZPE= 0.0634809
CONNECTIONS:
o TS384 (697.5) o EQ53
o TS400 (646.1) o DDC123
o TS401 (664.0) o DDC124
o TS402 (689.8) o DDC125
o TS403 (700.6) o DDC126
o TS404 (726.9) o DDC127
[ EQ58 ] Cs ENERGY= 536.7 kJ/mol ( -221.1426699 Hartree)
Energy+ZPE= 540.1 kJ/mol ZPE= 0.0606128
CONNECTIONS:
o TS70 (537.6) o EQ6
o TS105 (605.3) o EQ10
o TS351 (593.3) o EQ45
o TS397 (685.8) o EQ56
o TS405 (619.7) o DDC128
o UDC39 o
[ TS0 ] Animation C1 ENERGY= 554.9 kJ/mol
Energy+ZPE= 541.9 kJ/mol ZPE= 0.0543960
CONNECTIONS:
o EQ0 o DDC0
[ TS1 ] Animation C1 ENERGY= 296.9 kJ/mol
Energy+ZPE= 298.9 kJ/mol ZPE= 0.0600975
CONNECTIONS:
o EQ1 o EQ2
[ TS2 ] Animation C1 ENERGY= 416.3 kJ/mol
Energy+ZPE= 408.4 kJ/mol ZPE= 0.0563237
CONNECTIONS:
o EQ1 o EQ2
[ TS3 ] Animation C1 ENERGY= 76.0 kJ/mol
Energy+ZPE= 83.5 kJ/mol ZPE= 0.0621880
CONNECTIONS:
o EQ1 o EQ3
[ TS4 ] Animation C1 ENERGY= 96.4 kJ/mol
Energy+ZPE= 104.8 kJ/mol ZPE= 0.0625212
CONNECTIONS:
o EQ1 o EQ3
[ TS5 ] Animation C1 ENERGY= 104.2 kJ/mol
Energy+ZPE= 112.0 kJ/mol ZPE= 0.0622859
CONNECTIONS:
o EQ1 o EQ3
[ TS6 ] Animation C1 ENERGY= 267.0 kJ/mol
Energy+ZPE= 262.5 kJ/mol ZPE= 0.0576241
CONNECTIONS:
o EQ1 o EQ7
[ TS7 ] Animation C1 ENERGY= 386.5 kJ/mol
Energy+ZPE= 382.0 kJ/mol ZPE= 0.0576095
CONNECTIONS:
o EQ1 o EQ19
[ TS8 ] Animation C1 ENERGY= 357.2 kJ/mol
Energy+ZPE= 351.8 kJ/mol ZPE= 0.0572903
CONNECTIONS:
o EQ1 o DDC1
[ TS9 ] Animation C1 ENERGY= 411.3 kJ/mol
Energy+ZPE= 407.5 kJ/mol ZPE= 0.0578990
CONNECTIONS:
o EQ1 o DDC2
[ TS10 ] Animation C1 ENERGY= 492.2 kJ/mol
Energy+ZPE= 465.8 kJ/mol ZPE= 0.0492733
CONNECTIONS:
o EQ1 o DDC3
[ TS11 ] Animation Cs ENERGY= 87.2 kJ/mol
Energy+ZPE= 93.7 kJ/mol ZPE= 0.0618254
CONNECTIONS:
o EQ2 o EQ2
[ TS12 ] Animation Cs ENERGY= 88.5 kJ/mol
Energy+ZPE= 96.7 kJ/mol ZPE= 0.0624646
CONNECTIONS:
o EQ2 o EQ2
[ TS13 ] Animation C1 ENERGY= 129.0 kJ/mol
Energy+ZPE= 134.5 kJ/mol ZPE= 0.0614334
CONNECTIONS:
o EQ2 o EQ2
[ TS14 ] Animation C1 ENERGY= 297.9 kJ/mol
Energy+ZPE= 299.3 kJ/mol ZPE= 0.0598516
CONNECTIONS:
o EQ2 o EQ3
[ TS15 ] Animation C1 ENERGY= 343.1 kJ/mol
Energy+ZPE= 340.2 kJ/mol ZPE= 0.0582158
CONNECTIONS:
o EQ2 o EQ12
[ TS16 ] Animation C1 ENERGY= 355.8 kJ/mol
Energy+ZPE= 351.6 kJ/mol ZPE= 0.0577218
CONNECTIONS:
o EQ2 o EQ13
[ TS17 ] Animation C1 ENERGY= 370.5 kJ/mol
Energy+ZPE= 364.6 kJ/mol ZPE= 0.0570879
CONNECTIONS:
o EQ2 o EQ13
[ TS18 ] Animation C1 ENERGY= 428.6 kJ/mol
Energy+ZPE= 416.4 kJ/mol ZPE= 0.0546833
CONNECTIONS:
o EQ2 o EQ20
[ TS19 ] Animation Cs ENERGY= 161.9 kJ/mol
Energy+ZPE= 159.1 kJ/mol ZPE= 0.0582630
CONNECTIONS:
o EQ2 o DDC4
[ TS20 ] Animation C1 ENERGY= 266.8 kJ/mol
Energy+ZPE= 262.5 kJ/mol ZPE= 0.0576779
CONNECTIONS:
o EQ3 o EQ5
[ TS21 ] Animation C1 ENERGY= 366.9 kJ/mol
Energy+ZPE= 360.4 kJ/mol ZPE= 0.0568581
CONNECTIONS:
o EQ3 o EQ16
[ TS22 ] Animation C1 ENERGY= 458.8 kJ/mol
Energy+ZPE= 458.6 kJ/mol ZPE= 0.0592699
CONNECTIONS:
o EQ3 o EQ20
[ TS23 ] Animation C1 ENERGY= 481.8 kJ/mol
Energy+ZPE= 475.1 kJ/mol ZPE= 0.0567748
CONNECTIONS:
o EQ3 o EQ29
[ TS24 ] Animation C1 ENERGY= 384.1 kJ/mol
Energy+ZPE= 386.4 kJ/mol ZPE= 0.0601925
CONNECTIONS:
o EQ3 o EQ48
[ TS25 ] Animation C1 ENERGY= 439.3 kJ/mol
Energy+ZPE= 442.5 kJ/mol ZPE= 0.0605471
CONNECTIONS:
o EQ3 o EQ48
[ TS26 ] Animation C1 ENERGY= 442.4 kJ/mol
Energy+ZPE= 444.9 kJ/mol ZPE= 0.0602708
CONNECTIONS:
o EQ3 o EQ48
[ TS27 ] Animation C1 ENERGY= 413.6 kJ/mol
Energy+ZPE= 391.6 kJ/mol ZPE= 0.0509622
CONNECTIONS:
o EQ3 o DDC5
[ TS28 ] Animation Cs ENERGY= 93.6 kJ/mol
Energy+ZPE= 104.3 kJ/mol ZPE= 0.0634084
CONNECTIONS:
o EQ4 o EQ4
[ TS29 ] Animation C1 ENERGY= 366.8 kJ/mol
Energy+ZPE= 364.2 kJ/mol ZPE= 0.0583481
CONNECTIONS:
o EQ4 o EQ4
[ TS30 ] Animation C1 ENERGY= 159.3 kJ/mol
Energy+ZPE= 169.0 kJ/mol ZPE= 0.0630261
CONNECTIONS:
o EQ4 o EQ5
[ TS31 ] Animation C1 ENERGY= 168.0 kJ/mol
Energy+ZPE= 176.7 kJ/mol ZPE= 0.0626404
CONNECTIONS:
o EQ4 o EQ5
[ TS32 ] Animation C1 ENERGY= 276.5 kJ/mol
Energy+ZPE= 279.0 kJ/mol ZPE= 0.0602862
CONNECTIONS:
o EQ4 o EQ8
[ TS33 ] Animation C1 ENERGY= 126.3 kJ/mol
Energy+ZPE= 135.9 kJ/mol ZPE= 0.0629795
CONNECTIONS:
o EQ4 o EQ10
[ TS34 ] Animation C1 ENERGY= 128.3 kJ/mol
Energy+ZPE= 138.1 kJ/mol ZPE= 0.0630760
CONNECTIONS:
o EQ4 o EQ10
[ TS35 ] Animation C1 ENERGY= 133.7 kJ/mol
Energy+ZPE= 141.2 kJ/mol ZPE= 0.0621956
CONNECTIONS:
o EQ4 o EQ10
[ TS36 ] Animation C1 ENERGY= 200.2 kJ/mol
Energy+ZPE= 198.5 kJ/mol ZPE= 0.0586698
CONNECTIONS:
o EQ4 o EQ12
[ TS37 ] Animation C1 ENERGY= 319.4 kJ/mol
Energy+ZPE= 314.6 kJ/mol ZPE= 0.0575134
CONNECTIONS:
o EQ4 o EQ12
[ TS38 ] Animation C1 ENERGY= 435.1 kJ/mol
Energy+ZPE= 429.7 kJ/mol ZPE= 0.0572731
CONNECTIONS:
o EQ4 o EQ21
[ TS39 ] Animation C1 ENERGY= 401.1 kJ/mol
Energy+ZPE= 392.8 kJ/mol ZPE= 0.0561671
CONNECTIONS:
o EQ4 o EQ22
[ TS40 ] Animation C1 ENERGY= 263.8 kJ/mol
Energy+ZPE= 256.2 kJ/mol ZPE= 0.0564473
CONNECTIONS:
o EQ4 o EQ30
[ TS41 ] Animation C1 ENERGY= 284.3 kJ/mol
Energy+ZPE= 275.2 kJ/mol ZPE= 0.0558549
CONNECTIONS:
o EQ4 o EQ33
[ TS42 ] Animation C1 ENERGY= 484.8 kJ/mol
Energy+ZPE= 484.5 kJ/mol ZPE= 0.0592249
CONNECTIONS:
o EQ4 o EQ51
[ TS43 ] Animation C1 ENERGY= 305.6 kJ/mol
Energy+ZPE= 293.3 kJ/mol ZPE= 0.0546537
CONNECTIONS:
o EQ4 o DDC6
[ TS44 ] Animation C1 ENERGY= 308.0 kJ/mol
Energy+ZPE= 301.0 kJ/mol ZPE= 0.0566752
CONNECTIONS:
o EQ4 o DDC7
[ TS45 ] Animation C1 ENERGY= 443.8 kJ/mol
Energy+ZPE= 423.0 kJ/mol ZPE= 0.0513991
CONNECTIONS:
o EQ4 o DDC8
[ TS46 ] Animation Cs ENERGY= 106.6 kJ/mol
Energy+ZPE= 116.0 kJ/mol ZPE= 0.0629031
CONNECTIONS:
o EQ5 o EQ5
[ TS47 ] Animation C1 ENERGY= 128.9 kJ/mol
Energy+ZPE= 136.5 kJ/mol ZPE= 0.0622332
CONNECTIONS:
o EQ5 o EQ7
[ TS48 ] Animation C1 ENERGY= 131.9 kJ/mol
Energy+ZPE= 141.3 kJ/mol ZPE= 0.0629003
CONNECTIONS:
o EQ5 o EQ7
[ TS49 ] Animation C1 ENERGY= 145.2 kJ/mol
Energy+ZPE= 153.1 kJ/mol ZPE= 0.0623562
CONNECTIONS:
o EQ5 o EQ7
[ TS50 ] Animation C1 ENERGY= 293.9 kJ/mol
Energy+ZPE= 294.2 kJ/mol ZPE= 0.0594325
CONNECTIONS:
o EQ5 o EQ9
[ TS51 ] Animation C1 ENERGY= 530.5 kJ/mol
Energy+ZPE= 523.3 kJ/mol ZPE= 0.0565865
CONNECTIONS:
o EQ5 o EQ14
[ TS52 ] Animation C1 ENERGY= 428.7 kJ/mol
Energy+ZPE= 425.3 kJ/mol ZPE= 0.0580256
CONNECTIONS:
o EQ5 o EQ15
[ TS53 ] Animation C1 ENERGY= 359.3 kJ/mol
Energy+ZPE= 351.4 kJ/mol ZPE= 0.0563316
CONNECTIONS:
o EQ5 o EQ27
[ TS54 ] Animation C1 ENERGY= 328.7 kJ/mol
Energy+ZPE= 323.8 kJ/mol ZPE= 0.0574788
CONNECTIONS:
o EQ5 o EQ35
[ TS55 ] Animation C1 ENERGY= 359.9 kJ/mol
Energy+ZPE= 355.6 kJ/mol ZPE= 0.0576788
CONNECTIONS:
o EQ5 o EQ39
[ TS56 ] Animation C1 ENERGY= 449.6 kJ/mol
Energy+ZPE= 450.6 kJ/mol ZPE= 0.0596981
CONNECTIONS:
o EQ5 o EQ50
[ TS57 ] Animation C1 ENERGY= 322.4 kJ/mol
Energy+ZPE= 318.4 kJ/mol ZPE= 0.0578160
CONNECTIONS:
o EQ5 o DDC9
[ TS58 ] Animation C1 ENERGY= 430.9 kJ/mol
Energy+ZPE= 424.6 kJ/mol ZPE= 0.0569294
CONNECTIONS:
o EQ5 o DDC10
[ TS59 ] Animation C1 ENERGY= 444.7 kJ/mol
Energy+ZPE= 423.8 kJ/mol ZPE= 0.0513773
CONNECTIONS:
o EQ5 o DDC11
[ TS60 ] Animation Cs ENERGY= 120.8 kJ/mol
Energy+ZPE= 129.3 kJ/mol ZPE= 0.0625805
CONNECTIONS:
o EQ6 o EQ6
[ TS61 ] Animation Cs ENERGY= 470.2 kJ/mol
Energy+ZPE= 467.1 kJ/mol ZPE= 0.0581516
CONNECTIONS:
o EQ6 o EQ6
[ TS62 ] Animation C2 ENERGY= 598.2 kJ/mol
Energy+ZPE= 605.5 kJ/mol ZPE= 0.0621095
CONNECTIONS:
o EQ6 o EQ6
[ TS63 ] Animation C1 ENERGY= 128.1 kJ/mol
Energy+ZPE= 135.2 kJ/mol ZPE= 0.0620226
CONNECTIONS:
o EQ6 o EQ8
[ TS64 ] Animation C1 ENERGY= 148.9 kJ/mol
Energy+ZPE= 157.0 kJ/mol ZPE= 0.0624090
CONNECTIONS:
o EQ6 o EQ8
[ TS65 ] Animation C1 ENERGY= 163.5 kJ/mol
Energy+ZPE= 169.8 kJ/mol ZPE= 0.0617446
CONNECTIONS:
o EQ6 o EQ8
[ TS66 ] Animation C1 ENERGY= 312.5 kJ/mol
Energy+ZPE= 311.6 kJ/mol ZPE= 0.0589967
CONNECTIONS:
o EQ6 o EQ10
[ TS67 ] Animation C1 ENERGY= 168.6 kJ/mol
Energy+ZPE= 176.1 kJ/mol ZPE= 0.0621724
CONNECTIONS:
o EQ6 o EQ11
[ TS68 ] Animation C1 ENERGY= 362.4 kJ/mol
Energy+ZPE= 356.6 kJ/mol ZPE= 0.0571270
CONNECTIONS:
o EQ6 o EQ13
[ TS69 ] Animation C1 ENERGY= 681.6 kJ/mol
Energy+ZPE= 679.0 kJ/mol ZPE= 0.0583443
CONNECTIONS:
o EQ6 o EQ53
[ TS70 ] Animation C1 ENERGY= 537.6 kJ/mol
Energy+ZPE= 537.8 kJ/mol ZPE= 0.0593973
CONNECTIONS:
o EQ6 o EQ58
[ TS71 ] Animation C1 ENERGY= 148.5 kJ/mol
Energy+ZPE= 146.7 kJ/mol ZPE= 0.0586494
CONNECTIONS:
o EQ6 o DDC12
[ TS72 ] Animation C1 ENERGY= 440.6 kJ/mol
Energy+ZPE= 418.1 kJ/mol ZPE= 0.0507669
CONNECTIONS:
o EQ6 o DDC13
[ TS73 ] Animation Cs ENERGY= 118.7 kJ/mol
Energy+ZPE= 127.7 kJ/mol ZPE= 0.0627540
CONNECTIONS:
o EQ7 o EQ7
[ TS74 ] Animation C1 ENERGY= 177.9 kJ/mol
Energy+ZPE= 186.1 kJ/mol ZPE= 0.0624733
CONNECTIONS:
o EQ7 o EQ10
[ TS75 ] Animation C1 ENERGY= 183.2 kJ/mol
Energy+ZPE= 191.0 kJ/mol ZPE= 0.0623019
CONNECTIONS:
o EQ7 o EQ10
[ TS76 ] Animation C1 ENERGY= 307.8 kJ/mol
Energy+ZPE= 307.4 kJ/mol ZPE= 0.0591952
CONNECTIONS:
o EQ7 o EQ11
[ TS77 ] Animation C1 ENERGY= 398.7 kJ/mol
Energy+ZPE= 395.7 kJ/mol ZPE= 0.0581838
CONNECTIONS:
o EQ7 o EQ19
[ TS78 ] Animation C1 ENERGY= 550.9 kJ/mol
Energy+ZPE= 544.9 kJ/mol ZPE= 0.0570600
CONNECTIONS:
o EQ7 o EQ29
[ TS79 ] Animation C1 ENERGY= 428.2 kJ/mol
Energy+ZPE= 429.1 kJ/mol ZPE= 0.0596887
CONNECTIONS:
o EQ7 o DDC14
[ TS80 ] Animation Cs ENERGY= 119.6 kJ/mol
Energy+ZPE= 128.2 kJ/mol ZPE= 0.0625976
CONNECTIONS:
o EQ8 o EQ8
[ TS81 ] Animation C1 ENERGY= 152.7 kJ/mol
Energy+ZPE= 161.5 kJ/mol ZPE= 0.0626787
CONNECTIONS:
o EQ8 o EQ9
[ TS82 ] Animation C1 ENERGY= 193.5 kJ/mol
Energy+ZPE= 198.5 kJ/mol ZPE= 0.0612427
CONNECTIONS:
o EQ8 o EQ9
[ TS83 ] Animation C1 ENERGY= 449.6 kJ/mol
Energy+ZPE= 444.0 kJ/mol ZPE= 0.0572040
CONNECTIONS:
o EQ8 o EQ15
[ TS84 ] Animation C1 ENERGY= 476.8 kJ/mol
Energy+ZPE= 478.5 kJ/mol ZPE= 0.0599959
CONNECTIONS:
o EQ8 o EQ50
[ TS85 ] Animation C1 ENERGY= 225.0 kJ/mol
Energy+ZPE= 208.0 kJ/mol ZPE= 0.0528516
CONNECTIONS:
o EQ8 o DDC15
[ TS86 ] Animation C1 ENERGY= 345.6 kJ/mol
Energy+ZPE= 334.7 kJ/mol ZPE= 0.0551899
CONNECTIONS:
o EQ8 o DDC16
[ TS87 ] Animation Cs ENERGY= 125.2 kJ/mol
Energy+ZPE= 132.0 kJ/mol ZPE= 0.0619411
CONNECTIONS:
o EQ9 o EQ9
[ TS88 ] Animation C1 ENERGY= 148.6 kJ/mol
Energy+ZPE= 153.2 kJ/mol ZPE= 0.0610731
CONNECTIONS:
o EQ9 o EQ11
[ TS89 ] Animation C1 ENERGY= 153.9 kJ/mol
Energy+ZPE= 160.4 kJ/mol ZPE= 0.0618255
CONNECTIONS:
o EQ9 o EQ11
[ TS90 ] Animation C1 ENERGY= 167.1 kJ/mol
Energy+ZPE= 172.5 kJ/mol ZPE= 0.0613793
CONNECTIONS:
o EQ9 o EQ11
[ TS91 ] Animation C1 ENERGY= 458.1 kJ/mol
Energy+ZPE= 451.8 kJ/mol ZPE= 0.0569390
CONNECTIONS:
o EQ9 o EQ14
[ TS92 ] Animation C1 ENERGY= 402.5 kJ/mol
Energy+ZPE= 396.6 kJ/mol ZPE= 0.0570861
CONNECTIONS:
o EQ9 o EQ16
[ TS93 ] Animation C1 ENERGY= 355.6 kJ/mol
Energy+ZPE= 346.7 kJ/mol ZPE= 0.0559410
CONNECTIONS:
o EQ9 o EQ25
[ TS94 ] Animation C1 ENERGY= 457.6 kJ/mol
Energy+ZPE= 448.6 kJ/mol ZPE= 0.0558860
CONNECTIONS:
o EQ9 o EQ35
[ TS95 ] Animation C1 ENERGY= 471.3 kJ/mol
Energy+ZPE= 461.0 kJ/mol ZPE= 0.0554112
CONNECTIONS:
o EQ9 o EQ35
[ TS96 ] Animation C1 ENERGY= 375.8 kJ/mol
Energy+ZPE= 370.1 kJ/mol ZPE= 0.0571482
CONNECTIONS:
o EQ9 o EQ41
[ TS97 ] Animation C1 ENERGY= 448.7 kJ/mol
Energy+ZPE= 451.7 kJ/mol ZPE= 0.0604758
CONNECTIONS:
o EQ9 o EQ51
[ TS98 ] Animation C1 ENERGY= 452.2 kJ/mol
Energy+ZPE= 454.7 kJ/mol ZPE= 0.0602734
CONNECTIONS:
o EQ9 o EQ52
[ TS99 ] Animation C1 ENERGY= 233.8 kJ/mol
Energy+ZPE= 229.1 kJ/mol ZPE= 0.0575355
CONNECTIONS:
o EQ9 o DDC17
[ TS100 ] Animation C1 ENERGY= 297.4 kJ/mol
Energy+ZPE= 275.2 kJ/mol ZPE= 0.0508956
CONNECTIONS:
o EQ9 o DDC18
[ TS101 ] Animation C1 ENERGY= 315.0 kJ/mol
Energy+ZPE= 311.5 kJ/mol ZPE= 0.0580098
CONNECTIONS:
o EQ9 o DDC19
[ TS102 ] Animation C1 ENERGY= 321.8 kJ/mol
Energy+ZPE= 316.8 kJ/mol ZPE= 0.0574177
CONNECTIONS:
o EQ9 o DDC20
[ TS103 ] Animation C1 ENERGY= 467.7 kJ/mol
Energy+ZPE= 443.7 kJ/mol ZPE= 0.0501974
CONNECTIONS:
o EQ9 o DDC21
[ TS104 ] Animation Cs ENERGY= 128.8 kJ/mol
Energy+ZPE= 137.1 kJ/mol ZPE= 0.0625072
CONNECTIONS:
o EQ10 o EQ10
[ TS105 ] Animation Cs ENERGY= 605.3 kJ/mol
Energy+ZPE= 610.6 kJ/mol ZPE= 0.0613696
CONNECTIONS:
o EQ10 o EQ58
[ TS106 ] Animation C1 ENERGY= 355.3 kJ/mol
Energy+ZPE= 346.7 kJ/mol ZPE= 0.0560467
CONNECTIONS:
o EQ10 o DDC22
[ TS107 ] Animation C1 ENERGY= 443.8 kJ/mol
Energy+ZPE= 437.7 kJ/mol ZPE= 0.0570103
CONNECTIONS:
o EQ10 o DDC23
[ TS108 ] Animation Cs ENERGY= 141.2 kJ/mol
Energy+ZPE= 147.0 kJ/mol ZPE= 0.0615596
CONNECTIONS:
o EQ11 o EQ11
[ TS109 ] Animation C1 ENERGY= 400.6 kJ/mol
Energy+ZPE= 393.5 kJ/mol ZPE= 0.0566292
CONNECTIONS:
o EQ11 o EQ16
[ TS110 ] Animation C1 ENERGY= 505.7 kJ/mol
Energy+ZPE= 496.4 kJ/mol ZPE= 0.0558045
CONNECTIONS:
o EQ11 o EQ19
[ TS111 ] Animation C1 ENERGY= 240.3 kJ/mol
Energy+ZPE= 235.8 kJ/mol ZPE= 0.0576253
CONNECTIONS:
o EQ11 o DDC24
[ TS112 ] Animation C1 ENERGY= 321.3 kJ/mol
Energy+ZPE= 302.6 kJ/mol ZPE= 0.0522241
CONNECTIONS:
o EQ11 o DDC25
[ TS113 ] Animation Cs ENERGY= 153.7 kJ/mol
Energy+ZPE= 162.9 kJ/mol ZPE= 0.0628479
CONNECTIONS:
o EQ12 o EQ12
[ TS114 ] Animation Cs ENERGY= 178.4 kJ/mol
Energy+ZPE= 188.6 kJ/mol ZPE= 0.0632334
CONNECTIONS:
o EQ12 o EQ12
[ TS115 ] Animation Cs ENERGY= 191.9 kJ/mol
Energy+ZPE= 202.8 kJ/mol ZPE= 0.0634806
CONNECTIONS:
o EQ12 o EQ12
[ TS116 ] Animation C1 ENERGY= 204.0 kJ/mol
Energy+ZPE= 209.3 kJ/mol ZPE= 0.0613686
CONNECTIONS:
o EQ12 o EQ13
[ TS117 ] Animation C1 ENERGY= 660.2 kJ/mol
Energy+ZPE= 632.8 kJ/mol ZPE= 0.0488999
CONNECTIONS:
o EQ12 o EQ15
[ TS118 ] Animation C1 ENERGY= 339.2 kJ/mol
Energy+ZPE= 344.8 kJ/mol ZPE= 0.0614817
CONNECTIONS:
o EQ12 o EQ19
[ TS119 ] Animation C1 ENERGY= 495.8 kJ/mol
Energy+ZPE= 492.3 kJ/mol ZPE= 0.0580009
CONNECTIONS:
o EQ12 o EQ22
[ TS120 ] Animation C1 ENERGY= 554.6 kJ/mol
Energy+ZPE= 550.3 kJ/mol ZPE= 0.0576840
CONNECTIONS:
o EQ12 o EQ22
[ TS121 ] Animation C1 ENERGY= 435.8 kJ/mol
Energy+ZPE= 436.9 kJ/mol ZPE= 0.0597340
CONNECTIONS:
o EQ12 o EQ31
[ TS122 ] Animation C1 ENERGY= 383.4 kJ/mol
Energy+ZPE= 387.5 kJ/mol ZPE= 0.0608821
CONNECTIONS:
o EQ12 o EQ32
[ TS123 ] Animation C1 ENERGY= 452.0 kJ/mol
Energy+ZPE= 453.8 kJ/mol ZPE= 0.0600214
CONNECTIONS:
o EQ12 o EQ34
[ TS124 ] Animation C1 ENERGY= 433.8 kJ/mol
Energy+ZPE= 430.2 kJ/mol ZPE= 0.0579755
CONNECTIONS:
o EQ12 o EQ36
[ TS125 ] Animation C1 ENERGY= 457.6 kJ/mol
Energy+ZPE= 455.1 kJ/mol ZPE= 0.0583845
CONNECTIONS:
o EQ12 o EQ43
[ TS126 ] Animation C1 ENERGY= 620.9 kJ/mol
Energy+ZPE= 603.0 kJ/mol ZPE= 0.0525266
CONNECTIONS:
o EQ12 o EQ43
[ TS127 ] Animation C1 ENERGY= 533.4 kJ/mol
Energy+ZPE= 535.4 kJ/mol ZPE= 0.0600992
CONNECTIONS:
o EQ12 o EQ53
[ TS128 ] Animation C1 ENERGY= 537.9 kJ/mol
Energy+ZPE= 539.9 kJ/mol ZPE= 0.0600882
CONNECTIONS:
o EQ12 o EQ55
[ TS129 ] Animation C1 ENERGY= 527.2 kJ/mol
Energy+ZPE= 533.1 kJ/mol ZPE= 0.0615721
CONNECTIONS:
o EQ12 o EQ56
[ TS130 ] Animation C1 ENERGY= 551.2 kJ/mol
Energy+ZPE= 527.1 kJ/mol ZPE= 0.0501565
CONNECTIONS:
o EQ12 o DDC26
[ TS131 ] Animation Cs ENERGY= 150.6 kJ/mol
Energy+ZPE= 163.3 kJ/mol ZPE= 0.0641842
CONNECTIONS:
o EQ13 o EQ13
[ TS132 ] Animation C1 ENERGY= 177.2 kJ/mol
Energy+ZPE= 184.9 kJ/mol ZPE= 0.0622574
CONNECTIONS:
o EQ13 o EQ13
[ TS133 ] Animation Cs ENERGY= 304.1 kJ/mol
Energy+ZPE= 313.1 kJ/mol ZPE= 0.0627595
CONNECTIONS:
o EQ13 o EQ13
[ TS134 ] Animation C1 ENERGY= 312.3 kJ/mol
Energy+ZPE= 319.6 kJ/mol ZPE= 0.0620958
CONNECTIONS:
o EQ13 o EQ16
[ TS135 ] Animation C1 ENERGY= 333.0 kJ/mol
Energy+ZPE= 337.9 kJ/mol ZPE= 0.0611892
CONNECTIONS:
o EQ13 o EQ16
[ TS136 ] Animation C1 ENERGY= 176.5 kJ/mol
Energy+ZPE= 186.7 kJ/mol ZPE= 0.0632096
CONNECTIONS:
o EQ13 o EQ18
[ TS137 ] Animation C1 ENERGY= 546.8 kJ/mol
Energy+ZPE= 542.6 kJ/mol ZPE= 0.0577354
CONNECTIONS:
o EQ13 o EQ28
[ TS138 ] Animation C1 ENERGY= 382.3 kJ/mol
Energy+ZPE= 386.2 kJ/mol ZPE= 0.0608176
CONNECTIONS:
o EQ13 o EQ31
[ TS139 ] Animation C1 ENERGY= 412.2 kJ/mol
Energy+ZPE= 410.7 kJ/mol ZPE= 0.0587675
CONNECTIONS:
o EQ13 o EQ36
[ TS140 ] Animation C1 ENERGY= 412.2 kJ/mol
Energy+ZPE= 414.6 kJ/mol ZPE= 0.0602541
CONNECTIONS:
o EQ13 o EQ49
[ TS141 ] Animation C1 ENERGY= 519.4 kJ/mol
Energy+ZPE= 523.5 kJ/mol ZPE= 0.0608827
CONNECTIONS:
o EQ13 o EQ53
[ TS142 ] Animation C1 ENERGY= 523.0 kJ/mol
Energy+ZPE= 529.1 kJ/mol ZPE= 0.0616493
CONNECTIONS:
o EQ13 o EQ54
[ TS143 ] Animation C1 ENERGY= 585.8 kJ/mol
Energy+ZPE= 588.0 kJ/mol ZPE= 0.0601786
CONNECTIONS:
o EQ13 o EQ56
[ TS144 ] Animation Cs ENERGY= 300.7 kJ/mol
Energy+ZPE= 296.9 kJ/mol ZPE= 0.0578857
CONNECTIONS:
o EQ13 o DDC27
[ TS145 ] Animation Cs ENERGY= 398.8 kJ/mol
Energy+ZPE= 387.4 kJ/mol ZPE= 0.0549942
CONNECTIONS:
o EQ13 o DDC28
[ TS146 ] Animation C1 ENERGY= 498.6 kJ/mol
Energy+ZPE= 475.5 kJ/mol ZPE= 0.0505529
CONNECTIONS:
o EQ13 o DDC29
[ TS147 ] Animation Cs ENERGY= 165.4 kJ/mol
Energy+ZPE= 174.5 kJ/mol ZPE= 0.0627946
CONNECTIONS:
o EQ14 o EQ14
[ TS148 ] Animation Cs ENERGY= 177.4 kJ/mol
Energy+ZPE= 188.6 kJ/mol ZPE= 0.0636115
CONNECTIONS:
o EQ14 o EQ14
[ TS149 ] Animation C1 ENERGY= 239.8 kJ/mol
Energy+ZPE= 247.3 kJ/mol ZPE= 0.0621755
CONNECTIONS:
o EQ14 o EQ15
[ TS150 ] Animation C1 ENERGY= 248.2 kJ/mol
Energy+ZPE= 254.8 kJ/mol ZPE= 0.0618634
CONNECTIONS:
o EQ14 o EQ15
[ TS151 ] Animation C1 ENERGY= 313.5 kJ/mol
Energy+ZPE= 311.2 kJ/mol ZPE= 0.0584611
CONNECTIONS:
o EQ14 o EQ15
[ TS152 ] Animation C1 ENERGY= 415.5 kJ/mol
Energy+ZPE= 420.1 kJ/mol ZPE= 0.0610720
CONNECTIONS:
o EQ14 o EQ29
[ TS153 ] Animation C1 ENERGY= 415.8 kJ/mol
Energy+ZPE= 420.4 kJ/mol ZPE= 0.0610744
CONNECTIONS:
o EQ14 o EQ29
[ TS154 ] Animation C1 ENERGY= 598.5 kJ/mol
Energy+ZPE= 577.0 kJ/mol ZPE= 0.0511577
CONNECTIONS:
o EQ14 o DDC30
[ TS155 ] Animation Cs ENERGY= 159.4 kJ/mol
Energy+ZPE= 171.0 kJ/mol ZPE= 0.0637386
CONNECTIONS:
o EQ15 o EQ15
[ TS156 ] Animation Cs ENERGY= 178.5 kJ/mol
Energy+ZPE= 186.3 kJ/mol ZPE= 0.0622876
CONNECTIONS:
o EQ15 o EQ15
[ TS157 ] Animation Cs ENERGY= 188.7 kJ/mol
Energy+ZPE= 198.8 kJ/mol ZPE= 0.0631881
CONNECTIONS:
o EQ15 o EQ15
[ TS158 ] Animation C1 ENERGY= 359.3 kJ/mol
Energy+ZPE= 356.4 kJ/mol ZPE= 0.0582264
CONNECTIONS:
o EQ15 o EQ17
[ TS159 ] Animation C1 ENERGY= 372.3 kJ/mol
Energy+ZPE= 368.1 kJ/mol ZPE= 0.0577344
CONNECTIONS:
o EQ15 o EQ20
[ TS160 ] Animation C1 ENERGY= 274.0 kJ/mol
Energy+ZPE= 278.8 kJ/mol ZPE= 0.0611580
CONNECTIONS:
o EQ15 o EQ21
[ TS161 ] Animation C1 ENERGY= 278.2 kJ/mol
Energy+ZPE= 282.6 kJ/mol ZPE= 0.0610163
CONNECTIONS:
o EQ15 o EQ21
[ TS162 ] Animation C1 ENERGY= 418.9 kJ/mol
Energy+ZPE= 423.3 kJ/mol ZPE= 0.0610038
CONNECTIONS:
o EQ15 o EQ31
[ TS163 ] Animation C1 ENERGY= 423.4 kJ/mol
Energy+ZPE= 426.9 kJ/mol ZPE= 0.0606584
CONNECTIONS:
o EQ15 o EQ31
[ TS164 ] Animation C1 ENERGY= 425.9 kJ/mol
Energy+ZPE= 428.5 kJ/mol ZPE= 0.0603199
CONNECTIONS:
o EQ15 o EQ34
[ TS165 ] Animation C1 ENERGY= 567.6 kJ/mol
Energy+ZPE= 558.7 kJ/mol ZPE= 0.0559251
CONNECTIONS:
o EQ15 o EQ35
[ TS166 ] Animation C1 ENERGY= 442.0 kJ/mol
Energy+ZPE= 443.6 kJ/mol ZPE= 0.0599565
CONNECTIONS:
o EQ15 o EQ40
[ TS167 ] Animation C1 ENERGY= 532.3 kJ/mol
Energy+ZPE= 527.7 kJ/mol ZPE= 0.0575688
CONNECTIONS:
o EQ15 o DDC31
[ TS168 ] Animation Cs ENERGY= 191.0 kJ/mol
Energy+ZPE= 199.0 kJ/mol ZPE= 0.0623625
CONNECTIONS:
o EQ16 o EQ16
[ TS169 ] Animation C1 ENERGY= 199.0 kJ/mol
Energy+ZPE= 205.1 kJ/mol ZPE= 0.0616385
CONNECTIONS:
o EQ16 o EQ16
[ TS170 ] Animation C1 ENERGY= 281.5 kJ/mol
Energy+ZPE= 283.4 kJ/mol ZPE= 0.0600467
CONNECTIONS:
o EQ16 o EQ19
[ TS171 ] Animation C1 ENERGY= 283.5 kJ/mol
Energy+ZPE= 285.3 kJ/mol ZPE= 0.0600250
CONNECTIONS:
o EQ16 o EQ19
[ TS172 ] Animation C1 ENERGY= 599.0 kJ/mol
Energy+ZPE= 598.9 kJ/mol ZPE= 0.0592919
CONNECTIONS:
o EQ16 o EQ19
[ TS173 ] Animation Cs ENERGY= 266.3 kJ/mol
Energy+ZPE= 264.0 kJ/mol ZPE= 0.0584742
CONNECTIONS:
o EQ16 o EQ25
[ TS174 ] Animation C1 ENERGY= 392.8 kJ/mol
Energy+ZPE= 385.5 kJ/mol ZPE= 0.0565627
CONNECTIONS:
o EQ16 o EQ26
[ TS175 ] Animation C1 ENERGY= 347.9 kJ/mol
Energy+ZPE= 350.7 kJ/mol ZPE= 0.0604126
CONNECTIONS:
o EQ16 o EQ32
[ TS176 ] Animation C1 ENERGY= 348.0 kJ/mol
Energy+ZPE= 350.4 kJ/mol ZPE= 0.0602359
CONNECTIONS:
o EQ16 o EQ32
[ TS177 ] Animation C1 ENERGY= 369.9 kJ/mol
Energy+ZPE= 372.1 kJ/mol ZPE= 0.0601655
CONNECTIONS:
o EQ16 o EQ34
[ TS178 ] Animation C1 ENERGY= 368.7 kJ/mol
Energy+ZPE= 371.3 kJ/mol ZPE= 0.0603219
CONNECTIONS:
o EQ16 o EQ40
[ TS179 ] Animation C1 ENERGY= 440.5 kJ/mol
Energy+ZPE= 436.3 kJ/mol ZPE= 0.0577375
CONNECTIONS:
o EQ16 o EQ41
[ TS180 ] Animation C1 ENERGY= 468.7 kJ/mol
Energy+ZPE= 461.8 kJ/mol ZPE= 0.0567210
CONNECTIONS:
o EQ16 o EQ42
[ TS181 ] Animation C1 ENERGY= 625.6 kJ/mol
Energy+ZPE= 616.6 kJ/mol ZPE= 0.0559118
CONNECTIONS:
o EQ16 o EQ50
[ TS182 ] Animation C1 ENERGY= 631.8 kJ/mol
Energy+ZPE= 630.3 kJ/mol ZPE= 0.0587650
CONNECTIONS:
o EQ16 o EQ51
[ TS183 ] Animation C1 ENERGY= 623.6 kJ/mol
Energy+ZPE= 620.3 kJ/mol ZPE= 0.0580841
CONNECTIONS:
o EQ16 o EQ52
[ TS184 ] Animation C1 ENERGY= 501.6 kJ/mol
Energy+ZPE= 478.9 kJ/mol ZPE= 0.0506797
CONNECTIONS:
o EQ16 o DDC32
[ TS185 ] Animation C1 ENERGY= 192.3 kJ/mol
Energy+ZPE= 199.0 kJ/mol ZPE= 0.0618656
CONNECTIONS:
o EQ17 o EQ20
[ TS186 ] Animation C1 ENERGY= 204.6 kJ/mol
Energy+ZPE= 209.4 kJ/mol ZPE= 0.0611564
CONNECTIONS:
o EQ17 o EQ20
[ TS187 ] Animation C1 ENERGY= 212.1 kJ/mol
Energy+ZPE= 217.2 kJ/mol ZPE= 0.0612592
CONNECTIONS:
o EQ17 o EQ20
[ TS188 ] Animation C1 ENERGY= 455.6 kJ/mol
Energy+ZPE= 455.7 kJ/mol ZPE= 0.0593731
CONNECTIONS:
o EQ17 o EQ48
[ TS189 ] Animation C1 ENERGY= 657.0 kJ/mol
Energy+ZPE= 645.5 kJ/mol ZPE= 0.0549648
CONNECTIONS:
o EQ17 o EQ50
[ TS190 ] Animation C1 ENERGY= 277.5 kJ/mol
Energy+ZPE= 266.8 kJ/mol ZPE= 0.0552567
CONNECTIONS:
o EQ17 o DDC33
[ TS191 ] Animation C1 ENERGY= 600.7 kJ/mol
Energy+ZPE= 576.4 kJ/mol ZPE= 0.0500884
CONNECTIONS:
o EQ17 o DDC34
[ TS192 ] Animation Cs ENERGY= 222.0 kJ/mol
Energy+ZPE= 228.3 kJ/mol ZPE= 0.0617468
CONNECTIONS:
o EQ19 o EQ19
[ TS193 ] Animation C1 ENERGY= 226.4 kJ/mol
Energy+ZPE= 231.0 kJ/mol ZPE= 0.0610892
CONNECTIONS:
o EQ19 o EQ19
[ TS194 ] Animation Cs ENERGY= 272.9 kJ/mol
Energy+ZPE= 270.7 kJ/mol ZPE= 0.0584863
CONNECTIONS:
o EQ19 o EQ27
[ TS195 ] Animation C1 ENERGY= 348.9 kJ/mol
Energy+ZPE= 352.6 kJ/mol ZPE= 0.0607469
CONNECTIONS:
o EQ19 o EQ29
[ TS196 ] Animation C1 ENERGY= 358.4 kJ/mol
Energy+ZPE= 360.2 kJ/mol ZPE= 0.0600128
CONNECTIONS:
o EQ19 o EQ31
[ TS197 ] Animation C1 ENERGY= 453.6 kJ/mol
Energy+ZPE= 448.7 kJ/mol ZPE= 0.0574641
CONNECTIONS:
o EQ19 o EQ39
[ TS198 ] Animation C1 ENERGY= 486.9 kJ/mol
Energy+ZPE= 479.0 kJ/mol ZPE= 0.0563291
CONNECTIONS:
o EQ19 o EQ41
[ TS199 ] Animation C1 ENERGY= 653.3 kJ/mol
Energy+ZPE= 648.5 kJ/mol ZPE= 0.0574986
CONNECTIONS:
o EQ19 o EQ50
[ TS200 ] Animation C1 ENERGY= 656.8 kJ/mol
Energy+ZPE= 654.2 kJ/mol ZPE= 0.0583492
CONNECTIONS:
o EQ19 o EQ50
[ TS201 ] Animation C1 ENERGY= 341.6 kJ/mol
Energy+ZPE= 337.5 kJ/mol ZPE= 0.0577856
CONNECTIONS:
o EQ19 o DDC35
[ TS202 ] Animation C1 ENERGY= 469.9 kJ/mol
Energy+ZPE= 469.2 kJ/mol ZPE= 0.0590816
CONNECTIONS:
o EQ20 o EQ48
[ TS203 ] Animation C1 ENERGY= 676.0 kJ/mol
Energy+ZPE= 661.4 kJ/mol ZPE= 0.0537536
CONNECTIONS:
o EQ20 o EQ52
[ TS204 ] Animation Cs ENERGY= 195.1 kJ/mol
Energy+ZPE= 204.0 kJ/mol ZPE= 0.0627289
CONNECTIONS:
o EQ21 o EQ21
[ TS205 ] Animation Cs ENERGY= 196.7 kJ/mol
Energy+ZPE= 206.0 kJ/mol ZPE= 0.0628584
CONNECTIONS:
o EQ21 o EQ21
[ TS206 ] Animation C2 ENERGY= 214.6 kJ/mol
Energy+ZPE= 222.1 kJ/mol ZPE= 0.0621880
CONNECTIONS:
o EQ21 o EQ21
[ TS207 ] Animation C1 ENERGY= 421.8 kJ/mol
Energy+ZPE= 423.9 kJ/mol ZPE= 0.0601397
CONNECTIONS:
o EQ21 o EQ29
[ TS208 ] Animation C1 ENERGY= 431.0 kJ/mol
Energy+ZPE= 433.1 kJ/mol ZPE= 0.0601449
CONNECTIONS:
o EQ21 o EQ32
[ TS209 ] Animation Cs ENERGY= 235.4 kJ/mol
Energy+ZPE= 240.4 kJ/mol ZPE= 0.0612514
CONNECTIONS:
o EQ22 o EQ22
[ TS210 ] Animation C1 ENERGY= 225.6 kJ/mol
Energy+ZPE= 231.6 kJ/mol ZPE= 0.0616052
CONNECTIONS:
o EQ22 o EQ26
[ TS211 ] Animation C1 ENERGY= 248.5 kJ/mol
Energy+ZPE= 251.7 kJ/mol ZPE= 0.0605695
CONNECTIONS:
o EQ22 o EQ26
[ TS212 ] Animation C1 ENERGY= 235.7 kJ/mol
Energy+ZPE= 236.9 kJ/mol ZPE= 0.0597847
CONNECTIONS:
o EQ22 o EQ28
[ TS213 ] Animation C1 ENERGY= 241.3 kJ/mol
Energy+ZPE= 245.7 kJ/mol ZPE= 0.0610156
CONNECTIONS:
o EQ22 o EQ28
[ TS214 ] Animation C1 ENERGY= 245.1 kJ/mol
Energy+ZPE= 249.8 kJ/mol ZPE= 0.0611245
CONNECTIONS:
o EQ22 o EQ28
[ TS215 ] Animation C1 ENERGY= 601.2 kJ/mol
Energy+ZPE= 597.9 kJ/mol ZPE= 0.0580581
CONNECTIONS:
o EQ22 o EQ44
[ TS216 ] Animation C1 ENERGY= 603.2 kJ/mol
Energy+ZPE= 600.1 kJ/mol ZPE= 0.0581481
CONNECTIONS:
o EQ22 o EQ46
[ TS217 ] Animation C1 ENERGY= 484.0 kJ/mol
Energy+ZPE= 487.4 kJ/mol ZPE= 0.0606111
CONNECTIONS:
o EQ22 o EQ50
[ TS218 ] Animation C1 ENERGY= 507.4 kJ/mol
Energy+ZPE= 508.3 kJ/mol ZPE= 0.0596709
CONNECTIONS:
o EQ22 o EQ50
[ TS219 ] Animation C1 ENERGY= 241.6 kJ/mol
Energy+ZPE= 235.6 kJ/mol ZPE= 0.0570425
CONNECTIONS:
o EQ22 o DDC36
[ TS220 ] Animation C1 ENERGY= 264.2 kJ/mol
Energy+ZPE= 256.0 kJ/mol ZPE= 0.0562156
CONNECTIONS:
o EQ22 o DDC37
[ TS221 ] Animation C1 ENERGY= 306.3 kJ/mol
Energy+ZPE= 298.0 kJ/mol ZPE= 0.0561669
CONNECTIONS:
o EQ22 o DDC38
[ TS222 ] Animation C1 ENERGY= 321.3 kJ/mol
Energy+ZPE= 318.5 kJ/mol ZPE= 0.0582594
CONNECTIONS:
o EQ22 o DDC39
[ TS223 ] Animation C1 ENERGY= 352.5 kJ/mol
Energy+ZPE= 330.7 kJ/mol ZPE= 0.0510208
CONNECTIONS:
o EQ22 o DDC40
[ TS224 ] Animation C1 ENERGY= 534.9 kJ/mol
Energy+ZPE= 517.3 kJ/mol ZPE= 0.0526149
CONNECTIONS:
o EQ22 o DDC41
[ TS225 ] Animation Cs ENERGY= 206.2 kJ/mol
Energy+ZPE= 198.6 kJ/mol ZPE= 0.0564333
CONNECTIONS:
o EQ23 o DDC42
[ TS226 ] Animation Cs ENERGY= 235.0 kJ/mol
Energy+ZPE= 239.5 kJ/mol ZPE= 0.0610309
CONNECTIONS:
o EQ24 o EQ24
[ TS227 ] Animation C1 ENERGY= 222.9 kJ/mol
Energy+ZPE= 225.2 kJ/mol ZPE= 0.0602263
CONNECTIONS:
o EQ24 o EQ26
[ TS228 ] Animation C1 ENERGY= 247.6 kJ/mol
Energy+ZPE= 252.9 kJ/mol ZPE= 0.0613348
CONNECTIONS:
o EQ24 o EQ26
[ TS229 ] Animation C1 ENERGY= 270.2 kJ/mol
Energy+ZPE= 274.7 kJ/mol ZPE= 0.0610506
CONNECTIONS:
o EQ24 o EQ26
[ TS230 ] Animation C1 ENERGY= 242.9 kJ/mol
Energy+ZPE= 247.2 kJ/mol ZPE= 0.0609858
CONNECTIONS:
o EQ24 o EQ28
[ TS231 ] Animation C1 ENERGY= 262.7 kJ/mol
Energy+ZPE= 265.3 kJ/mol ZPE= 0.0603144
CONNECTIONS:
o EQ24 o EQ28
[ TS232 ] Animation C1 ENERGY= 524.6 kJ/mol
Energy+ZPE= 526.4 kJ/mol ZPE= 0.0600020
CONNECTIONS:
o EQ24 o EQ52
[ TS233 ] Animation C1 ENERGY= 220.3 kJ/mol
Energy+ZPE= 216.9 kJ/mol ZPE= 0.0580388
CONNECTIONS:
o EQ24 o DDC43
[ TS234 ] Animation Cs ENERGY= 219.8 kJ/mol
Energy+ZPE= 227.7 kJ/mol ZPE= 0.0623255
CONNECTIONS:
o EQ25 o EQ25
[ TS235 ] Animation C1 ENERGY= 383.3 kJ/mol
Energy+ZPE= 382.6 kJ/mol ZPE= 0.0590515
CONNECTIONS:
o EQ25 o EQ27
[ TS236 ] Animation Cs ENERGY= 240.1 kJ/mol
Energy+ZPE= 239.8 kJ/mol ZPE= 0.0592128
CONNECTIONS:
o EQ25 o DDC44
[ TS237 ] Animation C1 ENERGY= 341.4 kJ/mol
Energy+ZPE= 345.3 kJ/mol ZPE= 0.0608226
CONNECTIONS:
o EQ25 o DDC45
[ TS238 ] Animation C1 ENERGY= 453.1 kJ/mol
Energy+ZPE= 435.7 kJ/mol ZPE= 0.0526992
CONNECTIONS:
o EQ25 o DDC46
[ TS239 ] Animation Cs ENERGY= 242.2 kJ/mol
Energy+ZPE= 245.5 kJ/mol ZPE= 0.0605928
CONNECTIONS:
o EQ26 o EQ26
[ TS240 ] Animation C1 ENERGY= 500.6 kJ/mol
Energy+ZPE= 487.1 kJ/mol ZPE= 0.0541756
CONNECTIONS:
o EQ26 o EQ49
[ TS241 ] Animation C1 ENERGY= 524.0 kJ/mol
Energy+ZPE= 524.9 kJ/mol ZPE= 0.0596821
CONNECTIONS:
o EQ26 o EQ51
[ TS242 ] Animation C1 ENERGY= 265.3 kJ/mol
Energy+ZPE= 247.6 kJ/mol ZPE= 0.0525794
CONNECTIONS:
o EQ26 o DDC47
[ TS243 ] Animation C1 ENERGY= 507.2 kJ/mol
Energy+ZPE= 490.8 kJ/mol ZPE= 0.0530956
CONNECTIONS:
o EQ26 o DDC48
[ TS244 ] Animation Cs ENERGY= 226.8 kJ/mol
Energy+ZPE= 235.5 kJ/mol ZPE= 0.0626362
CONNECTIONS:
o EQ27 o EQ27
[ TS245 ] Animation Cs ENERGY= 238.8 kJ/mol
Energy+ZPE= 240.9 kJ/mol ZPE= 0.0601464
CONNECTIONS:
o EQ27 o DDC49
[ TS246 ] Animation C1 ENERGY= 314.4 kJ/mol
Energy+ZPE= 308.0 kJ/mol ZPE= 0.0568780
CONNECTIONS:
o EQ27 o DDC50
[ TS247 ] Animation C1 ENERGY= 339.3 kJ/mol
Energy+ZPE= 344.8 kJ/mol ZPE= 0.0614125
CONNECTIONS:
o EQ27 o DDC51
[ TS248 ] Animation C1 ENERGY= 454.9 kJ/mol
Energy+ZPE= 438.2 kJ/mol ZPE= 0.0529795
CONNECTIONS:
o EQ27 o DDC52
[ TS249 ] Animation C1 ENERGY= 459.1 kJ/mol
Energy+ZPE= 441.7 kJ/mol ZPE= 0.0526931
CONNECTIONS:
o EQ27 o DDC53
[ TS250 ] Animation Cs ENERGY= 261.8 kJ/mol
Energy+ZPE= 264.3 kJ/mol ZPE= 0.0602735
CONNECTIONS:
o EQ28 o EQ28
[ TS251 ] Animation C1 ENERGY= 493.4 kJ/mol
Energy+ZPE= 499.5 kJ/mol ZPE= 0.0616700
CONNECTIONS:
o EQ28 o EQ53
[ TS252 ] Animation C1 ENERGY= 513.2 kJ/mol
Energy+ZPE= 517.1 kJ/mol ZPE= 0.0608323
CONNECTIONS:
o EQ28 o EQ55
[ TS253 ] Animation C1 ENERGY= 310.8 kJ/mol
Energy+ZPE= 302.7 kJ/mol ZPE= 0.0562476
CONNECTIONS:
o EQ28 o DDC54
[ TS254 ] Animation C1 ENERGY= 398.6 kJ/mol
Energy+ZPE= 402.4 kJ/mol ZPE= 0.0607927
CONNECTIONS:
o EQ29 o EQ31
[ TS255 ] Animation C1 ENERGY= 275.9 kJ/mol
Energy+ZPE= 285.4 kJ/mol ZPE= 0.0629331
CONNECTIONS:
o EQ29 o EQ32
[ TS256 ] Animation C1 ENERGY= 280.5 kJ/mol
Energy+ZPE= 287.5 kJ/mol ZPE= 0.0619955
CONNECTIONS:
o EQ29 o EQ32
[ TS257 ] Animation C1 ENERGY= 285.0 kJ/mol
Energy+ZPE= 293.8 kJ/mol ZPE= 0.0627018
CONNECTIONS:
o EQ29 o EQ32
[ TS258 ] Animation C1 ENERGY= 439.6 kJ/mol
Energy+ZPE= 447.3 kJ/mol ZPE= 0.0622800
CONNECTIONS:
o EQ29 o EQ32
[ TS259 ] Animation C1 ENERGY= 420.7 kJ/mol
Energy+ZPE= 423.9 kJ/mol ZPE= 0.0605358
CONNECTIONS:
o EQ29 o EQ34
[ TS260 ] Animation C1 ENERGY= 507.0 kJ/mol
Energy+ZPE= 500.3 kJ/mol ZPE= 0.0567744
CONNECTIONS:
o EQ29 o EQ48
[ TS261 ] Animation C1 ENERGY= 528.2 kJ/mol
Energy+ZPE= 523.8 kJ/mol ZPE= 0.0576705
CONNECTIONS:
o EQ29 o EQ52
[ TS262 ] Animation C1 ENERGY= 611.5 kJ/mol
Energy+ZPE= 609.5 kJ/mol ZPE= 0.0585840
CONNECTIONS:
o EQ29 o EQ52
[ TS263 ] Animation C1 ENERGY= 559.8 kJ/mol
Energy+ZPE= 561.3 kJ/mol ZPE= 0.0598891
CONNECTIONS:
o EQ29 o EQ55
[ TS264 ] Animation C1 ENERGY= 456.7 kJ/mol
Energy+ZPE= 450.6 kJ/mol ZPE= 0.0570218
CONNECTIONS:
o EQ29 o DDC55
[ TS265 ] Animation C1 ENERGY= 588.2 kJ/mol
Energy+ZPE= 583.3 kJ/mol ZPE= 0.0574848
CONNECTIONS:
o EQ29 o DDC56
[ TS266 ] Animation C1 ENERGY= 613.2 kJ/mol
Energy+ZPE= 592.8 kJ/mol ZPE= 0.0515739
CONNECTIONS:
o EQ29 o DDC57
[ TS267 ] Animation C1 ENERGY= 251.8 kJ/mol
Energy+ZPE= 249.1 kJ/mol ZPE= 0.0583181
CONNECTIONS:
o EQ30 o DDC58
[ TS268 ] Animation Cs ENERGY= 277.5 kJ/mol
Energy+ZPE= 286.7 kJ/mol ZPE= 0.0628324
CONNECTIONS:
o EQ31 o EQ31
[ TS269 ] Animation C1 ENERGY= 279.7 kJ/mol
Energy+ZPE= 289.3 kJ/mol ZPE= 0.0629949
CONNECTIONS:
o EQ31 o EQ31
[ TS270 ] Animation Cs ENERGY= 288.7 kJ/mol
Energy+ZPE= 294.9 kJ/mol ZPE= 0.0616910
CONNECTIONS:
o EQ31 o EQ31
[ TS271 ] Animation C1 ENERGY= 412.6 kJ/mol
Energy+ZPE= 416.7 kJ/mol ZPE= 0.0608864
CONNECTIONS:
o EQ31 o EQ32
[ TS272 ] Animation C1 ENERGY= 454.4 kJ/mol
Energy+ZPE= 455.0 kJ/mol ZPE= 0.0595606
CONNECTIONS:
o EQ31 o EQ32
[ TS273 ] Animation C1 ENERGY= 459.3 kJ/mol
Energy+ZPE= 465.1 kJ/mol ZPE= 0.0615352
CONNECTIONS:
o EQ31 o EQ40
[ TS274 ] Animation C1 ENERGY= 500.3 kJ/mol
Energy+ZPE= 496.0 kJ/mol ZPE= 0.0576950
CONNECTIONS:
o EQ31 o EQ50
[ TS275 ] Animation C1 ENERGY= 682.1 kJ/mol
Energy+ZPE= 673.6 kJ/mol ZPE= 0.0561052
CONNECTIONS:
o EQ31 o EQ50
[ TS276 ] Animation C1 ENERGY= 348.2 kJ/mol
Energy+ZPE= 349.0 kJ/mol ZPE= 0.0596302
CONNECTIONS:
o EQ31 o DDC59
[ TS277 ] Animation Cs ENERGY= 626.3 kJ/mol
Energy+ZPE= 604.3 kJ/mol ZPE= 0.0509507
CONNECTIONS:
o EQ31 o DDC60
[ TS278 ] Animation C1 ENERGY= 660.7 kJ/mol
Energy+ZPE= 649.0 kJ/mol ZPE= 0.0548843
CONNECTIONS:
o EQ31 o DDC61
[ TS279 ] Animation C1 ENERGY= 419.4 kJ/mol
Energy+ZPE= 421.0 kJ/mol ZPE= 0.0599354
CONNECTIONS:
o EQ32 o EQ40
[ TS280 ] Animation C1 ENERGY= 528.8 kJ/mol
Energy+ZPE= 524.2 kJ/mol ZPE= 0.0575991
CONNECTIONS:
o EQ32 o EQ51
[ TS281 ] Animation C1 ENERGY= 613.3 kJ/mol
Energy+ZPE= 609.2 kJ/mol ZPE= 0.0577854
CONNECTIONS:
o EQ32 o EQ51
[ TS282 ] Animation C1 ENERGY= 340.0 kJ/mol
Energy+ZPE= 342.0 kJ/mol ZPE= 0.0600877
CONNECTIONS:
o EQ32 o DDC62
[ TS283 ] Animation C1 ENERGY= 559.9 kJ/mol
Energy+ZPE= 544.8 kJ/mol ZPE= 0.0535680
CONNECTIONS:
o EQ32 o DDC63
[ TS284 ] Animation C1 ENERGY= 595.3 kJ/mol
Energy+ZPE= 589.5 kJ/mol ZPE= 0.0571263
CONNECTIONS:
o EQ32 o DDC64
[ TS285 ] Animation C1 ENERGY= 279.5 kJ/mol
Energy+ZPE= 274.4 kJ/mol ZPE= 0.0573941
CONNECTIONS:
o EQ33 o DDC65
[ TS286 ] Animation C1 ENERGY= 282.1 kJ/mol
Energy+ZPE= 276.1 kJ/mol ZPE= 0.0570560
CONNECTIONS:
o EQ33 o DDC66
[ TS287 ] Animation C1 ENERGY= 306.2 kJ/mol
Energy+ZPE= 313.2 kJ/mol ZPE= 0.0619988
CONNECTIONS:
o EQ34 o EQ40
[ TS288 ] Animation Cs ENERGY= 395.9 kJ/mol
Energy+ZPE= 393.8 kJ/mol ZPE= 0.0585229
CONNECTIONS:
o EQ34 o DDC67
[ TS289 ] Animation C1 ENERGY= 488.4 kJ/mol
Energy+ZPE= 475.8 kJ/mol ZPE= 0.0545168
CONNECTIONS:
o EQ34 o DDC68
[ TS290 ] Animation C1 ENERGY= 539.6 kJ/mol
Energy+ZPE= 525.5 kJ/mol ZPE= 0.0539437
CONNECTIONS:
o EQ34 o DDC69
[ TS291 ] Animation C1 ENERGY= 295.8 kJ/mol
Energy+ZPE= 292.0 kJ/mol ZPE= 0.0578683
CONNECTIONS:
o EQ35 o EQ38
[ TS292 ] Animation C1 ENERGY= 287.0 kJ/mol
Energy+ZPE= 271.8 kJ/mol ZPE= 0.0535349
CONNECTIONS:
o EQ35 o DDC70
[ TS293 ] Animation C1 ENERGY= 297.2 kJ/mol
Energy+ZPE= 295.1 kJ/mol ZPE= 0.0585174
CONNECTIONS:
o EQ35 o DDC71
[ TS294 ] Animation C1 ENERGY= 301.0 kJ/mol
Energy+ZPE= 291.6 kJ/mol ZPE= 0.0557557
CONNECTIONS:
o EQ35 o DDC72
[ TS295 ] Animation Cs ENERGY= 287.9 kJ/mol
Energy+ZPE= 292.8 kJ/mol ZPE= 0.0611892
CONNECTIONS:
o EQ36 o EQ36
[ TS296 ] Animation C1 ENERGY= 450.5 kJ/mol
Energy+ZPE= 457.7 kJ/mol ZPE= 0.0620906
CONNECTIONS:
o EQ36 o EQ37
[ TS297 ] Animation C1 ENERGY= 365.3 kJ/mol
Energy+ZPE= 366.9 kJ/mol ZPE= 0.0599585
CONNECTIONS:
o EQ36 o EQ43
[ TS298 ] Animation Cs ENERGY= 656.9 kJ/mol
Energy+ZPE= 649.7 kJ/mol ZPE= 0.0566074
CONNECTIONS:
o EQ36 o EQ43
[ TS299 ] Animation C1 ENERGY= 483.9 kJ/mol
Energy+ZPE= 489.2 kJ/mol ZPE= 0.0613484
CONNECTIONS:
o EQ36 o EQ44
[ TS300 ] Animation C1 ENERGY= 458.8 kJ/mol
Energy+ZPE= 466.9 kJ/mol ZPE= 0.0624053
CONNECTIONS:
o EQ36 o EQ45
[ TS301 ] Animation C1 ENERGY= 298.3 kJ/mol
Energy+ZPE= 301.2 kJ/mol ZPE= 0.0604489
CONNECTIONS:
o EQ36 o DDC73
[ TS302 ] Animation C1 ENERGY= 310.2 kJ/mol
Energy+ZPE= 312.3 kJ/mol ZPE= 0.0601285
CONNECTIONS:
o EQ36 o DDC74
[ TS303 ] Animation C1 ENERGY= 420.6 kJ/mol
Energy+ZPE= 412.0 kJ/mol ZPE= 0.0560499
CONNECTIONS:
o EQ36 o DDC75
[ TS304 ] Animation C1 ENERGY= 447.3 kJ/mol
Energy+ZPE= 435.5 kJ/mol ZPE= 0.0548341
CONNECTIONS:
o EQ36 o DDC76
[ TS305 ] Animation C1 ENERGY= 465.8 kJ/mol
Energy+ZPE= 448.0 kJ/mol ZPE= 0.0525698
CONNECTIONS:
o EQ36 o DDC77
[ TS306 ] Animation C1 ENERGY= 472.3 kJ/mol
Energy+ZPE= 471.4 kJ/mol ZPE= 0.0589899
CONNECTIONS:
o EQ36 o DDC78
[ TS307 ] Animation C2 ENERGY= 470.3 kJ/mol
Energy+ZPE= 478.1 kJ/mol ZPE= 0.0623068
CONNECTIONS:
o EQ37 o EQ42
[ TS308 ] Animation Cs ENERGY= 385.6 kJ/mol
Energy+ZPE= 397.3 kJ/mol ZPE= 0.0637884
CONNECTIONS:
o EQ37 o EQ45
[ TS309 ] Animation C1 ENERGY= 515.6 kJ/mol
Energy+ZPE= 499.8 kJ/mol ZPE= 0.0533205
CONNECTIONS:
o EQ38 o EQ41
[ TS310 ] Animation C1 ENERGY= 297.3 kJ/mol
Energy+ZPE= 295.3 kJ/mol ZPE= 0.0585740
CONNECTIONS:
o EQ38 o DDC79
[ TS311 ] Animation C1 ENERGY= 302.0 kJ/mol
Energy+ZPE= 284.2 kJ/mol ZPE= 0.0525391
CONNECTIONS:
o EQ38 o DDC80
[ TS312 ] Animation C2h ENERGY= 304.7 kJ/mol
Energy+ZPE= 309.1 kJ/mol ZPE= 0.0610037
CONNECTIONS:
o EQ39 o EQ39
[ TS313 ] Animation Cs ENERGY= 574.4 kJ/mol
Energy+ZPE= 576.8 kJ/mol ZPE= 0.0602640
CONNECTIONS:
o EQ39 o EQ39
[ TS314 ] Animation C1 ENERGY= 342.5 kJ/mol
Energy+ZPE= 344.6 kJ/mol ZPE= 0.0601196
CONNECTIONS:
o EQ39 o EQ41
[ TS315 ] Animation C1 ENERGY= 737.1 kJ/mol
Energy+ZPE= 732.5 kJ/mol ZPE= 0.0575953
CONNECTIONS:
o EQ39 o EQ42
[ TS316 ] Animation C2 ENERGY= 446.9 kJ/mol
Energy+ZPE= 454.2 kJ/mol ZPE= 0.0620977
CONNECTIONS:
o EQ39 o EQ44
[ TS317 ] Animation C1 ENERGY= 538.5 kJ/mol
Energy+ZPE= 534.4 kJ/mol ZPE= 0.0577693
CONNECTIONS:
o EQ39 o EQ50
[ TS318 ] Animation Ci ENERGY= 334.7 kJ/mol
Energy+ZPE= 335.6 kJ/mol ZPE= 0.0596701
CONNECTIONS:
o EQ39 o DDC81
[ TS319 ] Animation C1 ENERGY= 439.0 kJ/mol
Energy+ZPE= 444.1 kJ/mol ZPE= 0.0612721
CONNECTIONS:
o EQ39 o DDC82
[ TS320 ] Animation C1 ENERGY= 483.0 kJ/mol
Energy+ZPE= 471.4 kJ/mol ZPE= 0.0549042
CONNECTIONS:
o EQ39 o DDC83
[ TS321 ] Animation Cs ENERGY= 582.7 kJ/mol
Energy+ZPE= 584.5 kJ/mol ZPE= 0.0600024
CONNECTIONS:
o EQ39 o DDC84
[ TS322 ] Animation Cs ENERGY= 327.7 kJ/mol
Energy+ZPE= 331.7 kJ/mol ZPE= 0.0608654
CONNECTIONS:
o EQ40 o EQ40
[ TS323 ] Animation Cs ENERGY= 338.8 kJ/mol
Energy+ZPE= 344.2 kJ/mol ZPE= 0.0613886
CONNECTIONS:
o EQ40 o EQ40
[ TS324 ] Animation C1 ENERGY= 560.9 kJ/mol
Energy+ZPE= 542.8 kJ/mol ZPE= 0.0524448
CONNECTIONS:
o EQ40 o DDC85
[ TS325 ] Animation C1 ENERGY= 564.2 kJ/mol
Energy+ZPE= 547.9 kJ/mol ZPE= 0.0531055
CONNECTIONS:
o EQ40 o DDC86
[ TS326 ] Animation C1 ENERGY= 645.2 kJ/mol
Energy+ZPE= 623.0 kJ/mol ZPE= 0.0508828
CONNECTIONS:
o EQ40 o DDC87
[ TS327 ] Animation Cs ENERGY= 312.0 kJ/mol
Energy+ZPE= 316.5 kJ/mol ZPE= 0.0610303
CONNECTIONS:
o EQ41 o EQ41
[ TS328 ] Animation Cs ENERGY= 602.8 kJ/mol
Energy+ZPE= 599.8 kJ/mol ZPE= 0.0582034
CONNECTIONS:
o EQ41 o EQ41
[ TS329 ] Animation C1 ENERGY= 341.3 kJ/mol
Energy+ZPE= 343.5 kJ/mol ZPE= 0.0601872
CONNECTIONS:
o EQ41 o EQ42
[ TS330 ] Animation C1 ENERGY= 461.3 kJ/mol
Energy+ZPE= 469.1 kJ/mol ZPE= 0.0622975
CONNECTIONS:
o EQ41 o EQ45
[ TS331 ] Animation C1 ENERGY= 531.5 kJ/mol
Energy+ZPE= 528.1 kJ/mol ZPE= 0.0580429
CONNECTIONS:
o EQ41 o EQ51
[ TS332 ] Animation C1 ENERGY= 538.0 kJ/mol
Energy+ZPE= 535.2 kJ/mol ZPE= 0.0582538
CONNECTIONS:
o EQ41 o EQ52
[ TS333 ] Animation C1 ENERGY= 326.3 kJ/mol
Energy+ZPE= 328.3 kJ/mol ZPE= 0.0600769
CONNECTIONS:
o EQ41 o DDC88
[ TS334 ] Animation C1 ENERGY= 466.5 kJ/mol
Energy+ZPE= 453.7 kJ/mol ZPE= 0.0544711
CONNECTIONS:
o EQ41 o DDC89
[ TS335 ] Animation Cs ENERGY= 428.8 kJ/mol
Energy+ZPE= 435.4 kJ/mol ZPE= 0.0618470
CONNECTIONS:
o EQ42 o EQ42
[ TS336 ] Animation Ci ENERGY= 322.6 kJ/mol
Energy+ZPE= 325.1 kJ/mol ZPE= 0.0602664
CONNECTIONS:
o EQ42 o DDC90
[ TS337 ] Animation C1 ENERGY= 384.6 kJ/mol
Energy+ZPE= 386.0 kJ/mol ZPE= 0.0598699
CONNECTIONS:
o EQ42 o DDC91
[ TS338 ] Animation C1 ENERGY= 498.3 kJ/mol
Energy+ZPE= 500.8 kJ/mol ZPE= 0.0602903
CONNECTIONS:
o EQ43 o EQ45
[ TS339 ] Animation C1 ENERGY= 509.8 kJ/mol
Energy+ZPE= 513.0 kJ/mol ZPE= 0.0605371
CONNECTIONS:
o EQ43 o EQ47
[ TS340 ] Animation C2 ENERGY= 340.6 kJ/mol
Energy+ZPE= 342.8 kJ/mol ZPE= 0.0601788
CONNECTIONS:
o EQ43 o DDC92
[ TS341 ] Animation C1 ENERGY= 443.6 kJ/mol
Energy+ZPE= 445.5 kJ/mol ZPE= 0.0600440
CONNECTIONS:
o EQ43 o DDC93
[ TS342 ] Animation C1 ENERGY= 462.2 kJ/mol
Energy+ZPE= 452.2 kJ/mol ZPE= 0.0555129
CONNECTIONS:
o EQ43 o DDC94
[ TS343 ] Animation Cs ENERGY= 337.4 kJ/mol
Energy+ZPE= 352.5 kJ/mol ZPE= 0.0650787
CONNECTIONS:
o EQ44 o EQ44
[ TS344 ] Animation C1 ENERGY= 421.3 kJ/mol
Energy+ZPE= 432.1 kJ/mol ZPE= 0.0634423
CONNECTIONS:
o EQ44 o EQ45
[ TS345 ] Animation C1 ENERGY= 427.0 kJ/mol
Energy+ZPE= 437.7 kJ/mol ZPE= 0.0634025
CONNECTIONS:
o EQ44 o EQ46
[ TS346 ] Animation Cs ENERGY= 455.5 kJ/mol
Energy+ZPE= 465.2 kJ/mol ZPE= 0.0630320
CONNECTIONS:
o EQ44 o DDC95
[ TS347 ] Animation C1 ENERGY= 474.8 kJ/mol
Energy+ZPE= 479.5 kJ/mol ZPE= 0.0611321
CONNECTIONS:
o EQ44 o DDC96
[ TS348 ] Animation Cs ENERGY= 345.1 kJ/mol
Energy+ZPE= 359.6 kJ/mol ZPE= 0.0648417
CONNECTIONS:
o EQ45 o EQ46
[ TS349 ] Animation Cs ENERGY= 431.1 kJ/mol
Energy+ZPE= 439.9 kJ/mol ZPE= 0.0626951
CONNECTIONS:
o EQ45 o EQ47
[ TS350 ] Animation C1 ENERGY= 629.1 kJ/mol
Energy+ZPE= 625.7 kJ/mol ZPE= 0.0580302
CONNECTIONS:
o EQ45 o EQ56
[ TS351 ] Animation Cs ENERGY= 593.3 kJ/mol
Energy+ZPE= 590.5 kJ/mol ZPE= 0.0582817
CONNECTIONS:
o EQ45 o EQ58
[ TS352 ] Animation Cs ENERGY= 554.8 kJ/mol
Energy+ZPE= 543.5 kJ/mol ZPE= 0.0550249
CONNECTIONS:
o EQ45 o DDC97
[ TS353 ] Animation C1 ENERGY= 631.6 kJ/mol
Energy+ZPE= 630.3 kJ/mol ZPE= 0.0588299
CONNECTIONS:
o EQ46 o EQ56
[ TS354 ] Animation C1 ENERGY= 487.4 kJ/mol
Energy+ZPE= 494.2 kJ/mol ZPE= 0.0619410
CONNECTIONS:
o EQ46 o DDC98
[ TS355 ] Animation C1 ENERGY= 496.4 kJ/mol
Energy+ZPE= 499.8 kJ/mol ZPE= 0.0606357
CONNECTIONS:
o EQ46 o DDC99
[ TS356 ] Animation C1 ENERGY= 715.3 kJ/mol
Energy+ZPE= 694.4 kJ/mol ZPE= 0.0513716
CONNECTIONS:
o EQ46 o DDC100
[ TS357 ] Animation C4v ENERGY= 406.0 kJ/mol
Energy+ZPE= 416.5 kJ/mol ZPE= 0.0633443
CONNECTIONS:
o EQ47 o EQ47
[ TS358 ] Animation C1 ENERGY= 531.1 kJ/mol
Energy+ZPE= 532.7 kJ/mol ZPE= 0.0599592
CONNECTIONS:
o EQ47 o DDC101
[ TS359 ] Animation C2v ENERGY= 533.1 kJ/mol
Energy+ZPE= 522.9 kJ/mol ZPE= 0.0554511
CONNECTIONS:
o EQ47 o DDC102
[ TS360 ] Animation C1 ENERGY= 427.9 kJ/mol
Energy+ZPE= 420.8 kJ/mol ZPE= 0.0566275
CONNECTIONS:
o EQ48 o DDC103
[ TS361 ] Animation C1 ENERGY= 666.2 kJ/mol
Energy+ZPE= 667.2 kJ/mol ZPE= 0.0597272
CONNECTIONS:
o EQ48 o DDC104
[ TS362 ] Animation Cs ENERGY= 394.2 kJ/mol
Energy+ZPE= 394.7 kJ/mol ZPE= 0.0595387
CONNECTIONS:
o EQ49 o EQ49
[ TS363 ] Animation Cs ENERGY= 390.8 kJ/mol
Energy+ZPE= 377.7 kJ/mol ZPE= 0.0543308
CONNECTIONS:
o EQ49 o DDC105
[ TS364 ] Animation Cs ENERGY= 426.7 kJ/mol
Energy+ZPE= 422.3 kJ/mol ZPE= 0.0576742
CONNECTIONS:
o EQ49 o DDC106
[ TS365 ] Animation C1 ENERGY= 578.5 kJ/mol
Energy+ZPE= 555.4 kJ/mol ZPE= 0.0505231
CONNECTIONS:
o EQ49 o DDC107
[ TS366 ] Animation C1 ENERGY= 451.2 kJ/mol
Energy+ZPE= 453.4 kJ/mol ZPE= 0.0601871
CONNECTIONS:
o EQ50 o EQ50
[ TS367 ] Animation C1 ENERGY= 451.3 kJ/mol
Energy+ZPE= 455.3 kJ/mol ZPE= 0.0608678
CONNECTIONS:
o EQ50 o EQ50
[ TS368 ] Animation Cs ENERGY= 604.8 kJ/mol
Energy+ZPE= 597.9 kJ/mol ZPE= 0.0567006
CONNECTIONS:
o EQ50 o EQ50
[ TS369 ] Animation C1 ENERGY= 584.1 kJ/mol
Energy+ZPE= 587.5 kJ/mol ZPE= 0.0606095
CONNECTIONS:
o EQ50 o EQ51
[ TS370 ] Animation C1 ENERGY= 596.6 kJ/mol
Energy+ZPE= 594.8 kJ/mol ZPE= 0.0586615
CONNECTIONS:
o EQ50 o EQ51
[ TS371 ] Animation C1 ENERGY= 581.8 kJ/mol
Energy+ZPE= 585.4 kJ/mol ZPE= 0.0606971
CONNECTIONS:
o EQ50 o EQ52
[ TS372 ] Animation C1 ENERGY= 552.4 kJ/mol
Energy+ZPE= 544.1 kJ/mol ZPE= 0.0561658
CONNECTIONS:
o EQ50 o DDC108
[ TS373 ] Animation C1 ENERGY= 751.1 kJ/mol
Energy+ZPE= 723.6 kJ/mol ZPE= 0.0488606
CONNECTIONS:
o EQ50 o DDC109
[ TS374 ] Animation C1 ENERGY= 426.3 kJ/mol
Energy+ZPE= 432.6 kJ/mol ZPE= 0.0617456
CONNECTIONS:
o EQ51 o EQ52
[ TS375 ] Animation C1 ENERGY= 442.4 kJ/mol
Energy+ZPE= 446.4 kJ/mol ZPE= 0.0608561
CONNECTIONS:
o EQ51 o EQ52
[ TS376 ] Animation C1 ENERGY= 454.8 kJ/mol
Energy+ZPE= 459.5 kJ/mol ZPE= 0.0611368
CONNECTIONS:
o EQ51 o EQ52
[ TS377 ] Animation C1 ENERGY= 556.5 kJ/mol
Energy+ZPE= 553.6 kJ/mol ZPE= 0.0582318
CONNECTIONS:
o EQ51 o EQ52
[ TS378 ] Animation C1 ENERGY= 549.7 kJ/mol
Energy+ZPE= 539.8 kJ/mol ZPE= 0.0555802
CONNECTIONS:
o EQ51 o DDC110
[ TS379 ] Animation C1 ENERGY= 528.0 kJ/mol
Energy+ZPE= 520.3 kJ/mol ZPE= 0.0563835
CONNECTIONS:
o EQ52 o DDC111
[ TS380 ] Animation C1 ENERGY= 563.0 kJ/mol
Energy+ZPE= 555.3 kJ/mol ZPE= 0.0563862
CONNECTIONS:
o EQ52 o DDC112
[ TS381 ] Animation C1 ENERGY= 500.4 kJ/mol
Energy+ZPE= 509.3 kJ/mol ZPE= 0.0627353
CONNECTIONS:
o EQ53 o EQ54
[ TS382 ] Animation C1 ENERGY= 572.7 kJ/mol
Energy+ZPE= 577.2 kJ/mol ZPE= 0.0610600
CONNECTIONS:
o EQ53 o EQ55
[ TS383 ] Animation C1 ENERGY= 588.1 kJ/mol
Energy+ZPE= 593.0 kJ/mol ZPE= 0.0612128
CONNECTIONS:
o EQ53 o EQ56
[ TS384 ] Animation C1 ENERGY= 697.5 kJ/mol
Energy+ZPE= 691.2 kJ/mol ZPE= 0.0569405
CONNECTIONS:
o EQ53 o EQ57
[ TS385 ] Animation C1 ENERGY= 518.5 kJ/mol
Energy+ZPE= 523.4 kJ/mol ZPE= 0.0611909
CONNECTIONS:
o EQ53 o DDC113
[ TS386 ] Animation C1 ENERGY= 529.6 kJ/mol
Energy+ZPE= 534.2 kJ/mol ZPE= 0.0610954
CONNECTIONS:
o EQ53 o DDC114
[ TS387 ] Animation C1 ENERGY= 603.1 kJ/mol
Energy+ZPE= 590.8 kJ/mol ZPE= 0.0546328
CONNECTIONS:
o EQ53 o DDC115
[ TS388 ] Animation C1 ENERGY= 651.4 kJ/mol
Energy+ZPE= 640.7 kJ/mol ZPE= 0.0552544
CONNECTIONS:
o EQ53 o DDC116
[ TS389 ] Animation C1 ENERGY= 622.0 kJ/mol
Energy+ZPE= 624.6 kJ/mol ZPE= 0.0603150
CONNECTIONS:
o EQ54 o EQ55
[ TS390 ] Animation C1 ENERGY= 528.7 kJ/mol
Energy+ZPE= 532.4 kJ/mol ZPE= 0.0607500
CONNECTIONS:
o EQ54 o DDC117
[ TS391 ] Animation C1 ENERGY= 526.2 kJ/mol
Energy+ZPE= 533.6 kJ/mol ZPE= 0.0621561
CONNECTIONS:
o EQ55 o EQ56
[ TS392 ] Animation C1 ENERGY= 539.4 kJ/mol
Energy+ZPE= 541.0 kJ/mol ZPE= 0.0599462
CONNECTIONS:
o EQ55 o DDC118
[ TS393 ] Animation C1 ENERGY= 589.5 kJ/mol
Energy+ZPE= 576.7 kJ/mol ZPE= 0.0544705
CONNECTIONS:
o EQ55 o DDC119
[ TS394 ] Animation C1 ENERGY= 648.0 kJ/mol
Energy+ZPE= 636.7 kJ/mol ZPE= 0.0550417
CONNECTIONS:
o EQ55 o DDC120
[ TS395 ] Animation Cs ENERGY= 617.0 kJ/mol
Energy+ZPE= 617.6 kJ/mol ZPE= 0.0595440
CONNECTIONS:
o EQ56 o EQ56
[ TS396 ] Animation Cs ENERGY= 649.6 kJ/mol
Energy+ZPE= 645.0 kJ/mol ZPE= 0.0575730
CONNECTIONS:
o EQ56 o EQ56
[ TS397 ] Animation C1 ENERGY= 685.8 kJ/mol
Energy+ZPE= 684.1 kJ/mol ZPE= 0.0586832
CONNECTIONS:
o EQ56 o EQ58
[ TS398 ] Animation C1 ENERGY= 530.4 kJ/mol
Energy+ZPE= 536.3 kJ/mol ZPE= 0.0615735
CONNECTIONS:
o EQ56 o DDC121
[ TS399 ] Animation C1 ENERGY= 732.7 kJ/mol
Energy+ZPE= 714.6 kJ/mol ZPE= 0.0524566
CONNECTIONS:
o EQ56 o DDC122
[ TS400 ] Animation C1 ENERGY= 646.1 kJ/mol
Energy+ZPE= 648.8 kJ/mol ZPE= 0.0603525
CONNECTIONS:
o EQ57 o DDC123
[ TS401 ] Animation C2h ENERGY= 664.0 kJ/mol
Energy+ZPE= 661.8 kJ/mol ZPE= 0.0584873
CONNECTIONS:
o EQ57 o DDC124
[ TS402 ] Animation C2v ENERGY= 689.8 kJ/mol
Energy+ZPE= 676.6 kJ/mol ZPE= 0.0543102
CONNECTIONS:
o EQ57 o DDC125
[ TS403 ] Animation C1 ENERGY= 700.6 kJ/mol
Energy+ZPE= 702.3 kJ/mol ZPE= 0.0599814
CONNECTIONS:
o EQ57 o DDC126
[ TS404 ] Animation Cs ENERGY= 726.9 kJ/mol
Energy+ZPE= 715.7 kJ/mol ZPE= 0.0550789
CONNECTIONS:
o EQ57 o DDC127
[ TS405 ] Animation Cs ENERGY= 619.7 kJ/mol
Energy+ZPE= 601.7 kJ/mol ZPE= 0.0524944
CONNECTIONS:
o EQ58 o DDC128
[ TS406 ] Animation C1 ENERGY= 105.7 kJ/mol
Energy+ZPE= 103.3 kJ/mol ZPE= 0.0584345
CONNECTIONS:
o DDC130 o DDC129
[ TS407 ] Animation C1 ENERGY= 193.7 kJ/mol
Energy+ZPE= 178.6 kJ/mol ZPE= 0.0535802
CONNECTIONS:
o DDC132 o DDC131
[ TS408 ] Animation Cs ENERGY= 199.7 kJ/mol
Energy+ZPE= 193.2 kJ/mol ZPE= 0.0568531
CONNECTIONS:
o DDC134 o DDC133
[ TS409 ] Animation C1 ENERGY= 213.6 kJ/mol
Energy+ZPE= 209.0 kJ/mol ZPE= 0.0575830
CONNECTIONS:
o DDC136 o DDC135
[ TS410 ] Animation C1 ENERGY= 213.8 kJ/mol
Energy+ZPE= 208.8 kJ/mol ZPE= 0.0574110
CONNECTIONS:
o DDC138 o DDC137
[ TS411 ] Animation C1 ENERGY= 239.9 kJ/mol
Energy+ZPE= 231.6 kJ/mol ZPE= 0.0561554
CONNECTIONS:
o DDC140 o DDC139
[ TS412 ] Animation C1 ENERGY= 260.5 kJ/mol
Energy+ZPE= 256.1 kJ/mol ZPE= 0.0576609
CONNECTIONS:
o DDC142 o DDC141
[ TS413 ] Animation Cs ENERGY= 263.7 kJ/mol
Energy+ZPE= 251.5 kJ/mol ZPE= 0.0546872
CONNECTIONS:
o DDC144 o DDC143
[ TS414 ] Animation C1 ENERGY= 264.1 kJ/mol
Energy+ZPE= 259.4 kJ/mol ZPE= 0.0575476
CONNECTIONS:
o DDC146 o DDC145
[ TS415 ] Animation C1 ENERGY= 277.3 kJ/mol
Energy+ZPE= 272.3 kJ/mol ZPE= 0.0574138
CONNECTIONS:
o DDC148 o DDC147
[ TS416 ] Animation C1 ENERGY= 288.4 kJ/mol
Energy+ZPE= 285.5 kJ/mol ZPE= 0.0582443
CONNECTIONS:
o DDC150 o DDC149
[ TS417 ] Animation C1 ENERGY= 289.7 kJ/mol
Energy+ZPE= 291.2 kJ/mol ZPE= 0.0599098
CONNECTIONS:
o DDC152 o DDC151
[ TS418 ] Animation C1 ENERGY= 293.1 kJ/mol
Energy+ZPE= 294.1 kJ/mol ZPE= 0.0597268
CONNECTIONS:
o DDC154 o DDC153
[ TS419 ] Animation Cs ENERGY= 293.8 kJ/mol
Energy+ZPE= 277.3 kJ/mol ZPE= 0.0530614
CONNECTIONS:
o DDC156 o DDC155
[ TS420 ] Animation C1 ENERGY= 304.3 kJ/mol
Energy+ZPE= 292.5 kJ/mol ZPE= 0.0548372
CONNECTIONS:
o DDC158 o DDC157
[ TS421 ] Animation C1 ENERGY= 310.1 kJ/mol
Energy+ZPE= 307.0 kJ/mol ZPE= 0.0581644
CONNECTIONS:
o DDC160 o DDC159
[ TS422 ] Animation C1 ENERGY= 328.5 kJ/mol
Energy+ZPE= 322.8 kJ/mol ZPE= 0.0571779
CONNECTIONS:
o DDC162 o DDC161
[ TS423 ] Animation C1 ENERGY= 328.8 kJ/mol
Energy+ZPE= 320.1 kJ/mol ZPE= 0.0560006
CONNECTIONS:
o DDC164 o DDC163
[ TS424 ] Animation C1 ENERGY= 329.5 kJ/mol
Energy+ZPE= 323.1 kJ/mol ZPE= 0.0568975
CONNECTIONS:
o DDC166 o DDC165
[ TS425 ] Animation C1 ENERGY= 329.6 kJ/mol
Energy+ZPE= 314.1 kJ/mol ZPE= 0.0534136
CONNECTIONS:
o DDC168 o DDC167
[ TS426 ] Animation C1 ENERGY= 330.9 kJ/mol
Energy+ZPE= 321.1 kJ/mol ZPE= 0.0555994
CONNECTIONS:
o DDC170 o DDC169
[ TS427 ] Animation C1 ENERGY= 336.6 kJ/mol
Energy+ZPE= 326.6 kJ/mol ZPE= 0.0555364
CONNECTIONS:
o DDC172 o DDC171
[ TS428 ] Animation C1 ENERGY= 339.7 kJ/mol
Energy+ZPE= 321.7 kJ/mol ZPE= 0.0524836
CONNECTIONS:
o DDC174 o DDC173
[ TS429 ] Animation C1 ENERGY= 340.6 kJ/mol
Energy+ZPE= 331.4 kJ/mol ZPE= 0.0558246
CONNECTIONS:
o DDC176 o DDC175
[ TS430 ] Animation C1 ENERGY= 374.4 kJ/mol
Energy+ZPE= 374.0 kJ/mol ZPE= 0.0591664
CONNECTIONS:
o DDC178 o DDC177
[ TS431 ] Animation C1 ENERGY= 381.7 kJ/mol
Energy+ZPE= 352.5 kJ/mol ZPE= 0.0482180
CONNECTIONS:
o DDC180 o DDC179
[ TS432 ] Animation C1 ENERGY= 384.4 kJ/mol
Energy+ZPE= 355.0 kJ/mol ZPE= 0.0481313
CONNECTIONS:
o DDC182 o DDC181
[ TS433 ] Animation C1 ENERGY= 396.4 kJ/mol
Energy+ZPE= 376.2 kJ/mol ZPE= 0.0516541
CONNECTIONS:
o DDC184 o DDC183
[ TS434 ] Animation C1 ENERGY= 455.3 kJ/mol
Energy+ZPE= 437.1 kJ/mol ZPE= 0.0523900
CONNECTIONS:
o DDC186 o DDC185
[ TS435 ] Animation Cs ENERGY= 475.5 kJ/mol
Energy+ZPE= 461.9 kJ/mol ZPE= 0.0541596
CONNECTIONS:
o DDC188 o DDC187
[ TS436 ] Animation Cs ENERGY= 634.9 kJ/mol
Energy+ZPE= 624.5 kJ/mol ZPE= 0.0553672
CONNECTIONS:
o DDC190 o DDC189
[ TS437 ] Animation C1 ENERGY= 308.9 kJ/mol
Energy+ZPE= 305.7 kJ/mol ZPE= 0.0581125
CONNECTIONS:
o xx o DC
[ TS438 ] Animation C1 ENERGY= 495.1 kJ/mol
Energy+ZPE= 473.1 kJ/mol ZPE= 0.0509695
CONNECTIONS:
o xx o DDC191
[ DDC0 ]
C1 ENERGY= 414.8 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS0 o EQ0
[ DDC1 ]
C1 ENERGY= 349.7 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS8 o EQ1
[ DDC2 ]
C1 ENERGY= 275.3 kJ/mol
FRAGMENTS:
H2N3 H2N
CONNECTIONS:
o TS9 o EQ1
[ DDC3 ]
C1 ENERGY= 186.6 kJ/mol
FRAGMENTS:
H2N2 N2 H H
CONNECTIONS:
o TS10 o EQ1
[ DDC4 ]
Cs ENERGY= 55.1 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS19 o EQ2
[ DDC5 ]
C1 ENERGY= 217.2 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS27 o EQ3
[ DDC6 ]
C1 ENERGY= 258.1 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS43 o EQ4
[ DDC7 ]
C1 ENERGY= 85.4 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS44 o EQ4
[ DDC8 ]
C1 ENERGY= 311.1 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS45 o EQ4
[ DDC9 ]
C1 ENERGY= 299.4 kJ/mol
FRAGMENTS:
H3N2 HN2
CONNECTIONS:
o TS57 o EQ5
[ DDC10 ]
C1 ENERGY= 285.0 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS58 o EQ5
[ DDC11 ]
C1 ENERGY= 304.9 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS59 o EQ5
[ DDC12 ]
C1 ENERGY= 91.2 kJ/mol
FRAGMENTS:
H4N2 N2
CONNECTIONS:
o TS71 o EQ6
[ DDC13 ]
C1 ENERGY= 244.7 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS72 o EQ6
[ DDC14 ]
C1 ENERGY= 289.4 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS79 o EQ7
[ DDC15 ]
C1 ENERGY= 46.6 kJ/mol
FRAGMENTS:
H2N2 N2 H H
CONNECTIONS:
o TS85 o EQ8
[ DDC16 ]
C1 ENERGY= 59.3 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS86 o EQ8
[ DDC17 ]
C1 ENERGY= -67.1 kJ/mol
FRAGMENTS:
H4N2 N2
CONNECTIONS:
o TS99 o EQ9
[ DDC18 ]
C1 ENERGY= 131.0 kJ/mol
FRAGMENTS:
H2N2 N2 H H
CONNECTIONS:
o TS100 o EQ9
[ DDC19 ]
C1 ENERGY= 290.6 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS101 o EQ9
[ DDC20 ]
C1 ENERGY= 287.2 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS102 o EQ9
[ DDC21 ]
C1 ENERGY= 289.3 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS103 o EQ9
[ DDC22 ]
C1 ENERGY= 56.3 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS106 o EQ10
[ DDC23 ]
C1 ENERGY= 273.2 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS107 o EQ10
[ DDC24 ]
C1 ENERGY= -51.5 kJ/mol
FRAGMENTS:
H4N2 N2
CONNECTIONS:
o TS111 o EQ11
[ DDC25 ]
C1 ENERGY= 206.3 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS112 o EQ11
[ DDC26 ]
C1 ENERGY= 153.4 kJ/mol
FRAGMENTS:
H2N2 N2 H H
CONNECTIONS:
o TS130 o EQ12
[ DDC27 ]
C1 ENERGY= 287.5 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS144 o EQ13
[ DDC28 ]
Cs ENERGY= 55.6 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS145 o EQ13
[ DDC29 ]
C1 ENERGY= 81.9 kJ/mol
FRAGMENTS:
N2 H2N2 H H
CONNECTIONS:
o TS146 o EQ13
[ DDC30 ]
C1 ENERGY= 442.6 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS154 o EQ14
[ DDC31 ]
C1 ENERGY= 288.3 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS167 o EQ15
[ DDC32 ]
C1 ENERGY= 100.6 kJ/mol
FRAGMENTS:
H2N2 N2 H H
CONNECTIONS:
o TS184 o EQ16
[ DDC33 ]
C1 ENERGY= 41.2 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS190 o EQ17
[ DDC34 ]
C1 ENERGY= 518.2 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS191 o EQ17
[ DDC35 ]
C1 ENERGY= 302.0 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS201 o EQ19
[ DDC36 ]
C1 ENERGY= 173.3 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS219 o EQ22
[ DDC37 ]
C1 ENERGY= 199.8 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS220 o EQ22
[ DDC38 ]
C1 ENERGY= -53.6 kJ/mol
FRAGMENTS:
N2 H4N2
CONNECTIONS:
o TS221 o EQ22
[ DDC39 ]
C1 ENERGY= -79.7 kJ/mol
FRAGMENTS:
N2 H4N2
CONNECTIONS:
o TS222 o EQ22
[ DDC40 ]
C1 ENERGY= 148.5 kJ/mol
FRAGMENTS:
N2 H2N2 H H
CONNECTIONS:
o TS223 o EQ22
[ DDC41 ]
C1 ENERGY= 284.6 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS224 o EQ22
[ DDC42 ]
Cs ENERGY= -42.4 kJ/mol
FRAGMENTS:
H4N2 N2
CONNECTIONS:
o TS225 o EQ23
[ DDC43 ]
C1 ENERGY= 95.7 kJ/mol
FRAGMENTS:
H4N2 N2
CONNECTIONS:
o TS233 o EQ24
[ DDC44 ]
Cs ENERGY= 54.2 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS236 o EQ25
[ DDC45 ]
C1 ENERGY= 112.6 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS237 o EQ25
[ DDC46 ]
C1 ENERGY= 244.3 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS238 o EQ25
[ DDC47 ]
C1 ENERGY= 53.9 kJ/mol
FRAGMENTS:
N2 H2N2 H H
CONNECTIONS:
o TS242 o EQ26
[ DDC48 ]
C1 ENERGY= 434.2 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS243 o EQ26
[ DDC49 ]
Cs ENERGY= 47.7 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS245 o EQ27
[ DDC50 ]
C1 ENERGY= 218.0 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS246 o EQ27
[ DDC51 ]
C1 ENERGY= 85.7 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS247 o EQ27
[ DDC52 ]
C1 ENERGY= 251.4 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS248 o EQ27
[ DDC53 ]
C1 ENERGY= 253.6 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS249 o EQ27
[ DDC54 ]
C1 ENERGY= -37.1 kJ/mol
FRAGMENTS:
N2 H4N2
CONNECTIONS:
o TS253 o EQ28
[ DDC55 ]
C1 ENERGY= 224.7 kJ/mol
FRAGMENTS:
H3N HN3
CONNECTIONS:
o TS264 o EQ29
[ DDC56 ]
C1 ENERGY= 287.1 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS265 o EQ29
[ DDC57 ]
C1 ENERGY= 468.9 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS266 o EQ29
[ DDC58 ]
C1 ENERGY= 242.1 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS267 o EQ30
[ DDC59 ]
C1 ENERGY= 292.5 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS276 o EQ31
[ DDC60 ]
Cs ENERGY= 493.5 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS277 o EQ31
[ DDC61 ]
C1 ENERGY= 561.2 kJ/mol
FRAGMENTS:
H2N3 H2N
CONNECTIONS:
o TS278 o EQ31
[ DDC62 ]
C1 ENERGY= 278.6 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS282 o EQ32
[ DDC63 ]
C1 ENERGY= 438.0 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS283 o EQ32
[ DDC64 ]
C1 ENERGY= 239.5 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS284 o EQ32
[ DDC65 ]
C1 ENERGY= 270.3 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS285 o EQ33
[ DDC66 ]
C1 ENERGY= 277.4 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS286 o EQ33
[ DDC67 ]
Cs ENERGY= 312.9 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS288 o EQ34
[ DDC68 ]
C1 ENERGY= 207.8 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS289 o EQ34
[ DDC69 ]
C1 ENERGY= 434.3 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS290 o EQ34
[ DDC70 ]
C1 ENERGY= 53.1 kJ/mol
FRAGMENTS:
H2N2 N2 H H
CONNECTIONS:
o TS292 o EQ35
[ DDC71 ]
C1 ENERGY= 216.5 kJ/mol
FRAGMENTS:
H3N2 HN2
CONNECTIONS:
o TS293 o EQ35
[ DDC72 ]
C1 ENERGY= 178.7 kJ/mol
FRAGMENTS:
H4N2 N2
CONNECTIONS:
o TS294 o EQ35
[ DDC73 ]
C1 ENERGY= 205.2 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS301 o EQ36
[ DDC74 ]
C1 ENERGY= 246.0 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS302 o EQ36
[ DDC75 ]
C1 ENERGY= 269.3 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS303 o EQ36
[ DDC76 ]
C1 ENERGY= -39.8 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS304 o EQ36
[ DDC77 ]
C1 ENERGY= 246.1 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS305 o EQ36
[ DDC78 ]
C1 ENERGY= 290.2 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS306 o EQ36
[ DDC79 ]
C1 ENERGY= 257.3 kJ/mol
FRAGMENTS:
H3N2 HN2
CONNECTIONS:
o TS310 o EQ38
[ DDC80 ]
C1 ENERGY= 75.8 kJ/mol
FRAGMENTS:
H2N2 N2 H H
CONNECTIONS:
o TS311 o EQ38
[ DDC81 ]
Ci ENERGY= 228.1 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS318 o EQ39
[ DDC82 ]
C1 ENERGY= 262.0 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS319 o EQ39
[ DDC83 ]
C1 ENERGY= 290.0 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS320 o EQ39
[ DDC84 ]
C1 ENERGY= 278.5 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS321 o EQ39
[ DDC85 ]
C1 ENERGY= 438.9 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS324 o EQ40
[ DDC86 ]
C1 ENERGY= 436.8 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS325 o EQ40
[ DDC87 ]
C1 ENERGY= 490.9 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS326 o EQ40
[ DDC88 ]
C1 ENERGY= 210.1 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS333 o EQ41
[ DDC89 ]
C1 ENERGY= 289.3 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS334 o EQ41
[ DDC90 ]
Ci ENERGY= 189.2 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS336 o EQ42
[ DDC91 ]
C1 ENERGY= 215.7 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS337 o EQ42
[ DDC92 ]
C1 ENERGY= 231.8 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS340 o EQ43
[ DDC93 ]
C1 ENERGY= 272.7 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS341 o EQ43
[ DDC94 ]
C1 ENERGY= 273.9 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS342 o EQ43
[ DDC95 ]
C2 ENERGY= 243.9 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS346 o EQ44
[ DDC96 ]
C1 ENERGY= 290.8 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS347 o EQ44
[ DDC97 ]
Cs ENERGY= 334.0 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS352 o EQ45
[ DDC98 ]
C2 ENERGY= 239.9 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS354 o EQ46
[ DDC99 ]
C1 ENERGY= 310.3 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS355 o EQ46
[ DDC100 ]
C1 ENERGY= 295.6 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS356 o EQ46
[ DDC101 ]
C1 ENERGY= 294.1 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS358 o EQ47
[ DDC102 ]
Cs ENERGY= 343.1 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS359 o EQ47
[ DDC103 ]
C1 ENERGY= 226.7 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS360 o EQ48
[ DDC104 ]
C1 ENERGY= 317.5 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS361 o EQ48
[ DDC105 ]
Cs ENERGY= 214.6 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS363 o EQ49
[ DDC106 ]
Cs ENERGY= 392.6 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS364 o EQ49
[ DDC107 ]
C1 ENERGY= 307.2 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS365 o EQ49
[ DDC108 ]
C1 ENERGY= 224.5 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS372 o EQ50
[ DDC109 ]
C1 ENERGY= 486.8 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS373 o EQ50
[ DDC110 ]
C1 ENERGY= 229.0 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS378 o EQ51
[ DDC111 ]
C1 ENERGY= 228.5 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS379 o EQ52
[ DDC112 ]
C1 ENERGY= 207.5 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS380 o EQ52
[ DDC113 ]
C1 ENERGY= -5.5 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS385 o EQ53
[ DDC114 ]
C1 ENERGY= 178.7 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS386 o EQ53
[ DDC115 ]
C1 ENERGY= 332.2 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS387 o EQ53
[ DDC116 ]
C1 ENERGY= 298.1 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS388 o EQ53
[ DDC117 ]
C1 ENERGY= 267.0 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS390 o EQ54
[ DDC118 ]
C1 ENERGY= -25.2 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS392 o EQ55
[ DDC119 ]
C1 ENERGY= 295.2 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS393 o EQ55
[ DDC120 ]
C1 ENERGY= 327.9 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS394 o EQ55
[ DDC121 ]
C1 ENERGY= 274.9 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS398 o EQ56
[ DDC122 ]
C1 ENERGY= 343.4 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS399 o EQ56
[ DDC123 ]
C1 ENERGY= 270.9 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS400 o EQ57
[ DDC124 ]
C2 ENERGY= 367.0 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS401 o EQ57
[ DDC125 ]
C2v ENERGY= 348.0 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS402 o EQ57
[ DDC126 ]
C1 ENERGY= 386.4 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS403 o EQ57
[ DDC127 ]
Cs ENERGY= 388.3 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS404 o EQ57
[ DDC128 ]
Cs ENERGY= 382.8 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS405 o EQ58
[ DDC129 ]
C1 ENERGY= 105.3 kJ/mol
FRAGMENTS:
H4N2 N2
CONNECTIONS:
o TS406 o DDC130
[ DDC130 ]
C1 ENERGY= 95.4 kJ/mol
FRAGMENTS:
H4N2 N2
CONNECTIONS:
o TS406 o DDC129
[ DDC131 ]
C1 ENERGY= 93.9 kJ/mol
FRAGMENTS:
N2 H4N2
CONNECTIONS:
o TS407 o DDC132
[ DDC132 ]
C1 ENERGY= -88.6 kJ/mol
FRAGMENTS:
N2 H4N2
CONNECTIONS:
o TS407 o DDC131
[ DDC133 ]
Cs ENERGY= 32.2 kJ/mol
FRAGMENTS:
H3N HN3
CONNECTIONS:
o TS408 o DDC134
[ DDC134 ]
C1 ENERGY= 110.7 kJ/mol
FRAGMENTS:
H4N2 N2
CONNECTIONS:
o TS408 o DDC133
[ DDC135 ]
C1 ENERGY= 213.6 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS409 o DDC136
[ DDC136 ]
C1 ENERGY= 210.9 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS409 o DDC135
[ DDC137 ]
C1 ENERGY= 213.6 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS410 o DDC138
[ DDC138 ]
C1 ENERGY= 210.5 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS410 o DDC137
[ DDC139 ]
C1 ENERGY= 198.5 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS411 o DDC140
[ DDC140 ]
C1 ENERGY= 115.2 kJ/mol
FRAGMENTS:
N2 H4N2
CONNECTIONS:
o TS411 o DDC139
[ DDC141 ]
C1 ENERGY= 253.1 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS412 o DDC142
[ DDC142 ]
C1 ENERGY= 254.7 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS412 o DDC141
[ DDC143 ]
C1 ENERGY= 121.9 kJ/mol
FRAGMENTS:
N2 H4N2
CONNECTIONS:
o TS413 o DDC144
[ DDC144 ]
C1 ENERGY= 215.8 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS413 o DDC143
[ DDC145 ]
C1 ENERGY= 258.9 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS414 o DDC146
[ DDC146 ]
C1 ENERGY= 253.6 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS414 o DDC145
[ DDC147 ]
C1 ENERGY= 270.1 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS415 o DDC148
[ DDC148 ]
C1 ENERGY= 272.9 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS415 o DDC147
[ DDC149 ]
C1 ENERGY= 31.0 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS416 o DDC150
[ DDC150 ]
C1 ENERGY= 91.2 kJ/mol
FRAGMENTS:
H4N2 N2
CONNECTIONS:
o TS416 o DDC149
[ DDC151 ]
C1 ENERGY= 283.3 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS417 o DDC152
[ DDC152 ]
C1 ENERGY= 265.5 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS417 o DDC151
[ DDC153 ]
C1 ENERGY= 287.9 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS418 o DDC154
[ DDC154 ]
C1 ENERGY= 272.4 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS418 o DDC153
[ DDC155 ]
C1 ENERGY= -44.3 kJ/mol
FRAGMENTS:
N2 H4N2
CONNECTIONS:
o TS419 o DDC156
[ DDC156 ]
Cs ENERGY= 283.7 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS419 o DDC155
[ DDC157 ]
C1 ENERGY= 216.1 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS420 o DDC158
[ DDC158 ]
C1 ENERGY= 103.3 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS420 o DDC157
[ DDC159 ]
C1 ENERGY= 192.9 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS421 o DDC160
[ DDC160 ]
C1 ENERGY= 267.8 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS421 o DDC159
[ DDC161 ]
C1 ENERGY= 285.0 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS422 o DDC162
[ DDC162 ]
C1 ENERGY= 288.5 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS422 o DDC161
[ DDC163 ]
C1 ENERGY= 280.8 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS423 o DDC164
[ DDC164 ]
C1 ENERGY= 210.7 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS423 o DDC163
[ DDC165 ]
C1 ENERGY= 276.3 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS424 o DDC166
[ DDC166 ]
C1 ENERGY= 296.2 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS424 o DDC165
[ DDC167 ]
C1 ENERGY= 163.8 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS425 o DDC168
[ DDC168 ]
C1 ENERGY= 267.1 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS425 o DDC167
[ DDC169 ]
C1 ENERGY= 208.8 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS426 o DDC170
[ DDC170 ]
C1 ENERGY= 284.6 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS426 o DDC169
[ DDC171 ]
C1 ENERGY= 300.2 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS427 o DDC172
[ DDC172 ]
C1 ENERGY= 234.1 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS427 o DDC171
[ DDC173 ]
C1 ENERGY= 62.0 kJ/mol
FRAGMENTS:
N2 H2N2 H H
CONNECTIONS:
o TS428 o DDC174
[ DDC174 ]
C1 ENERGY= 330.9 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS428 o DDC173
[ DDC175 ]
C1 ENERGY= 328.4 kJ/mol
FRAGMENTS:
HN2 H3N2
CONNECTIONS:
o TS429 o DDC176
[ DDC176 ]
C1 ENERGY= 201.5 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS429 o DDC175
[ DDC177 ]
C1 ENERGY= 290.8 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS430 o DDC178
[ DDC178 ]
C1 ENERGY= 287.5 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS430 o DDC177
[ DDC179 ]
C1 ENERGY= 54.7 kJ/mol
FRAGMENTS:
H2N2 N2 H H
CONNECTIONS:
o TS431 o DDC180
[ DDC180 ]
C1 ENERGY= 213.8 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS431 o DDC179
[ DDC181 ]
C1 ENERGY= 238.2 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS432 o DDC182
[ DDC182 ]
C1 ENERGY= 74.5 kJ/mol
FRAGMENTS:
H2N2 N2 H H
CONNECTIONS:
o TS432 o DDC181
[ DDC183 ]
C1 ENERGY= 206.0 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS433 o DDC184
[ DDC184 ]
C1 ENERGY= 251.9 kJ/mol
FRAGMENTS:
HN3 H3N
CONNECTIONS:
o TS433 o DDC183
[ DDC185 ]
C1 ENERGY= 251.3 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS434 o DDC186
[ DDC186 ]
C1 ENERGY= 130.0 kJ/mol
FRAGMENTS:
H4N4
CONNECTIONS:
o TS434 o DDC185
[ DDC187 ]
Cs ENERGY= 271.9 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS435 o DDC188
[ DDC188 ]
Cs ENERGY= 252.9 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o TS435 o DDC187
[ DDC189 ]
C1 ENERGY= 404.7 kJ/mol
FRAGMENTS:
H3N3 HN
CONNECTIONS:
o TS436 o DDC190
[ DDC190 ]
C1 ENERGY= 404.7 kJ/mol
FRAGMENTS:
H3N3 HN
CONNECTIONS:
o TS436 o DDC189
[ DDC191 ]
C1 ENERGY= 282.6 kJ/mol
FRAGMENTS:
H2N4 H H
CONNECTIONS:
o TS438 o xx
[ UDC0 ]
C1 ENERGY= 532.9 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ1 o
[ UDC1 ]
C1 ENERGY= 553.5 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ2 o
[ UDC2 ]
C1 ENERGY= 527.6 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ9 o
[ UDC3 ]
C1 ENERGY= 534.5 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ12 o
[ UDC4 ]
C1 ENERGY= 589.3 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ12 o
[ UDC5 ]
C1 ENERGY= 614.9 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ12 o
[ UDC6 ]
C1 ENERGY= 671.3 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ14 o
[ UDC7 ]
C1 ENERGY= 643.9 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ15 o
[ UDC8 ]
Cs ENERGY= 612.8 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ16 o
[ UDC9 ]
Cs ENERGY= 482.6 kJ/mol
FRAGMENTS:
H2N3 H2N
CONNECTIONS:
o EQ19 o
[ UDC10 ]
C1 ENERGY= 597.1 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ19 o
[ UDC11 ]
Cs ENERGY= 657.8 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ19 o
[ UDC12 ]
C1 ENERGY= 655.8 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ20 o
[ UDC13 ]
C1 ENERGY= 657.5 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ20 o
[ UDC14 ]
C1 ENERGY= 556.0 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ23 o
[ UDC15 ]
C1 ENERGY= 557.9 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ25 o
[ UDC16 ]
C1 ENERGY= 605.2 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ27 o
[ UDC17 ]
C1 ENERGY= 674.4 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ29 o
[ UDC18 ]
C1 ENERGY= 675.4 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ31 o
[ UDC19 ]
C1 ENERGY= 711.1 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ31 o
[ UDC20 ]
C1 ENERGY= 705.7 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ32 o
[ UDC21 ]
C1 ENERGY= 281.6 kJ/mol
FRAGMENTS:
H2N2 H2N2
CONNECTIONS:
o EQ33 o
[ UDC22 ]
C1 ENERGY= 586.7 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ33 o
[ UDC23 ]
C1 ENERGY= 618.0 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ33 o
[ UDC24 ]
C1 ENERGY= 567.1 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ36 o
[ UDC25 ]
Cs ENERGY= 676.4 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ37 o
[ UDC26 ]
C1 ENERGY= 685.6 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ44 o
[ UDC27 ]
C1 ENERGY= 688.3 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ44 o
[ UDC28 ]
Cs ENERGY= 738.8 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ45 o
[ UDC29 ]
Cs ENERGY= 649.4 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ46 o
[ UDC30 ]
Cs ENERGY= 729.7 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ46 o
[ UDC31 ]
C1 ENERGY= 705.5 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ48 o
[ UDC32 ]
C1 ENERGY= 861.4 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ50 o
[ UDC33 ]
C1 ENERGY= 829.7 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ51 o
[ UDC34 ]
C1 ENERGY= 860.1 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ52 o
[ UDC35 ]
C1 ENERGY= 691.3 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ53 o
[ UDC36 ]
C1 ENERGY= 658.6 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ54 o
[ UDC37 ]
C1 ENERGY= 863.3 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ54 o
[ UDC38 ]
C1 ENERGY= 851.4 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ55 o
[ UDC39 ]
Cs ENERGY= 828.6 kJ/mol
FRAGMENTS:
H3N4 H
CONNECTIONS:
o EQ58 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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