Reaction Routes of
H6C3O3
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/6-31+G*
© 2009 Koichi OHNO
Explored: EQ85 TS171
C1 ENERGY= 0.0 kJ/mol ( -343.6231062 Hartree)
Energy+ZPE= 0.0 kJ/mol ZPE= 0.0960808
CONNECTIONS:
C1 ENERGY= 20.7 kJ/mol ( -343.6152166 Hartree)
Energy+ZPE= 7.6 kJ/mol ZPE= 0.0910972
CONNECTIONS:
o TS0 (348.7) o DDC0
C1 ENERGY= 52.8 kJ/mol ( -343.6029996 Hartree)
Energy+ZPE= 51.7 kJ/mol ZPE= 0.0956510
CONNECTIONS:
C1 ENERGY= 66.4 kJ/mol ( -343.5978047 Hartree)
Energy+ZPE= 63.3 kJ/mol ZPE= 0.0949002
CONNECTIONS:
C1 ENERGY= 71.6 kJ/mol ( -343.5958225 Hartree)
Energy+ZPE= 66.8 kJ/mol ZPE= 0.0942556
CONNECTIONS:
C1 ENERGY= 74.4 kJ/mol ( -343.5947553 Hartree)
Energy+ZPE= 70.1 kJ/mol ZPE= 0.0944583
CONNECTIONS:
C1 ENERGY= 75.4 kJ/mol ( -343.5943703 Hartree)
Energy+ZPE= 70.5 kJ/mol ZPE= 0.0942207
CONNECTIONS:
o TS1 (273.6) o DDC1
C1 ENERGY= 75.9 kJ/mol ( -343.5942090 Hartree)
Energy+ZPE= 71.0 kJ/mol ZPE= 0.0942218
CONNECTIONS:
C1 ENERGY= 84.9 kJ/mol ( -343.5907721 Hartree)
Energy+ZPE= 79.2 kJ/mol ZPE= 0.0939188
CONNECTIONS:
C1 ENERGY= 88.3 kJ/mol ( -343.5894806 Hartree)
Energy+ZPE= 81.8 kJ/mol ZPE= 0.0935880
CONNECTIONS:
C1 ENERGY= 89.1 kJ/mol ( -343.5891578 Hartree)
Energy+ZPE= 81.8 kJ/mol ZPE= 0.0932900
CONNECTIONS:
[ EQ11 ] C1 ENERGY= 91.8 kJ/mol ( -343.5881590 Hartree)
Energy+ZPE= 84.9 kJ/mol ZPE= 0.0934565
CONNECTIONS:
[ EQ12 ] C1 ENERGY= 101.0 kJ/mol ( -343.5846258 Hartree)
Energy+ZPE= 97.1 kJ/mol ZPE= 0.0945917
CONNECTIONS:
[ EQ13 ] C1 ENERGY= 114.5 kJ/mol ( -343.5795131 Hartree)
Energy+ZPE= 109.5 kJ/mol ZPE= 0.0941831
CONNECTIONS:
[ EQ14 ] C1 ENERGY= 114.8 kJ/mol ( -343.5793981 Hartree)
Energy+ZPE= 111.6 kJ/mol ZPE= 0.0948762
CONNECTIONS:
[ EQ15 ] C1 ENERGY= 115.2 kJ/mol ( -343.5792422 Hartree)
Energy+ZPE= 111.3 kJ/mol ZPE= 0.0946020
CONNECTIONS:
[ EQ16 ] C1 ENERGY= 118.2 kJ/mol ( -343.5780804 Hartree)
Energy+ZPE= 112.8 kJ/mol ZPE= 0.0940183
CONNECTIONS:
o TS2 (407.2) o DDC2
[ EQ17 ] C1 ENERGY= 119.1 kJ/mol ( -343.5777594 Hartree)
Energy+ZPE= 115.2 kJ/mol ZPE= 0.0946051
CONNECTIONS:
[ EQ18 ] C1 ENERGY= 126.5 kJ/mol ( -343.5749073 Hartree)
Energy+ZPE= 121.5 kJ/mol ZPE= 0.0941576
CONNECTIONS:
o TS3 (607.1) o EQ41
[ EQ19 ] C1 ENERGY= 292.8 kJ/mol ( -343.5115687 Hartree)
Energy+ZPE= 293.4 kJ/mol ZPE= 0.0963254
CONNECTIONS:
[ EQ20 ] C1 ENERGY= 295.3 kJ/mol ( -343.5106193 Hartree)
Energy+ZPE= 295.9 kJ/mol ZPE= 0.0963051
CONNECTIONS:
[ EQ21 ] C1 ENERGY= 296.0 kJ/mol ( -343.5103546 Hartree)
Energy+ZPE= 295.8 kJ/mol ZPE= 0.0960102
CONNECTIONS:
[ EQ22 ] C1 ENERGY= 299.1 kJ/mol ( -343.5091694 Hartree)
Energy+ZPE= 289.3 kJ/mol ZPE= 0.0923415
CONNECTIONS:
[ EQ23 ] C1 ENERGY= 305.2 kJ/mol ( -343.5068592 Hartree)
Energy+ZPE= 304.0 kJ/mol ZPE= 0.0956117
CONNECTIONS:
[ EQ24 ] C1 ENERGY= 317.4 kJ/mol ( -343.5022334 Hartree)
Energy+ZPE= 297.5 kJ/mol ZPE= 0.0885196
CONNECTIONS:
[ EQ25 ] C1 ENERGY= 319.2 kJ/mol ( -343.5015305 Hartree)
Energy+ZPE= 308.8 kJ/mol ZPE= 0.0921077
CONNECTIONS:
[ EQ26 ] C1 ENERGY= 321.7 kJ/mol ( -343.5005791 Hartree)
Energy+ZPE= 315.5 kJ/mol ZPE= 0.0937138
CONNECTIONS:
o TS4 (328.6) o EQ28
o TS5 (334.8) o EQ29
o TS6 (615.0) o EQ29
o TS7 (329.3) o EQ31
o TS8 (338.4) o EQ33
o TS9 (340.1) o EQ33
o TS10 (687.9) o EQ61
o TS11 (534.6) o EQ75
o TS12 (550.0) o DDC3
o UDC0 o
o UDC1 o
[ EQ27 ] C1 ENERGY= 321.8 kJ/mol ( -343.5005480 Hartree)
Energy+ZPE= 313.0 kJ/mol ZPE= 0.0927395
CONNECTIONS:
o TS13 (348.4) o EQ27
o TS14 (637.8) o EQ27
o TS15 (334.2) o EQ30
o TS16 (336.7) o EQ30
o TS17 (329.6) o EQ32
o TS18 (331.0) o EQ33
o TS19 (329.7) o EQ40
o TS20 (331.1) o EQ42
o TS21 (329.9) o EQ44
o TS22 (331.7) o EQ48
o TS23 (574.3) o DDC4
o TS24 (655.6) o DDC5
o TS25 (689.4) o DDC6
o TS26 (737.6) o DDC7
o TS27 (747.4) o DDC8
o TS28 (753.8) o DDC9
o TS29 (755.4) o DDC10
o UDC2 o
[ EQ28 ] C1 ENERGY= 322.8 kJ/mol ( -343.5001727 Hartree)
Energy+ZPE= 315.1 kJ/mol ZPE= 0.0931502
CONNECTIONS:
o TS4 (328.6) o EQ26
o TS30 (664.6) o EQ28
o TS31 (343.7) o EQ35
o TS32 (338.3) o EQ36
o TS33 (338.3) o EQ36
o TS34 (327.7) o EQ38
o TS35 (349.9) o EQ39
o TS36 (562.4) o EQ78
o TS37 (506.2) o DDC11
o TS38 (559.6) o DDC12
o TS39 (616.9) o DDC13
o TS40 (647.8) o DDC14
o TS41 (654.4) o DDC15
o TS42 (657.4) o DDC16
[ EQ29 ] C1 ENERGY= 323.9 kJ/mol ( -343.4997544 Hartree)
Energy+ZPE= 318.0 kJ/mol ZPE= 0.0938485
CONNECTIONS:
o TS5 (334.8) o EQ26
o TS6 (615.0) o EQ26
o TS43 (948.3) o EQ29
o TS44 (335.8) o EQ32
o TS45 (342.2) o EQ33
o TS46 (329.0) o EQ35
o TS47 (338.8) o EQ36
o TS48 (349.9) o EQ38
o TS49 (328.0) o EQ39
o TS50 (340.2) o EQ42
o TS51 (515.3) o EQ49
o TS52 (531.5) o EQ76
o TS53 (815.6) o EQ79
o TS54 (614.8) o DDC17
o TS55 (739.3) o DDC18
[ EQ30 ] C1 ENERGY= 324.5 kJ/mol ( -343.4995097 Hartree)
Energy+ZPE= 315.6 kJ/mol ZPE= 0.0926721
CONNECTIONS:
o TS15 (334.2) o EQ27
o TS16 (336.7) o EQ27
o TS56 (325.9) o EQ30
o TS57 (331.9) o EQ31
o TS58 (332.0) o EQ45
o TS59 (333.6) o EQ46
o TS60 (332.9) o EQ47
o TS61 (609.3) o DDC19
o TS62 (709.9) o DDC20
[ EQ31 ] C1 ENERGY= 325.5 kJ/mol ( -343.4991220 Hartree)
Energy+ZPE= 317.0 kJ/mol ZPE= 0.0928267
CONNECTIONS:
o TS7 (329.3) o EQ26
o TS57 (331.9) o EQ30
o TS63 (336.9) o EQ32
o TS64 (340.4) o EQ36
o TS65 (329.1) o EQ43
o TS66 (330.2) o EQ46
o TS67 (543.3) o EQ63
o TS68 (559.2) o DDC21
o TS69 (618.3) o DDC22
o TS70 (701.6) o DDC23
o TS71 (705.6) o DDC24
o TS72 (743.4) o DDC25
o TS73 (758.5) o DDC26
[ EQ32 ] C1 ENERGY= 325.6 kJ/mol ( -343.4991046 Hartree)
Energy+ZPE= 316.5 kJ/mol ZPE= 0.0926152
CONNECTIONS:
o TS17 (329.6) o EQ27
o TS44 (335.8) o EQ29
o TS63 (336.9) o EQ31
o TS74 (762.0) o EQ32
o TS75 (327.7) o EQ35
o TS76 (571.2) o DDC27
o TS77 (606.1) o DDC28
o TS78 (760.2) o DDC29
o UDC3 o
[ EQ33 ] C1 ENERGY= 325.7 kJ/mol ( -343.4990490 Hartree)
Energy+ZPE= 318.0 kJ/mol ZPE= 0.0931443
CONNECTIONS:
o TS8 (338.4) o EQ26
o TS9 (340.1) o EQ26
o TS18 (331.0) o EQ27
o TS45 (342.2) o EQ29
o TS79 (343.3) o EQ39
o TS80 (334.2) o EQ40
o TS81 (337.3) o EQ41
o TS82 (340.5) o EQ46
o TS83 (613.7) o EQ53
o TS84 (538.9) o DDC30
o TS85 (601.2) o DDC31
o TS86 (612.0) o DDC32
o TS87 (652.9) o DDC33
o TS88 (750.9) o DDC34
[ EQ34 ] C1 ENERGY= 326.2 kJ/mol ( -343.4988447 Hartree)
Energy+ZPE= 315.2 kJ/mol ZPE= 0.0919042
CONNECTIONS:
[ EQ35 ] C1 ENERGY= 326.3 kJ/mol ( -343.4988310 Hartree)
Energy+ZPE= 317.6 kJ/mol ZPE= 0.0927548
CONNECTIONS:
o TS31 (343.7) o EQ28
o TS46 (329.0) o EQ29
o TS75 (327.7) o EQ32
o TS89 (340.3) o EQ36
o TS90 (328.1) o EQ39
o TS91 (338.3) o EQ43
o TS92 (334.8) o EQ44
o TS93 (669.5) o EQ44
o TS94 (668.5) o EQ48
o TS95 (557.8) o EQ72
o TS96 (539.9) o DDC35
o TS97 (650.8) o DDC36
o TS98 (661.9) o DDC37
o UDC4 o
[ EQ36 ] C1 ENERGY= 326.7 kJ/mol ( -343.4986650 Hartree)
Energy+ZPE= 317.5 kJ/mol ZPE= 0.0925684
CONNECTIONS:
o TS32 (338.3) o EQ28
o TS33 (338.3) o EQ28
o TS47 (338.8) o EQ29
o TS64 (340.4) o EQ31
o TS89 (340.3) o EQ35
o TS99 (357.5) o EQ36
o TS100 (346.5) o EQ37
o TS101 (328.5) o EQ41
o TS102 (329.5) o EQ43
o TS103 (345.3) o EQ43
o TS104 (670.5) o EQ45
o TS105 (563.1) o DDC38
o TS106 (608.8) o DDC39
o TS107 (612.6) o DDC40
o TS108 (701.3) o DDC41
[ EQ37 ] C1 ENERGY= 327.3 kJ/mol ( -343.4984383 Hartree)
Energy+ZPE= 317.8 kJ/mol ZPE= 0.0924676
CONNECTIONS:
o TS100 (346.5) o EQ36
o TS109 (327.5) o EQ37
o TS110 (338.9) o EQ39
o TS111 (329.1) o EQ43
o TS112 (562.1) o DDC42
[ EQ38 ] C1 ENERGY= 327.5 kJ/mol ( -343.4983869 Hartree)
Energy+ZPE= 318.6 kJ/mol ZPE= 0.0927041
CONNECTIONS:
o TS34 (327.7) o EQ28
o TS48 (349.9) o EQ29
o TS113 (666.5) o EQ40
o TS114 (547.6) o EQ68
o TS115 (531.6) o DDC43
o UDC5 o
o UDC6 o
[ EQ39 ] C1 ENERGY= 327.6 kJ/mol ( -343.4983413 Hartree)
Energy+ZPE= 318.3 kJ/mol ZPE= 0.0925422
CONNECTIONS:
o TS35 (349.9) o EQ28
o TS49 (328.0) o EQ29
o TS79 (343.3) o EQ33
o TS90 (328.1) o EQ35
o TS110 (338.9) o EQ37
o TS116 (562.1) o EQ77
o TS117 (576.5) o DDC44
o TS118 (618.8) o DDC45
o UDC7 o
[ EQ40 ] C1 ENERGY= 327.9 kJ/mol ( -343.4982049 Hartree)
Energy+ZPE= 319.4 kJ/mol ZPE= 0.0928438
CONNECTIONS:
o TS19 (329.7) o EQ27
o TS80 (334.2) o EQ33
o TS113 (666.5) o EQ38
o TS119 (328.9) o EQ42
o TS120 (332.6) o EQ44
o TS121 (354.5) o EQ44
o TS122 (339.8) o EQ45
o TS123 (548.8) o EQ69
o TS124 (626.3) o DDC46
o TS125 (748.2) o DDC47
o UDC8 o
[ EQ41 ] C1 ENERGY= 328.4 kJ/mol ( -343.4980077 Hartree)
Energy+ZPE= 318.9 kJ/mol ZPE= 0.0924518
CONNECTIONS:
o TS3 (607.1) o EQ18
o TS81 (337.3) o EQ33
o TS101 (328.5) o EQ36
o TS126 (334.7) o EQ45
o TS127 (330.7) o EQ46
o TS128 (609.8) o DDC48
o TS129 (643.6) o DDC49
[ EQ42 ] C1 ENERGY= 328.5 kJ/mol ( -343.4979752 Hartree)
Energy+ZPE= 319.9 kJ/mol ZPE= 0.0927907
CONNECTIONS:
o TS20 (331.1) o EQ27
o TS50 (340.2) o EQ29
o TS119 (328.9) o EQ40
o TS130 (353.1) o EQ44
o TS131 (341.3) o EQ47
o TS132 (333.6) o EQ48
o TS133 (572.0) o DDC50
o TS134 (618.0) o DDC51
[ EQ43 ] C1 ENERGY= 328.9 kJ/mol ( -343.4978506 Hartree)
Energy+ZPE= 319.4 kJ/mol ZPE= 0.0924813
CONNECTIONS:
o TS65 (329.1) o EQ31
o TS91 (338.3) o EQ35
o TS102 (329.5) o EQ36
o TS103 (345.3) o EQ36
o TS111 (329.1) o EQ37
o TS135 (335.1) o EQ47
o TS136 (698.8) o DDC52
[ EQ44 ] C1 ENERGY= 328.9 kJ/mol ( -343.4978344 Hartree)
Energy+ZPE= 320.3 kJ/mol ZPE= 0.0927944
CONNECTIONS:
o TS21 (329.9) o EQ27
o TS92 (334.8) o EQ35
o TS93 (669.5) o EQ35
o TS120 (332.6) o EQ40
o TS121 (354.5) o EQ40
o TS130 (353.1) o EQ42
o TS137 (340.4) o EQ47
o TS138 (330.7) o EQ48
o TS139 (616.4) o DDC53
o TS140 (665.7) o DDC54
o TS141 (748.5) o DDC55
o UDC9 o
o UDC10 o
[ EQ45 ] C1 ENERGY= 329.2 kJ/mol ( -343.4977267 Hartree)
Energy+ZPE= 320.3 kJ/mol ZPE= 0.0926841
CONNECTIONS:
o TS58 (332.0) o EQ30
o TS104 (670.5) o EQ36
o TS122 (339.8) o EQ40
o TS126 (334.7) o EQ41
o TS142 (703.6) o EQ45
o TS143 (330.8) o EQ47
o TS144 (332.5) o EQ47
o TS145 (359.3) o EQ47
o TS146 (340.8) o EQ48
o TS147 (671.1) o EQ71
o UDC11 o
o UDC12 o
[ EQ46 ] C1 ENERGY= 329.7 kJ/mol ( -343.4975167 Hartree)
Energy+ZPE= 320.5 kJ/mol ZPE= 0.0925923
CONNECTIONS:
o TS59 (333.6) o EQ30
o TS66 (330.2) o EQ31
o TS82 (340.5) o EQ33
o TS127 (330.7) o EQ41
o TS148 (608.9) o DDC56
o TS149 (708.4) o DDC57
[ EQ47 ] C1 ENERGY= 330.1 kJ/mol ( -343.4973636 Hartree)
Energy+ZPE= 321.0 kJ/mol ZPE= 0.0926027
CONNECTIONS:
o TS60 (332.9) o EQ30
o TS131 (341.3) o EQ42
o TS135 (335.1) o EQ43
o TS137 (340.4) o EQ44
o TS143 (330.8) o EQ45
o TS144 (332.5) o EQ45
o TS145 (359.3) o EQ45
o TS150 (639.3) o DDC58
o TS151 (746.2) o DDC59
o UDC13 o
[ EQ48 ] C1 ENERGY= 330.4 kJ/mol ( -343.4972597 Hartree)
Energy+ZPE= 321.6 kJ/mol ZPE= 0.0927468
CONNECTIONS:
o TS22 (331.7) o EQ27
o TS94 (668.5) o EQ35
o TS132 (333.6) o EQ42
o TS138 (330.7) o EQ44
o TS146 (340.8) o EQ45
o TS152 (552.4) o DDC60
o TS153 (741.7) o DDC61
[ EQ49 ] C1 ENERGY= 366.4 kJ/mol ( -343.4835532 Hartree)
Energy+ZPE= 361.1 kJ/mol ZPE= 0.0940734
CONNECTIONS:
o TS51 (515.3) o EQ29
[ EQ50 ] C1 ENERGY= 368.8 kJ/mol ( -343.4826308 Hartree)
Energy+ZPE= 360.3 kJ/mol ZPE= 0.0928255
CONNECTIONS:
o TS154 (377.0) o EQ51
[ EQ51 ] C1 ENERGY= 371.2 kJ/mol ( -343.4817425 Hartree)
Energy+ZPE= 362.5 kJ/mol ZPE= 0.0927498
CONNECTIONS:
o TS154 (377.0) o EQ50
o TS155 (374.2) o EQ52
[ EQ52 ] C1 ENERGY= 373.1 kJ/mol ( -343.4809999 Hartree)
Energy+ZPE= 364.5 kJ/mol ZPE= 0.0928025
CONNECTIONS:
o TS155 (374.2) o EQ51
[ EQ53 ] C1 ENERGY= 373.3 kJ/mol ( -343.4809378 Hartree)
Energy+ZPE= 365.7 kJ/mol ZPE= 0.0931883
CONNECTIONS:
o TS83 (613.7) o EQ33
[ EQ54 ] C1 ENERGY= 378.1 kJ/mol ( -343.4790851 Hartree)
Energy+ZPE= 369.3 kJ/mol ZPE= 0.0927355
CONNECTIONS:
[ EQ55 ] C1 ENERGY= 378.4 kJ/mol ( -343.4789800 Hartree)
Energy+ZPE= 369.7 kJ/mol ZPE= 0.0927495
CONNECTIONS:
[ EQ56 ] C1 ENERGY= 379.7 kJ/mol ( -343.4784946 Hartree)
Energy+ZPE= 371.1 kJ/mol ZPE= 0.0928075
CONNECTIONS:
[ EQ57 ] C1 ENERGY= 417.0 kJ/mol ( -343.4642912 Hartree)
Energy+ZPE= 413.9 kJ/mol ZPE= 0.0948817
CONNECTIONS:
[ EQ58 ] C1 ENERGY= 424.7 kJ/mol ( -343.4613561 Hartree)
Energy+ZPE= 418.9 kJ/mol ZPE= 0.0938725
CONNECTIONS:
[ EQ59 ] C1 ENERGY= 425.9 kJ/mol ( -343.4608859 Hartree)
Energy+ZPE= 419.8 kJ/mol ZPE= 0.0937700
CONNECTIONS:
[ EQ60 ] C1 ENERGY= 427.2 kJ/mol ( -343.4603874 Hartree)
Energy+ZPE= 421.7 kJ/mol ZPE= 0.0939741
CONNECTIONS:
[ EQ61 ] C1 ENERGY= 478.3 kJ/mol ( -343.4409501 Hartree)
Energy+ZPE= 473.1 kJ/mol ZPE= 0.0940889
CONNECTIONS:
o TS10 (687.9) o EQ26
[ EQ62 ] C1 ENERGY= 482.9 kJ/mol ( -343.4391900 Hartree)
Energy+ZPE= 478.6 kJ/mol ZPE= 0.0944319
CONNECTIONS:
[ EQ63 ] C1 ENERGY= 487.9 kJ/mol ( -343.4372789 Hartree)
Energy+ZPE= 482.7 kJ/mol ZPE= 0.0941177
CONNECTIONS:
o TS67 (543.3) o EQ31
[ EQ64 ] C1 ENERGY= 497.2 kJ/mol ( -343.4337400 Hartree)
Energy+ZPE= 490.4 kJ/mol ZPE= 0.0934806
CONNECTIONS:
o TS156 (520.6) o EQ68
[ EQ65 ] C1 ENERGY= 497.7 kJ/mol ( -343.4335574 Hartree)
Energy+ZPE= 491.0 kJ/mol ZPE= 0.0935119
CONNECTIONS:
[ EQ66 ] C1 ENERGY= 498.5 kJ/mol ( -343.4332553 Hartree)
Energy+ZPE= 493.1 kJ/mol ZPE= 0.0940317
CONNECTIONS:
[ EQ67 ] C1 ENERGY= 501.9 kJ/mol ( -343.4319479 Hartree)
Energy+ZPE= 494.8 kJ/mol ZPE= 0.0933603
CONNECTIONS:
[ EQ68 ] C1 ENERGY= 502.2 kJ/mol ( -343.4318178 Hartree)
Energy+ZPE= 496.0 kJ/mol ZPE= 0.0937086
CONNECTIONS:
o TS114 (547.6) o EQ38
o TS156 (520.6) o EQ64
[ EQ69 ] C1 ENERGY= 506.5 kJ/mol ( -343.4302092 Hartree)
Energy+ZPE= 499.6 kJ/mol ZPE= 0.0934658
CONNECTIONS:
o TS123 (548.8) o EQ40
[ EQ70 ] C1 ENERGY= 509.5 kJ/mol ( -343.4290337 Hartree)
Energy+ZPE= 502.4 kJ/mol ZPE= 0.0933629
CONNECTIONS:
[ EQ71 ] C1 ENERGY= 509.9 kJ/mol ( -343.4289052 Hartree)
Energy+ZPE= 502.7 kJ/mol ZPE= 0.0933427
CONNECTIONS:
o TS147 (671.1) o EQ45
[ EQ72 ] C1 ENERGY= 511.9 kJ/mol ( -343.4281371 Hartree)
Energy+ZPE= 503.7 kJ/mol ZPE= 0.0929391
CONNECTIONS:
o TS95 (557.8) o EQ35
[ EQ73 ] C1 ENERGY= 513.0 kJ/mol ( -343.4277123 Hartree)
Energy+ZPE= 505.8 kJ/mol ZPE= 0.0933508
CONNECTIONS:
[ EQ74 ] C1 ENERGY= 513.3 kJ/mol ( -343.4276037 Hartree)
Energy+ZPE= 506.3 kJ/mol ZPE= 0.0934063
CONNECTIONS:
[ EQ75 ] C1 ENERGY= 526.7 kJ/mol ( -343.4224816 Hartree)
Energy+ZPE= 511.5 kJ/mol ZPE= 0.0902844
CONNECTIONS:
o TS11 (534.6) o EQ26
[ EQ76 ] C1 ENERGY= 528.6 kJ/mol ( -343.4217859 Hartree)
Energy+ZPE= 513.8 kJ/mol ZPE= 0.0904472
CONNECTIONS:
o TS52 (531.5) o EQ29
[ EQ77 ] C1 ENERGY= 559.4 kJ/mol ( -343.4100482 Hartree)
Energy+ZPE= 543.1 kJ/mol ZPE= 0.0898563
CONNECTIONS:
o TS116 (562.1) o EQ39
[ EQ78 ] C1 ENERGY= 560.1 kJ/mol ( -343.4097871 Hartree)
Energy+ZPE= 543.8 kJ/mol ZPE= 0.0898546
CONNECTIONS:
o TS36 (562.4) o EQ28
[ EQ79 ] C1 ENERGY= 596.2 kJ/mol ( -343.3960132 Hartree)
Energy+ZPE= 585.2 kJ/mol ZPE= 0.0919046
CONNECTIONS:
o TS53 (815.6) o EQ29
[ EQ80 ] C1 ENERGY= 613.3 kJ/mol ( -343.3895204 Hartree)
Energy+ZPE= 600.1 kJ/mol ZPE= 0.0910491
CONNECTIONS:
[ EQ81 ] C1 ENERGY= 636.7 kJ/mol ( -343.3806134 Hartree)
Energy+ZPE= 617.8 kJ/mol ZPE= 0.0888723
CONNECTIONS:
[ EQ82 ] C1 ENERGY= 893.7 kJ/mol ( -343.2827320 Hartree)
Energy+ZPE= 871.2 kJ/mol ZPE= 0.0875136
CONNECTIONS:
[ EQ83 ] C1 ENERGY= 900.3 kJ/mol ( -343.2802042 Hartree)
Energy+ZPE= 878.4 kJ/mol ZPE= 0.0877363
CONNECTIONS:
[ EQ84 ] C1 ENERGY= 1046.0 kJ/mol ( -343.2247072 Hartree)
Energy+ZPE= 1020.6 kJ/mol ZPE= 0.0864220
CONNECTIONS:
o TS157 (1058.8) o DDC62
[ TS0 ] Animation C1 ENERGY= 348.7 kJ/mol
Energy+ZPE= 320.8 kJ/mol ZPE= 0.0854678
CONNECTIONS:
o EQ1 o DDC0
[ TS1 ] Animation C1 ENERGY= 273.6 kJ/mol
Energy+ZPE= 250.6 kJ/mol ZPE= 0.0873112
CONNECTIONS:
o EQ6 o DDC1
[ TS2 ] Animation C1 ENERGY= 407.2 kJ/mol
Energy+ZPE= 387.3 kJ/mol ZPE= 0.0884994
CONNECTIONS:
o EQ16 o DDC2
[ TS3 ] Animation C1 ENERGY= 607.1 kJ/mol
Energy+ZPE= 584.2 kJ/mol ZPE= 0.0873766
CONNECTIONS:
o EQ18 o EQ41
[ TS4 ] Animation C1 ENERGY= 328.6 kJ/mol
Energy+ZPE= 321.6 kJ/mol ZPE= 0.0934235
CONNECTIONS:
o EQ26 o EQ28
[ TS5 ] Animation C1 ENERGY= 334.8 kJ/mol
Energy+ZPE= 328.7 kJ/mol ZPE= 0.0937738
CONNECTIONS:
o EQ26 o EQ29
[ TS6 ] Animation C1 ENERGY= 615.0 kJ/mol
Energy+ZPE= 592.9 kJ/mol ZPE= 0.0876703
CONNECTIONS:
o EQ26 o EQ29
[ TS7 ] Animation C1 ENERGY= 329.3 kJ/mol
Energy+ZPE= 320.9 kJ/mol ZPE= 0.0928968
CONNECTIONS:
o EQ26 o EQ31
[ TS8 ] Animation C1 ENERGY= 338.4 kJ/mol
Energy+ZPE= 328.1 kJ/mol ZPE= 0.0921504
CONNECTIONS:
o EQ26 o EQ33
[ TS9 ] Animation C1 ENERGY= 340.1 kJ/mol
Energy+ZPE= 332.1 kJ/mol ZPE= 0.0930274
CONNECTIONS:
o EQ26 o EQ33
[ TS10 ] Animation C1 ENERGY= 687.9 kJ/mol
Energy+ZPE= 666.2 kJ/mol ZPE= 0.0878169
CONNECTIONS:
o EQ26 o EQ61
[ TS11 ] Animation C1 ENERGY= 534.6 kJ/mol
Energy+ZPE= 518.5 kJ/mol ZPE= 0.0899440
CONNECTIONS:
o EQ26 o EQ75
[ TS12 ] Animation C1 ENERGY= 550.0 kJ/mol
Energy+ZPE= 522.2 kJ/mol ZPE= 0.0855007
CONNECTIONS:
o EQ26 o DDC3
[ TS13 ] Animation C1 ENERGY= 348.4 kJ/mol
Energy+ZPE= 339.0 kJ/mol ZPE= 0.0924856
CONNECTIONS:
o EQ27 o EQ27
[ TS14 ] Animation C1 ENERGY= 637.8 kJ/mol
Energy+ZPE= 611.4 kJ/mol ZPE= 0.0860443
CONNECTIONS:
o EQ27 o EQ27
[ TS15 ] Animation C1 ENERGY= 334.2 kJ/mol
Energy+ZPE= 324.4 kJ/mol ZPE= 0.0923651
CONNECTIONS:
o EQ27 o EQ30
[ TS16 ] Animation C1 ENERGY= 336.7 kJ/mol
Energy+ZPE= 326.6 kJ/mol ZPE= 0.0922155
CONNECTIONS:
o EQ27 o EQ30
[ TS17 ] Animation C1 ENERGY= 329.6 kJ/mol
Energy+ZPE= 320.1 kJ/mol ZPE= 0.0924650
CONNECTIONS:
o EQ27 o EQ32
[ TS18 ] Animation C1 ENERGY= 331.0 kJ/mol
Energy+ZPE= 321.9 kJ/mol ZPE= 0.0925994
CONNECTIONS:
o EQ27 o EQ33
[ TS19 ] Animation C1 ENERGY= 329.7 kJ/mol
Energy+ZPE= 321.0 kJ/mol ZPE= 0.0927577
CONNECTIONS:
o EQ27 o EQ40
[ TS20 ] Animation C1 ENERGY= 331.1 kJ/mol
Energy+ZPE= 322.0 kJ/mol ZPE= 0.0925963
CONNECTIONS:
o EQ27 o EQ42
[ TS21 ] Animation C1 ENERGY= 329.9 kJ/mol
Energy+ZPE= 321.2 kJ/mol ZPE= 0.0927706
CONNECTIONS:
o EQ27 o EQ44
[ TS22 ] Animation C1 ENERGY= 331.7 kJ/mol
Energy+ZPE= 322.7 kJ/mol ZPE= 0.0926346
CONNECTIONS:
o EQ27 o EQ48
[ TS23 ] Animation C1 ENERGY= 574.3 kJ/mol
Energy+ZPE= 547.7 kJ/mol ZPE= 0.0859672
CONNECTIONS:
o EQ27 o DDC4
[ TS24 ] Animation C1 ENERGY= 655.6 kJ/mol
Energy+ZPE= 616.5 kJ/mol ZPE= 0.0811986
CONNECTIONS:
o EQ27 o DDC5
[ TS25 ] Animation C1 ENERGY= 689.4 kJ/mol
Energy+ZPE= 665.1 kJ/mol ZPE= 0.0868431
CONNECTIONS:
o EQ27 o DDC6
[ TS26 ] Animation C1 ENERGY= 737.6 kJ/mol
Energy+ZPE= 706.3 kJ/mol ZPE= 0.0841674
CONNECTIONS:
o EQ27 o DDC7
[ TS27 ] Animation C1 ENERGY= 747.4 kJ/mol
Energy+ZPE= 706.7 kJ/mol ZPE= 0.0805823
CONNECTIONS:
o EQ27 o DDC8
[ TS28 ] Animation C1 ENERGY= 753.8 kJ/mol
Energy+ZPE= 711.3 kJ/mol ZPE= 0.0798856
CONNECTIONS:
o EQ27 o DDC9
[ TS29 ] Animation C1 ENERGY= 755.4 kJ/mol
Energy+ZPE= 723.2 kJ/mol ZPE= 0.0837985
CONNECTIONS:
o EQ27 o DDC10
[ TS30 ] Animation C1 ENERGY= 664.6 kJ/mol
Energy+ZPE= 639.7 kJ/mol ZPE= 0.0865828
CONNECTIONS:
o EQ28 o EQ28
[ TS31 ] Animation C1 ENERGY= 343.7 kJ/mol
Energy+ZPE= 334.9 kJ/mol ZPE= 0.0927432
CONNECTIONS:
o EQ28 o EQ35
[ TS32 ] Animation C1 ENERGY= 338.3 kJ/mol
Energy+ZPE= 328.3 kJ/mol ZPE= 0.0922884
CONNECTIONS:
o EQ28 o EQ36
[ TS33 ] Animation C1 ENERGY= 338.3 kJ/mol
Energy+ZPE= 327.9 kJ/mol ZPE= 0.0921115
CONNECTIONS:
o EQ28 o EQ36
[ TS34 ] Animation C1 ENERGY= 327.7 kJ/mol
Energy+ZPE= 318.1 kJ/mol ZPE= 0.0924125
CONNECTIONS:
o EQ28 o EQ38
[ TS35 ] Animation C1 ENERGY= 349.9 kJ/mol
Energy+ZPE= 340.3 kJ/mol ZPE= 0.0924394
CONNECTIONS:
o EQ28 o EQ39
[ TS36 ] Animation C1 ENERGY= 562.4 kJ/mol
Energy+ZPE= 544.2 kJ/mol ZPE= 0.0891314
CONNECTIONS:
o EQ28 o EQ78
[ TS37 ] Animation C1 ENERGY= 506.2 kJ/mol
Energy+ZPE= 490.9 kJ/mol ZPE= 0.0902584
CONNECTIONS:
o EQ28 o DDC11
[ TS38 ] Animation C1 ENERGY= 559.6 kJ/mol
Energy+ZPE= 542.9 kJ/mol ZPE= 0.0897164
CONNECTIONS:
o EQ28 o DDC12
[ TS39 ] Animation C1 ENERGY= 616.9 kJ/mol
Energy+ZPE= 586.1 kJ/mol ZPE= 0.0843560
CONNECTIONS:
o EQ28 o DDC13
[ TS40 ] Animation C1 ENERGY= 647.8 kJ/mol
Energy+ZPE= 618.1 kJ/mol ZPE= 0.0847526
CONNECTIONS:
o EQ28 o DDC14
[ TS41 ] Animation C1 ENERGY= 654.4 kJ/mol
Energy+ZPE= 615.7 kJ/mol ZPE= 0.0813579
CONNECTIONS:
o EQ28 o DDC15
[ TS42 ] Animation C1 ENERGY= 657.4 kJ/mol
Energy+ZPE= 618.8 kJ/mol ZPE= 0.0813950
CONNECTIONS:
o EQ28 o DDC16
[ TS43 ] Animation C1 ENERGY= 948.3 kJ/mol
Energy+ZPE= 933.3 kJ/mol ZPE= 0.0903794
CONNECTIONS:
o EQ29 o EQ29
[ TS44 ] Animation C1 ENERGY= 335.8 kJ/mol
Energy+ZPE= 326.6 kJ/mol ZPE= 0.0925701
CONNECTIONS:
o EQ29 o EQ32
[ TS45 ] Animation C1 ENERGY= 342.2 kJ/mol
Energy+ZPE= 334.2 kJ/mol ZPE= 0.0930234
CONNECTIONS:
o EQ29 o EQ33
[ TS46 ] Animation C1 ENERGY= 329.0 kJ/mol
Energy+ZPE= 318.7 kJ/mol ZPE= 0.0921686
CONNECTIONS:
o EQ29 o EQ35
[ TS47 ] Animation C1 ENERGY= 338.8 kJ/mol
Energy+ZPE= 328.8 kJ/mol ZPE= 0.0922721
CONNECTIONS:
o EQ29 o EQ36
[ TS48 ] Animation C1 ENERGY= 349.9 kJ/mol
Energy+ZPE= 340.3 kJ/mol ZPE= 0.0924413
CONNECTIONS:
o EQ29 o EQ38
[ TS49 ] Animation C1 ENERGY= 328.0 kJ/mol
Energy+ZPE= 318.1 kJ/mol ZPE= 0.0922963
CONNECTIONS:
o EQ29 o EQ39
[ TS50 ] Animation C1 ENERGY= 340.2 kJ/mol
Energy+ZPE= 330.2 kJ/mol ZPE= 0.0922614
CONNECTIONS:
o EQ29 o EQ42
[ TS51 ] Animation C1 ENERGY= 515.3 kJ/mol
Energy+ZPE= 495.9 kJ/mol ZPE= 0.0886908
CONNECTIONS:
o EQ29 o EQ49
[ TS52 ] Animation C1 ENERGY= 531.5 kJ/mol
Energy+ZPE= 517.1 kJ/mol ZPE= 0.0905907
CONNECTIONS:
o EQ29 o EQ76
[ TS53 ] Animation C1 ENERGY= 815.6 kJ/mol
Energy+ZPE= 794.9 kJ/mol ZPE= 0.0881776
CONNECTIONS:
o EQ29 o EQ79
[ TS54 ] Animation C1 ENERGY= 614.8 kJ/mol
Energy+ZPE= 585.6 kJ/mol ZPE= 0.0849755
CONNECTIONS:
o EQ29 o DDC17
[ TS55 ] Animation C1 ENERGY= 739.3 kJ/mol
Energy+ZPE= 695.3 kJ/mol ZPE= 0.0793161
CONNECTIONS:
o EQ29 o DDC18
[ TS56 ] Animation Cs ENERGY= 325.9 kJ/mol
Energy+ZPE= 316.2 kJ/mol ZPE= 0.0923745
CONNECTIONS:
o EQ30 o EQ30
[ TS57 ] Animation C1 ENERGY= 331.9 kJ/mol
Energy+ZPE= 322.8 kJ/mol ZPE= 0.0926223
CONNECTIONS:
o EQ30 o EQ31
[ TS58 ] Animation C1 ENERGY= 332.0 kJ/mol
Energy+ZPE= 323.1 kJ/mol ZPE= 0.0926781
CONNECTIONS:
o EQ30 o EQ45
[ TS59 ] Animation C1 ENERGY= 333.6 kJ/mol
Energy+ZPE= 324.3 kJ/mol ZPE= 0.0925237
CONNECTIONS:
o EQ30 o EQ46
[ TS60 ] Animation C1 ENERGY= 332.9 kJ/mol
Energy+ZPE= 323.8 kJ/mol ZPE= 0.0926189
CONNECTIONS:
o EQ30 o EQ47
[ TS61 ] Animation C1 ENERGY= 609.3 kJ/mol
Energy+ZPE= 578.1 kJ/mol ZPE= 0.0841857
CONNECTIONS:
o EQ30 o DDC19
[ TS62 ] Animation C1 ENERGY= 709.9 kJ/mol
Energy+ZPE= 682.8 kJ/mol ZPE= 0.0857680
CONNECTIONS:
o EQ30 o DDC20
[ TS63 ] Animation C1 ENERGY= 336.9 kJ/mol
Energy+ZPE= 327.2 kJ/mol ZPE= 0.0923777
CONNECTIONS:
o EQ31 o EQ32
[ TS64 ] Animation C1 ENERGY= 340.4 kJ/mol
Energy+ZPE= 331.0 kJ/mol ZPE= 0.0924904
CONNECTIONS:
o EQ31 o EQ36
[ TS65 ] Animation C1 ENERGY= 329.1 kJ/mol
Energy+ZPE= 320.7 kJ/mol ZPE= 0.0928710
CONNECTIONS:
o EQ31 o EQ43
[ TS66 ] Animation C1 ENERGY= 330.2 kJ/mol
Energy+ZPE= 320.4 kJ/mol ZPE= 0.0923504
CONNECTIONS:
o EQ31 o EQ46
[ TS67 ] Animation C1 ENERGY= 543.3 kJ/mol
Energy+ZPE= 523.6 kJ/mol ZPE= 0.0885892
CONNECTIONS:
o EQ31 o EQ63
[ TS68 ] Animation C1 ENERGY= 559.2 kJ/mol
Energy+ZPE= 531.7 kJ/mol ZPE= 0.0856124
CONNECTIONS:
o EQ31 o DDC21
[ TS69 ] Animation C1 ENERGY= 618.3 kJ/mol
Energy+ZPE= 587.3 kJ/mol ZPE= 0.0842797
CONNECTIONS:
o EQ31 o DDC22
[ TS70 ] Animation C1 ENERGY= 701.6 kJ/mol
Energy+ZPE= 661.2 kJ/mol ZPE= 0.0807066
CONNECTIONS:
o EQ31 o DDC23
[ TS71 ] Animation C1 ENERGY= 705.6 kJ/mol
Energy+ZPE= 666.5 kJ/mol ZPE= 0.0812051
CONNECTIONS:
o EQ31 o DDC24
[ TS72 ] Animation C1 ENERGY= 743.4 kJ/mol
Energy+ZPE= 700.5 kJ/mol ZPE= 0.0797503
CONNECTIONS:
o EQ31 o DDC25
[ TS73 ] Animation C1 ENERGY= 758.5 kJ/mol
Energy+ZPE= 721.7 kJ/mol ZPE= 0.0820681
CONNECTIONS:
o EQ31 o DDC26
[ TS74 ] Animation C1 ENERGY= 762.0 kJ/mol
Energy+ZPE= 736.9 kJ/mol ZPE= 0.0865206
CONNECTIONS:
o EQ32 o EQ32
[ TS75 ] Animation C1 ENERGY= 327.7 kJ/mol
Energy+ZPE= 319.0 kJ/mol ZPE= 0.0927678
CONNECTIONS:
o EQ32 o EQ35
[ TS76 ] Animation C1 ENERGY= 571.2 kJ/mol
Energy+ZPE= 546.0 kJ/mol ZPE= 0.0864716
CONNECTIONS:
o EQ32 o DDC27
[ TS77 ] Animation C1 ENERGY= 606.1 kJ/mol
Energy+ZPE= 574.3 kJ/mol ZPE= 0.0839659
CONNECTIONS:
o EQ32 o DDC28
[ TS78 ] Animation C1 ENERGY= 760.2 kJ/mol
Energy+ZPE= 727.4 kJ/mol ZPE= 0.0836066
CONNECTIONS:
o EQ32 o DDC29
[ TS79 ] Animation C1 ENERGY= 343.3 kJ/mol
Energy+ZPE= 334.3 kJ/mol ZPE= 0.0926456
CONNECTIONS:
o EQ33 o EQ39
[ TS80 ] Animation C1 ENERGY= 334.2 kJ/mol
Energy+ZPE= 324.8 kJ/mol ZPE= 0.0924893
CONNECTIONS:
o EQ33 o EQ40
[ TS81 ] Animation C1 ENERGY= 337.3 kJ/mol
Energy+ZPE= 327.5 kJ/mol ZPE= 0.0923665
CONNECTIONS:
o EQ33 o EQ41
[ TS82 ] Animation C1 ENERGY= 340.5 kJ/mol
Energy+ZPE= 330.6 kJ/mol ZPE= 0.0922987
CONNECTIONS:
o EQ33 o EQ46
[ TS83 ] Animation C1 ENERGY= 613.7 kJ/mol
Energy+ZPE= 589.6 kJ/mol ZPE= 0.0869138
CONNECTIONS:
o EQ33 o EQ53
[ TS84 ] Animation C1 ENERGY= 538.9 kJ/mol
Energy+ZPE= 506.6 kJ/mol ZPE= 0.0837666
CONNECTIONS:
o EQ33 o DDC30
[ TS85 ] Animation C1 ENERGY= 601.2 kJ/mol
Energy+ZPE= 568.0 kJ/mol ZPE= 0.0834241
CONNECTIONS:
o EQ33 o DDC31
[ TS86 ] Animation C1 ENERGY= 612.0 kJ/mol
Energy+ZPE= 580.5 kJ/mol ZPE= 0.0840873
CONNECTIONS:
o EQ33 o DDC32
[ TS87 ] Animation C1 ENERGY= 652.9 kJ/mol
Energy+ZPE= 614.5 kJ/mol ZPE= 0.0814574
CONNECTIONS:
o EQ33 o DDC33
[ TS88 ] Animation C1 ENERGY= 750.9 kJ/mol
Energy+ZPE= 707.0 kJ/mol ZPE= 0.0793594
CONNECTIONS:
o EQ33 o DDC34
[ TS89 ] Animation C1 ENERGY= 340.3 kJ/mol
Energy+ZPE= 330.1 kJ/mol ZPE= 0.0922099
CONNECTIONS:
o EQ35 o EQ36
[ TS90 ] Animation C1 ENERGY= 328.1 kJ/mol
Energy+ZPE= 318.4 kJ/mol ZPE= 0.0923818
CONNECTIONS:
o EQ35 o EQ39
[ TS91 ] Animation C1 ENERGY= 338.3 kJ/mol
Energy+ZPE= 328.7 kJ/mol ZPE= 0.0924350
CONNECTIONS:
o EQ35 o EQ43
[ TS92 ] Animation C1 ENERGY= 334.8 kJ/mol
Energy+ZPE= 325.3 kJ/mol ZPE= 0.0924641
CONNECTIONS:
o EQ35 o EQ44
[ TS93 ] Animation C1 ENERGY= 669.5 kJ/mol
Energy+ZPE= 643.5 kJ/mol ZPE= 0.0861589
CONNECTIONS:
o EQ35 o EQ44
[ TS94 ] Animation C1 ENERGY= 668.5 kJ/mol
Energy+ZPE= 642.7 kJ/mol ZPE= 0.0862639
CONNECTIONS:
o EQ35 o EQ48
[ TS95 ] Animation C1 ENERGY= 557.8 kJ/mol
Energy+ZPE= 537.3 kJ/mol ZPE= 0.0882711
CONNECTIONS:
o EQ35 o EQ72
[ TS96 ] Animation C1 ENERGY= 539.9 kJ/mol
Energy+ZPE= 511.3 kJ/mol ZPE= 0.0851733
CONNECTIONS:
o EQ35 o DDC35
[ TS97 ] Animation C1 ENERGY= 650.8 kJ/mol
Energy+ZPE= 610.4 kJ/mol ZPE= 0.0806820
CONNECTIONS:
o EQ35 o DDC36
[ TS98 ] Animation C1 ENERGY= 661.9 kJ/mol
Energy+ZPE= 622.4 kJ/mol ZPE= 0.0810245
CONNECTIONS:
o EQ35 o DDC37
[ TS99 ] Animation C1 ENERGY= 357.5 kJ/mol
Energy+ZPE= 346.8 kJ/mol ZPE= 0.0920027
CONNECTIONS:
o EQ36 o EQ36
[ TS100 ] Animation C1 ENERGY= 346.5 kJ/mol
Energy+ZPE= 337.7 kJ/mol ZPE= 0.0927104
CONNECTIONS:
o EQ36 o EQ37
[ TS101 ] Animation C1 ENERGY= 328.5 kJ/mol
Energy+ZPE= 318.6 kJ/mol ZPE= 0.0923200
CONNECTIONS:
o EQ36 o EQ41
[ TS102 ] Animation C1 ENERGY= 329.5 kJ/mol
Energy+ZPE= 319.1 kJ/mol ZPE= 0.0921093
CONNECTIONS:
o EQ36 o EQ43
[ TS103 ] Animation C1 ENERGY= 345.3 kJ/mol
Energy+ZPE= 336.8 kJ/mol ZPE= 0.0928436
CONNECTIONS:
o EQ36 o EQ43
[ TS104 ] Animation C1 ENERGY= 670.5 kJ/mol
Energy+ZPE= 643.7 kJ/mol ZPE= 0.0858917
CONNECTIONS:
o EQ36 o EQ45
[ TS105 ] Animation C1 ENERGY= 563.1 kJ/mol
Energy+ZPE= 534.4 kJ/mol ZPE= 0.0851484
CONNECTIONS:
o EQ36 o DDC38
[ TS106 ] Animation C1 ENERGY= 608.8 kJ/mol
Energy+ZPE= 578.0 kJ/mol ZPE= 0.0843310
CONNECTIONS:
o EQ36 o DDC39
[ TS107 ] Animation C1 ENERGY= 612.6 kJ/mol
Energy+ZPE= 581.7 kJ/mol ZPE= 0.0842997
CONNECTIONS:
o EQ36 o DDC40
[ TS108 ] Animation C1 ENERGY= 701.3 kJ/mol
Energy+ZPE= 661.6 kJ/mol ZPE= 0.0809730
CONNECTIONS:
o EQ36 o DDC41
[ TS109 ] Animation C1 ENERGY= 327.5 kJ/mol
Energy+ZPE= 317.6 kJ/mol ZPE= 0.0923016
CONNECTIONS:
o EQ37 o EQ37
[ TS110 ] Animation C1 ENERGY= 338.9 kJ/mol
Energy+ZPE= 328.8 kJ/mol ZPE= 0.0922181
CONNECTIONS:
o EQ37 o EQ39
[ TS111 ] Animation C1 ENERGY= 329.1 kJ/mol
Energy+ZPE= 319.0 kJ/mol ZPE= 0.0922415
CONNECTIONS:
o EQ37 o EQ43
[ TS112 ] Animation C1 ENERGY= 562.1 kJ/mol
Energy+ZPE= 533.4 kJ/mol ZPE= 0.0851642
CONNECTIONS:
o EQ37 o DDC42
[ TS113 ] Animation C1 ENERGY= 666.5 kJ/mol
Energy+ZPE= 640.9 kJ/mol ZPE= 0.0863147
CONNECTIONS:
o EQ38 o EQ40
[ TS114 ] Animation C1 ENERGY= 547.6 kJ/mol
Energy+ZPE= 528.2 kJ/mol ZPE= 0.0886818
CONNECTIONS:
o EQ38 o EQ68
[ TS115 ] Animation C1 ENERGY= 531.6 kJ/mol
Energy+ZPE= 516.6 kJ/mol ZPE= 0.0903630
CONNECTIONS:
o EQ38 o DDC43
[ TS116 ] Animation C1 ENERGY= 562.1 kJ/mol
Energy+ZPE= 543.6 kJ/mol ZPE= 0.0890252
CONNECTIONS:
o EQ39 o EQ77
[ TS117 ] Animation C1 ENERGY= 576.5 kJ/mol
Energy+ZPE= 547.9 kJ/mol ZPE= 0.0851727
CONNECTIONS:
o EQ39 o DDC44
[ TS118 ] Animation C1 ENERGY= 618.8 kJ/mol
Energy+ZPE= 602.7 kJ/mol ZPE= 0.0899302
CONNECTIONS:
o EQ39 o DDC45
[ TS119 ] Animation C1 ENERGY= 328.9 kJ/mol
Energy+ZPE= 319.6 kJ/mol ZPE= 0.0925364
CONNECTIONS:
o EQ40 o EQ42
[ TS120 ] Animation C1 ENERGY= 332.6 kJ/mol
Energy+ZPE= 322.7 kJ/mol ZPE= 0.0923068
CONNECTIONS:
o EQ40 o EQ44
[ TS121 ] Animation C1 ENERGY= 354.5 kJ/mol
Energy+ZPE= 345.2 kJ/mol ZPE= 0.0925564
CONNECTIONS:
o EQ40 o EQ44
[ TS122 ] Animation C1 ENERGY= 339.8 kJ/mol
Energy+ZPE= 330.3 kJ/mol ZPE= 0.0924636
CONNECTIONS:
o EQ40 o EQ45
[ TS123 ] Animation C1 ENERGY= 548.8 kJ/mol
Energy+ZPE= 529.4 kJ/mol ZPE= 0.0886866
CONNECTIONS:
o EQ40 o EQ69
[ TS124 ] Animation C1 ENERGY= 626.3 kJ/mol
Energy+ZPE= 604.3 kJ/mol ZPE= 0.0877191
CONNECTIONS:
o EQ40 o DDC46
[ TS125 ] Animation C1 ENERGY= 748.2 kJ/mol
Energy+ZPE= 704.0 kJ/mol ZPE= 0.0792567
CONNECTIONS:
o EQ40 o DDC47
[ TS126 ] Animation C1 ENERGY= 334.7 kJ/mol
Energy+ZPE= 325.1 kJ/mol ZPE= 0.0924394
CONNECTIONS:
o EQ41 o EQ45
[ TS127 ] Animation C1 ENERGY= 330.7 kJ/mol
Energy+ZPE= 321.7 kJ/mol ZPE= 0.0926472
CONNECTIONS:
o EQ41 o EQ46
[ TS128 ] Animation C1 ENERGY= 609.8 kJ/mol
Energy+ZPE= 579.4 kJ/mol ZPE= 0.0844914
CONNECTIONS:
o EQ41 o DDC48
[ TS129 ] Animation C1 ENERGY= 643.6 kJ/mol
Energy+ZPE= 605.0 kJ/mol ZPE= 0.0813950
CONNECTIONS:
o EQ41 o DDC49
[ TS130 ] Animation C1 ENERGY= 353.1 kJ/mol
Energy+ZPE= 344.2 kJ/mol ZPE= 0.0926735
CONNECTIONS:
o EQ42 o EQ44
[ TS131 ] Animation C1 ENERGY= 341.3 kJ/mol
Energy+ZPE= 331.5 kJ/mol ZPE= 0.0923314
CONNECTIONS:
o EQ42 o EQ47
[ TS132 ] Animation C1 ENERGY= 333.6 kJ/mol
Energy+ZPE= 323.6 kJ/mol ZPE= 0.0922761
CONNECTIONS:
o EQ42 o EQ48
[ TS133 ] Animation C1 ENERGY= 572.0 kJ/mol
Energy+ZPE= 544.0 kJ/mol ZPE= 0.0853989
CONNECTIONS:
o EQ42 o DDC50
[ TS134 ] Animation C1 ENERGY= 618.0 kJ/mol
Energy+ZPE= 585.8 kJ/mol ZPE= 0.0838240
CONNECTIONS:
o EQ42 o DDC51
[ TS135 ] Animation C1 ENERGY= 335.1 kJ/mol
Energy+ZPE= 325.5 kJ/mol ZPE= 0.0924139
CONNECTIONS:
o EQ43 o EQ47
[ TS136 ] Animation C1 ENERGY= 698.8 kJ/mol
Energy+ZPE= 657.3 kJ/mol ZPE= 0.0802897
CONNECTIONS:
o EQ43 o DDC52
[ TS137 ] Animation C1 ENERGY= 340.4 kJ/mol
Energy+ZPE= 330.8 kJ/mol ZPE= 0.0924191
CONNECTIONS:
o EQ44 o EQ47
[ TS138 ] Animation C1 ENERGY= 330.7 kJ/mol
Energy+ZPE= 321.2 kJ/mol ZPE= 0.0924472
CONNECTIONS:
o EQ44 o EQ48
[ TS139 ] Animation C1 ENERGY= 616.4 kJ/mol
Energy+ZPE= 584.6 kJ/mol ZPE= 0.0839625
CONNECTIONS:
o EQ44 o DDC53
[ TS140 ] Animation C1 ENERGY= 665.7 kJ/mol
Energy+ZPE= 626.6 kJ/mol ZPE= 0.0811817
CONNECTIONS:
o EQ44 o DDC54
[ TS141 ] Animation C1 ENERGY= 748.5 kJ/mol
Energy+ZPE= 704.2 kJ/mol ZPE= 0.0791995
CONNECTIONS:
o EQ44 o DDC55
[ TS142 ] Animation Cs ENERGY= 703.6 kJ/mol
Energy+ZPE= 681.8 kJ/mol ZPE= 0.0877849
CONNECTIONS:
o EQ45 o EQ45
[ TS143 ] Animation C1 ENERGY= 330.8 kJ/mol
Energy+ZPE= 321.0 kJ/mol ZPE= 0.0923378
CONNECTIONS:
o EQ45 o EQ47
[ TS144 ] Animation C1 ENERGY= 332.5 kJ/mol
Energy+ZPE= 322.2 kJ/mol ZPE= 0.0921697
CONNECTIONS:
o EQ45 o EQ47
[ TS145 ] Animation C1 ENERGY= 359.3 kJ/mol
Energy+ZPE= 349.0 kJ/mol ZPE= 0.0921500
CONNECTIONS:
o EQ45 o EQ47
[ TS146 ] Animation C1 ENERGY= 340.8 kJ/mol
Energy+ZPE= 331.2 kJ/mol ZPE= 0.0924133
CONNECTIONS:
o EQ45 o EQ48
[ TS147 ] Animation C1 ENERGY= 671.1 kJ/mol
Energy+ZPE= 650.9 kJ/mol ZPE= 0.0883813
CONNECTIONS:
o EQ45 o EQ71
[ TS148 ] Animation C1 ENERGY= 608.9 kJ/mol
Energy+ZPE= 577.9 kJ/mol ZPE= 0.0842621
CONNECTIONS:
o EQ46 o DDC56
[ TS149 ] Animation C1 ENERGY= 708.4 kJ/mol
Energy+ZPE= 681.0 kJ/mol ZPE= 0.0856486
CONNECTIONS:
o EQ46 o DDC57
[ TS150 ] Animation C1 ENERGY= 639.3 kJ/mol
Energy+ZPE= 612.0 kJ/mol ZPE= 0.0856972
CONNECTIONS:
o EQ47 o DDC58
[ TS151 ] Animation C1 ENERGY= 746.2 kJ/mol
Energy+ZPE= 701.0 kJ/mol ZPE= 0.0788497
CONNECTIONS:
o EQ47 o DDC59
[ TS152 ] Animation C1 ENERGY= 552.4 kJ/mol
Energy+ZPE= 523.0 kJ/mol ZPE= 0.0848872
CONNECTIONS:
o EQ48 o DDC60
[ TS153 ] Animation C1 ENERGY= 741.7 kJ/mol
Energy+ZPE= 699.1 kJ/mol ZPE= 0.0798573
CONNECTIONS:
o EQ48 o DDC61
[ TS154 ] Animation C1 ENERGY= 377.0 kJ/mol
Energy+ZPE= 367.1 kJ/mol ZPE= 0.0923256
CONNECTIONS:
o EQ50 o EQ51
[ TS155 ] Animation C1 ENERGY= 374.2 kJ/mol
Energy+ZPE= 364.8 kJ/mol ZPE= 0.0925165
CONNECTIONS:
o EQ51 o EQ52
[ TS156 ] Animation C1 ENERGY= 520.6 kJ/mol
Energy+ZPE= 513.8 kJ/mol ZPE= 0.0934823
CONNECTIONS:
o EQ64 o EQ68
[ TS157 ] Animation C1 ENERGY= 1058.8 kJ/mol
Energy+ZPE= 1032.7 kJ/mol ZPE= 0.0861515
CONNECTIONS:
o EQ84 o DDC62
[ TS158 ] Animation C1 ENERGY= 517.4 kJ/mol
Energy+ZPE= 496.1 kJ/mol ZPE= 0.0879607
CONNECTIONS:
o DDC64 o DDC63
[ TS159 ] Animation C1 ENERGY= 572.7 kJ/mol
Energy+ZPE= 555.3 kJ/mol ZPE= 0.0894454
CONNECTIONS:
o DDC66 o DDC65
[ TS160 ] Animation C1 ENERGY= 587.3 kJ/mol
Energy+ZPE= 568.9 kJ/mol ZPE= 0.0890756
CONNECTIONS:
o DDC68 o DDC67
[ TS161 ] Animation C1 ENERGY= 680.8 kJ/mol
Energy+ZPE= 656.7 kJ/mol ZPE= 0.0869106
CONNECTIONS:
o DDC70 o DDC69
[ TS162 ] Animation C1 ENERGY= 683.3 kJ/mol
Energy+ZPE= 659.1 kJ/mol ZPE= 0.0868798
CONNECTIONS:
o DDC72 o DDC71
[ TS163 ] Animation C1 ENERGY= 683.3 kJ/mol
Energy+ZPE= 658.2 kJ/mol ZPE= 0.0865387
CONNECTIONS:
o DDC74 o DDC73
[ TS164 ] Animation C1 ENERGY= 701.5 kJ/mol
Energy+ZPE= 675.6 kJ/mol ZPE= 0.0862033
CONNECTIONS:
o DDC76 o DDC75
[ TS165 ] Animation C1 ENERGY= 702.6 kJ/mol
Energy+ZPE= 677.9 kJ/mol ZPE= 0.0866650
CONNECTIONS:
o DDC78 o DDC77
[ TS166 ] Animation C1 ENERGY= 717.9 kJ/mol
Energy+ZPE= 689.7 kJ/mol ZPE= 0.0853455
CONNECTIONS:
o DDC80 o DDC79
[ TS167 ] Animation C1 ENERGY= 722.7 kJ/mol
Energy+ZPE= 694.5 kJ/mol ZPE= 0.0853389
CONNECTIONS:
o DDC82 o DDC81
[ TS168 ] Animation C1 ENERGY= 731.9 kJ/mol
Energy+ZPE= 706.7 kJ/mol ZPE= 0.0864825
CONNECTIONS:
o DDC84 o DDC83
[ TS169 ] Animation C1 ENERGY= 746.3 kJ/mol
Energy+ZPE= 721.6 kJ/mol ZPE= 0.0866693
CONNECTIONS:
o DDC86 o DDC85
[ TS170 ] Animation C1 ENERGY= 760.9 kJ/mol
Energy+ZPE= 714.1 kJ/mol ZPE= 0.0782512
CONNECTIONS:
o DDC88 o DDC87
[ DDC0 ]
C1 ENERGY= -8.0 kJ/mol
FRAGMENTS:
HCO2 H H4C2O
CONNECTIONS:
o TS0 o EQ1
[ DDC1 ]
C1 ENERGY= 117.3 kJ/mol
FRAGMENTS:
H4C3O2 H HO
CONNECTIONS:
o TS1 o EQ6
[ DDC2 ]
C1 ENERGY= 206.7 kJ/mol
FRAGMENTS:
H5C3O2 HO
CONNECTIONS:
o TS2 o EQ16
[ DDC3 ]
C1 ENERGY= 153.3 kJ/mol
FRAGMENTS:
H4C3O2 H HO
CONNECTIONS:
o TS12 o EQ26
[ DDC4 ]
C1 ENERGY= 285.4 kJ/mol
FRAGMENTS:
H4C3O2 H HO
CONNECTIONS:
o TS23 o EQ27
[ DDC5 ]
C1 ENERGY= 543.4 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS24 o EQ27
[ DDC6 ]
C1 ENERGY= 356.2 kJ/mol
FRAGMENTS:
CO H H5C2O2
CONNECTIONS:
o TS25 o EQ27
[ DDC7 ]
C1 ENERGY= 378.0 kJ/mol
FRAGMENTS:
CO H H5C2O2
CONNECTIONS:
o TS26 o EQ27
[ DDC8 ]
C1 ENERGY= 739.2 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS27 o EQ27
[ DDC9 ]
C1 ENERGY= 749.4 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS28 o EQ27
[ DDC10 ]
C1 ENERGY= 728.4 kJ/mol
FRAGMENTS:
H2CO H4C2O2
CONNECTIONS:
o TS29 o EQ27
[ DDC11 ]
C1 ENERGY= 168.6 kJ/mol
FRAGMENTS:
H2CO2 H4C2O
CONNECTIONS:
o TS37 o EQ28
[ DDC12 ]
C1 ENERGY= 404.0 kJ/mol
FRAGMENTS:
H2CO3 H4C2
CONNECTIONS:
o TS38 o EQ28
[ DDC13 ]
C1 ENERGY= 520.3 kJ/mol
FRAGMENTS:
H4C2O H2CO2
CONNECTIONS:
o TS39 o EQ28
[ DDC14 ]
C1 ENERGY= 477.6 kJ/mol
FRAGMENTS:
H4C2O2 H2CO
CONNECTIONS:
o TS40 o EQ28
[ DDC15 ]
C1 ENERGY= 513.3 kJ/mol
FRAGMENTS:
CO H H4C2O2 H
CONNECTIONS:
o TS41 o EQ28
[ DDC16 ]
C1 ENERGY= 527.0 kJ/mol
FRAGMENTS:
H3C3O2 H H HO
CONNECTIONS:
o TS42 o EQ28
[ DDC17 ]
C1 ENERGY= 552.7 kJ/mol
FRAGMENTS:
H4C2O H2CO2
CONNECTIONS:
o TS54 o EQ29
[ DDC18 ]
C1 ENERGY= 512.4 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS55 o EQ29
[ DDC19 ]
C1 ENERGY= 556.1 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS61 o EQ30
[ DDC20 ]
C1 ENERGY= 439.5 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS62 o EQ30
[ DDC21 ]
C1 ENERGY= 437.8 kJ/mol
FRAGMENTS:
H4C3O H HO2
CONNECTIONS:
o TS68 o EQ31
[ DDC22 ]
C1 ENERGY= 564.6 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS69 o EQ31
[ DDC23 ]
C1 ENERGY= 611.3 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS70 o EQ31
[ DDC24 ]
C1 ENERGY= 625.4 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS71 o EQ31
[ DDC25 ]
C1 ENERGY= 741.4 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS72 o EQ31
[ DDC26 ]
C1 ENERGY= 556.0 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS73 o EQ31
[ DDC27 ]
C1 ENERGY= 307.4 kJ/mol
FRAGMENTS:
H4C3O2 H HO
CONNECTIONS:
o TS76 o EQ32
[ DDC28 ]
C1 ENERGY= 123.9 kJ/mol
FRAGMENTS:
H5C3O2 HO
CONNECTIONS:
o TS77 o EQ32
[ DDC29 ]
C1 ENERGY= 759.9 kJ/mol
FRAGMENTS:
H2CO H4C2O2
CONNECTIONS:
o TS78 o EQ32
[ DDC30 ]
C1 ENERGY= 342.7 kJ/mol
FRAGMENTS:
H4C3O2 H HO
CONNECTIONS:
o TS84 o EQ33
[ DDC31 ]
C1 ENERGY= 398.2 kJ/mol
FRAGMENTS:
H5C3O2 HO
CONNECTIONS:
o TS85 o EQ33
[ DDC32 ]
C1 ENERGY= 515.4 kJ/mol
FRAGMENTS:
H4C2O H2CO2
CONNECTIONS:
o TS86 o EQ33
[ DDC33 ]
C1 ENERGY= 522.0 kJ/mol
FRAGMENTS:
H3C3O2 H H HO
CONNECTIONS:
o TS87 o EQ33
[ DDC34 ]
C1 ENERGY= 750.6 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS88 o EQ33
[ DDC35 ]
C1 ENERGY= 155.9 kJ/mol
FRAGMENTS:
H4C3O2 H HO
CONNECTIONS:
o TS96 o EQ35
[ DDC36 ]
C1 ENERGY= 532.8 kJ/mol
FRAGMENTS:
CO H H4C2O2 H
CONNECTIONS:
o TS97 o EQ35
[ DDC37 ]
C1 ENERGY= 541.0 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS98 o EQ35
[ DDC38 ]
C1 ENERGY= 425.9 kJ/mol
FRAGMENTS:
H4C3O H HO2
CONNECTIONS:
o TS105 o EQ36
[ DDC39 ]
C1 ENERGY= 555.0 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS106 o EQ36
[ DDC40 ]
C1 ENERGY= 559.5 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS107 o EQ36
[ DDC41 ]
C1 ENERGY= 612.6 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS108 o EQ36
[ DDC42 ]
C1 ENERGY= 422.6 kJ/mol
FRAGMENTS:
H4C3O H HO2
CONNECTIONS:
o TS112 o EQ37
[ DDC43 ]
C1 ENERGY= 192.6 kJ/mol
FRAGMENTS:
H6C3O3
CONNECTIONS:
o TS115 o EQ38
[ DDC44 ]
C1 ENERGY= 297.0 kJ/mol
FRAGMENTS:
H4C3O2 H HO
CONNECTIONS:
o TS117 o EQ39
[ DDC45 ]
C1 ENERGY= 581.2 kJ/mol
FRAGMENTS:
H2CO3 H4C2
CONNECTIONS:
o TS118 o EQ39
[ DDC46 ]
C1 ENERGY= 455.6 kJ/mol
FRAGMENTS:
H2CO H4C2O2
CONNECTIONS:
o TS124 o EQ40
[ DDC47 ]
C1 ENERGY= 545.9 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS125 o EQ40
[ DDC48 ]
C1 ENERGY= 555.7 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS128 o EQ41
[ DDC49 ]
C1 ENERGY= 515.5 kJ/mol
FRAGMENTS:
CO H H4C2O2 H
CONNECTIONS:
o TS129 o EQ41
[ DDC50 ]
C1 ENERGY= 302.1 kJ/mol
FRAGMENTS:
H4C3O2 H HO
CONNECTIONS:
o TS133 o EQ42
[ DDC51 ]
C1 ENERGY= 121.8 kJ/mol
FRAGMENTS:
H5C3O2 HO
CONNECTIONS:
o TS134 o EQ42
[ DDC52 ]
C1 ENERGY= 605.5 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS136 o EQ43
[ DDC53 ]
C1 ENERGY= 512.3 kJ/mol
FRAGMENTS:
H4C2O H2CO2
CONNECTIONS:
o TS139 o EQ44
[ DDC54 ]
C1 ENERGY= 537.8 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS140 o EQ44
[ DDC55 ]
C1 ENERGY= 541.6 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS141 o EQ44
[ DDC56 ]
C1 ENERGY= 554.5 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS148 o EQ46
[ DDC57 ]
C1 ENERGY= 134.8 kJ/mol
FRAGMENTS:
H5C3O2 HO
CONNECTIONS:
o TS149 o EQ46
[ DDC58 ]
C1 ENERGY= 404.8 kJ/mol
FRAGMENTS:
H5C3O2 HO
CONNECTIONS:
o TS150 o EQ47
[ DDC59 ]
C1 ENERGY= 575.8 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS151 o EQ47
[ DDC60 ]
C1 ENERGY= 159.8 kJ/mol
FRAGMENTS:
H4C3O2 H HO
CONNECTIONS:
o TS152 o EQ48
[ DDC61 ]
C1 ENERGY= 556.7 kJ/mol
FRAGMENTS:
H4C3O3 H H
CONNECTIONS:
o TS153 o EQ48
[ DDC62 ]
C1 ENERGY= 581.4 kJ/mol
FRAGMENTS:
H6C3O3
CONNECTIONS:
o TS157 o EQ84
[ DDC63 ]
C1 ENERGY= 506.6 kJ/mol
FRAGMENTS:
H5C3O2 HO
CONNECTIONS:
o TS158 o DDC64
[ DDC64 ]
C1 ENERGY= 332.5 kJ/mol
FRAGMENTS:
H5C3O2 HO
CONNECTIONS:
o TS158 o DDC63
[ DDC65 ]
C1 ENERGY= 572.3 kJ/mol
FRAGMENTS:
H4C3O H HO2
CONNECTIONS:
o TS159 o DDC66
[ DDC66 ]
C1 ENERGY= 571.7 kJ/mol
FRAGMENTS:
H4C3O H HO2
CONNECTIONS:
o TS159 o DDC65
[ DDC67 ]
C1 ENERGY= 585.7 kJ/mol
FRAGMENTS:
H4C3O H HO2
CONNECTIONS:
o TS160 o DDC68
[ DDC68 ]
C1 ENERGY= 585.7 kJ/mol
FRAGMENTS:
H4C3O H HO2
CONNECTIONS:
o TS160 o DDC67
[ DDC69 ]
C1 ENERGY= 631.9 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS161 o DDC70
[ DDC70 ]
C1 ENERGY= 665.9 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS161 o DDC69
[ DDC71 ]
C1 ENERGY= 458.8 kJ/mol
FRAGMENTS:
H6C3O3
CONNECTIONS:
o TS162 o DDC72
[ DDC72 ]
C1 ENERGY= 574.9 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS162 o DDC71
[ DDC73 ]
C1 ENERGY= 642.1 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS163 o DDC74
[ DDC74 ]
C1 ENERGY= 666.8 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS163 o DDC73
[ DDC75 ]
C1 ENERGY= 644.5 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS164 o DDC76
[ DDC76 ]
C1 ENERGY= 653.6 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS164 o DDC75
[ DDC77 ]
C1 ENERGY= 654.8 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS165 o DDC78
[ DDC78 ]
C1 ENERGY= 655.5 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS165 o DDC77
[ DDC79 ]
C1 ENERGY= 715.7 kJ/mol
FRAGMENTS:
H4C3O H HO2
CONNECTIONS:
o TS166 o DDC80
[ DDC80 ]
C1 ENERGY= 709.1 kJ/mol
FRAGMENTS:
H4C3O H HO2
CONNECTIONS:
o TS166 o DDC79
[ DDC81 ]
C1 ENERGY= 722.0 kJ/mol
FRAGMENTS:
H2C2O H H3CO2
CONNECTIONS:
o TS167 o DDC82
[ DDC82 ]
C1 ENERGY= 722.4 kJ/mol
FRAGMENTS:
H2C2O H H3CO2
CONNECTIONS:
o TS167 o DDC81
[ DDC83 ]
C1 ENERGY= 714.9 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS168 o DDC84
[ DDC84 ]
C1 ENERGY= 714.8 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS168 o DDC83
[ DDC85 ]
C1 ENERGY= 712.7 kJ/mol
FRAGMENTS:
H6C3O O2
CONNECTIONS:
o TS169 o DDC86
[ DDC86 ]
C1 ENERGY= 590.3 kJ/mol
FRAGMENTS:
H5C3O HO2
CONNECTIONS:
o TS169 o DDC85
[ DDC87 ]
C1 ENERGY= 485.2 kJ/mol
FRAGMENTS:
H2CO H4C2O2
CONNECTIONS:
o TS170 o DDC88
[ DDC88 ]
C1 ENERGY= 517.0 kJ/mol
FRAGMENTS:
HCO H H3C2O2 H
CONNECTIONS:
o TS170 o DDC87
[ UDC0 ]
C1 ENERGY= 752.8 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ26 o
[ UDC1 ]
C1 ENERGY= 783.6 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ26 o
[ UDC2 ]
C1 ENERGY= 801.8 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ27 o
[ UDC3 ]
C1 ENERGY= 808.7 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ32 o
[ UDC4 ]
C1 ENERGY= 1226.8 kJ/mol
FRAGMENTS:
H6C3O2 O
CONNECTIONS:
o EQ35 o
[ UDC5 ]
C1 ENERGY= 774.7 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ38 o
[ UDC6 ]
C1 ENERGY= 792.6 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ38 o
[ UDC7 ]
C1 ENERGY= 800.9 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ39 o
[ UDC8 ]
C1 ENERGY= 792.2 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ40 o
[ UDC9 ]
C1 ENERGY= 732.5 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ44 o
[ UDC10 ]
C1 ENERGY= 1243.3 kJ/mol
FRAGMENTS:
H6C3O2 O
CONNECTIONS:
o EQ44 o
[ UDC11 ]
C1 ENERGY= 739.7 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ45 o
[ UDC12 ]
C1 ENERGY= 1242.9 kJ/mol
FRAGMENTS:
H6C3O2 O
CONNECTIONS:
o EQ45 o
[ UDC13 ]
C1 ENERGY= 739.3 kJ/mol
FRAGMENTS:
H5C3O3 H
CONNECTIONS:
o EQ47 o
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