Reaction Routes of
H4C2O
Explored by
_
G_
R_
R_
M
at the Level of
RHF/6-31+G*
© 2009 Koichi OHNO
Cs ENERGY= 0.0 kJ/mol ( -152.9211210 Hartree)
CONNECTIONS:
o TS0 ( 4.2) o EQ0
o TS1 (491.4) o EQ0
o TS2 (377.6) o EQ1
o TS3 (476.4) o EQ3
o TS4 (418.4) o EQ4
o TS5 (527.4) o EQ6
o TS6 (592.6) o EQ6
o TS7 (474.8) o DDC0
o TS8 (482.7) o DDC1
o TS9 (492.2) o DDC2
o TS10(612.8) o DDC3
o UDC0 o
o UDC1 o
Cs ENERGY= 66.9 kJ/mol ( -152.8956251 Hartree)
CONNECTIONS:
o TS2 (377.6) o EQ0
o TS11(347.9) o EQ1
o TS12(627.4) o EQ1
o TS13( 84.6) o EQ2
o TS14(604.3) o EQ4
o TS15(394.3) o EQ5
o TS16(371.6) o EQ8
o TS17(381.9) o EQ10
o TS18(540.7) o EQ12
o TS19(502.8) o DDC4
o TS20(560.7) o DDC5
o TS21(561.2) o DDC6
o UDC2 o
o UDC3 o
Cs ENERGY= 74.1 kJ/mol ( -152.8928848 Hartree)
CONNECTIONS:
o TS13( 84.6) o EQ1
o TS22(405.3) o EQ2
o TS23(407.6) o EQ2
o TS24(709.0) o EQ2
o TS25(367.3) o EQ4
o TS26(628.0) o EQ5
o TS27(383.0) o EQ9
o TS28(532.6) o EQ10
o TS29(398.2) o EQ11
o TS30(509.0) o EQ12
o TS31(485.4) o DDC7
o TS32(550.4) o DDC8
o TS33(552.6) o DDC9
o TS34(563.7) o DDC10
o TS35(679.5) o DDC11
o UDC4 o
o UDC5 o
o UDC6 o
C2v ENERGY= 129.4 kJ/mol ( -152.8718309 Hartree)
CONNECTIONS:
o TS3 (476.4) o EQ0
o TS36(483.5) o EQ7
o TS37(496.3) o EQ12
o TS38(491.9) o EQ13
o TS39(437.6) o DDC12
o TS40(606.2) o DDC13
o TS41(771.0) o DDC14
o UDC7 o
Cs ENERGY= 207.4 kJ/mol ( -152.8421163 Hartree)
CONNECTIONS:
o TS4 (418.4) o EQ0
o TS14(604.3) o EQ1
o TS25(367.3) o EQ2
o TS42(210.0) o EQ4
o TS43(666.5) o EQ4
o TS44(317.6) o EQ5
o TS45(318.9) o EQ5
o TS46(541.3) o EQ5
o TS47(760.5) o EQ5
o TS48(748.2) o EQ11
o TS49(875.6) o EQ16
o TS50(586.7) o DDC15
o TS51(613.0) o DDC16
o TS52(693.7) o DDC17
o UDC8 o
o UDC9 o
Cs ENERGY= 231.8 kJ/mol ( -152.8328299 Hartree)
CONNECTIONS:
o TS15(394.3) o EQ1
o TS26(628.0) o EQ2
o TS44(317.6) o EQ4
o TS45(318.9) o EQ4
o TS46(541.3) o EQ4
o TS47(760.5) o EQ4
o TS53(236.5) o EQ5
o TS54(504.4) o DDC18
o TS55(551.5) o DDC19
o TS56(596.9) o DDC20
o TS57(608.0) o DDC21
o TS58(636.4) o DDC22
o UDC10 o
Cs ENERGY= 265.8 kJ/mol ( -152.8198864 Hartree)
CONNECTIONS:
o TS5 (527.4) o EQ0
o TS6 (592.6) o EQ0
o TS59(268.0) o EQ6
o TS60(381.1) o EQ7
o TS61(719.9) o EQ10
o TS62(547.8) o EQ14
o TS63(791.7) o EQ16
o TS64(752.2) o DDC23
o TS65(754.5) o DDC24
o UDC11 o
o UDC12 o
o UDC13 o
Cs ENERGY= 290.7 kJ/mol ( -152.8104070 Hartree)
CONNECTIONS:
o TS36(483.5) o EQ3
o TS60(381.1) o EQ6
o TS66(292.0) o EQ7
o TS67(584.4) o DDC25
o TS68(642.2) o DDC26
o TS69(762.3) o DDC27
o TS70(778.9) o DDC28
o UDC14 o
C1 ENERGY= 359.9 kJ/mol ( -152.7840567 Hartree)
CONNECTIONS:
o TS16(371.6) o EQ1
o TS71(360.0) o EQ8
o TS72(417.2) o EQ10
o TS73(498.9) o EQ10
o TS74(379.0) o EQ11
o TS75(399.9) o EQ12
o TS76(627.3) o DDC29
o TS77(800.1) o DDC30
Cs ENERGY= 365.3 kJ/mol ( -152.7819871 Hartree)
CONNECTIONS:
o TS27(383.0) o EQ2
o TS78(370.6) o EQ10
o TS79(417.2) o EQ11
o TS80(642.7) o DDC31
o TS81(675.4) o DDC32
o UDC15 o
o UDC16 o
C1 ENERGY= 369.9 kJ/mol ( -152.7802497 Hartree)
CONNECTIONS:
o TS17(381.9) o EQ1
o TS28(532.6) o EQ2
o TS61(719.9) o EQ6
o TS72(417.2) o EQ8
o TS73(498.9) o EQ8
o TS78(370.6) o EQ9
o TS82(376.0) o EQ10
o TS83(398.0) o EQ12
o TS84(628.2) o DDC33
o TS85(639.5) o DDC34
o TS86(816.4) o DDC35
o TS87(915.1) o DDC36
o UDC17 o
Cs ENERGY= 374.4 kJ/mol ( -152.7785381 Hartree)
CONNECTIONS:
o TS29(398.2) o EQ2
o TS48(748.2) o EQ4
o TS74(379.0) o EQ8
o TS79(417.2) o EQ9
o UDC18 o
o UDC19 o
C1 ENERGY= 397.6 kJ/mol ( -152.7697004 Hartree)
CONNECTIONS:
o TS18(540.7) o EQ1
o TS30(509.0) o EQ2
o TS37(496.3) o EQ3
o TS75(399.9) o EQ8
o TS83(398.0) o EQ10
o TS88(663.5) o DDC37
o TS89(710.1) o DDC38
C2v ENERGY= 414.9 kJ/mol ( -152.7630886 Hartree)
CONNECTIONS:
o TS38(491.9) o EQ3
o TS90(467.1) o EQ13
o TS91(441.1) o EQ14
Cs ENERGY= 423.4 kJ/mol ( -152.7598554 Hartree)
CONNECTIONS:
o TS62(547.8) o EQ6
o TS91(441.1) o EQ13
o UDC20 o
Cs ENERGY= 651.3 kJ/mol ( -152.6730673 Hartree)
CONNECTIONS:
o TS92(651.6) o EQ15
o TS93(659.8) o DDC39
Cs ENERGY= 707.9 kJ/mol ( -152.6514840 Hartree)
CONNECTIONS:
o TS49(875.6) o EQ4
o TS63(791.7) o EQ6
o TS94(710.7) o EQ16
o TS95(807.0) o DDC40
o TS96(819.2) o DDC41
o TS97(877.2) o DDC42
o TS98(1167.2) o DDC43
o TS99(1187.2) o DDC44
o UDC21 o
o UDC22 o
[ TS0 ]
Cs ENERGY= 4.2 kJ/mol
CONNECTIONS:
o EQ0 o EQ0
[ TS1 ]
C1 ENERGY= 491.4 kJ/mol
CONNECTIONS:
o EQ0 o EQ0
[ TS2 ]
C1 ENERGY= 377.6 kJ/mol
CONNECTIONS:
o EQ0 o EQ1
[ TS3 ]
C1 ENERGY= 476.4 kJ/mol
CONNECTIONS:
o EQ0 o EQ3
[ TS4 ]
Cs ENERGY= 418.4 kJ/mol
CONNECTIONS:
o EQ0 o EQ4
[ TS5 ]
C1 ENERGY= 527.4 kJ/mol
CONNECTIONS:
o EQ0 o EQ6
[ TS6 ]
Cs ENERGY= 592.6 kJ/mol
CONNECTIONS:
o EQ0 o EQ6
[ TS7 ]
C1 ENERGY= 474.8 kJ/mol
CONNECTIONS:
o EQ0 o DDC0
[ TS8 ]
C1 ENERGY= 482.7 kJ/mol
CONNECTIONS:
o EQ0 o DDC1
[ TS9 ]
C1 ENERGY= 492.2 kJ/mol
CONNECTIONS:
o EQ0 o DDC2
[ TS10 ]
C1 ENERGY= 612.8 kJ/mol
CONNECTIONS:
o EQ0 o DDC3
[ TS11 ]
Cs ENERGY= 347.9 kJ/mol
CONNECTIONS:
o EQ1 o EQ1
[ TS12 ]
Cs ENERGY= 627.4 kJ/mol
CONNECTIONS:
o EQ1 o EQ1
[ TS13 ]
C1 ENERGY= 84.6 kJ/mol
CONNECTIONS:
o EQ1 o EQ2
[ TS14 ]
C1 ENERGY= 604.3 kJ/mol
CONNECTIONS:
o EQ1 o EQ4
[ TS15 ]
C1 ENERGY= 394.3 kJ/mol
CONNECTIONS:
o EQ1 o EQ5
[ TS16 ]
C1 ENERGY= 371.6 kJ/mol
CONNECTIONS:
o EQ1 o EQ8
[ TS17 ]
C1 ENERGY= 381.9 kJ/mol
CONNECTIONS:
o EQ1 o EQ10
[ TS18 ]
C1 ENERGY= 540.7 kJ/mol
CONNECTIONS:
o EQ1 o EQ12
[ TS19 ]
C1 ENERGY= 502.8 kJ/mol
CONNECTIONS:
o EQ1 o DDC4
[ TS20 ]
Cs ENERGY= 560.7 kJ/mol
CONNECTIONS:
o EQ1 o DDC5
[ TS21 ]
Cs ENERGY= 561.2 kJ/mol
CONNECTIONS:
o EQ1 o DDC6
[ TS22 ]
Cs ENERGY= 405.3 kJ/mol
CONNECTIONS:
o EQ2 o EQ2
[ TS23 ]
Cs ENERGY= 407.6 kJ/mol
CONNECTIONS:
o EQ2 o EQ2
[ TS24 ]
C2v ENERGY= 709.0 kJ/mol
CONNECTIONS:
o EQ2 o EQ2
[ TS25 ]
C1 ENERGY= 367.3 kJ/mol
CONNECTIONS:
o EQ2 o EQ4
[ TS26 ]
C1 ENERGY= 628.0 kJ/mol
CONNECTIONS:
o EQ2 o EQ5
[ TS27 ]
C1 ENERGY= 383.0 kJ/mol
CONNECTIONS:
o EQ2 o EQ9
[ TS28 ]
C1 ENERGY= 532.6 kJ/mol
CONNECTIONS:
o EQ2 o EQ10
[ TS29 ]
C1 ENERGY= 398.2 kJ/mol
CONNECTIONS:
o EQ2 o EQ11
[ TS30 ]
C1 ENERGY= 509.0 kJ/mol
CONNECTIONS:
o EQ2 o EQ12
[ TS31 ]
C1 ENERGY= 485.4 kJ/mol
CONNECTIONS:
o EQ2 o DDC7
[ TS32 ]
Cs ENERGY= 550.4 kJ/mol
CONNECTIONS:
o EQ2 o DDC8
[ TS33 ]
Cs ENERGY= 552.6 kJ/mol
CONNECTIONS:
o EQ2 o DDC9
[ TS34 ]
Cs ENERGY= 563.7 kJ/mol
CONNECTIONS:
o EQ2 o DDC10
[ TS35 ]
C1 ENERGY= 679.5 kJ/mol
CONNECTIONS:
o EQ2 o DDC11
[ TS36 ]
C1 ENERGY= 483.5 kJ/mol
CONNECTIONS:
o EQ3 o EQ7
[ TS37 ]
C1 ENERGY= 496.3 kJ/mol
CONNECTIONS:
o EQ3 o EQ12
[ TS38 ]
C2 ENERGY= 491.9 kJ/mol
CONNECTIONS:
o EQ3 o EQ13
[ TS39 ]
C1 ENERGY= 437.6 kJ/mol
CONNECTIONS:
o EQ3 o DDC12
[ TS40 ]
C1 ENERGY= 606.2 kJ/mol
CONNECTIONS:
o EQ3 o DDC13
[ TS41 ]
C1 ENERGY= 771.0 kJ/mol
CONNECTIONS:
o EQ3 o DDC14
[ TS42 ]
Cs ENERGY= 210.0 kJ/mol
CONNECTIONS:
o EQ4 o EQ4
[ TS43 ]
Cs ENERGY= 666.5 kJ/mol
CONNECTIONS:
o EQ4 o EQ4
[ TS44 ]
C1 ENERGY= 317.6 kJ/mol
CONNECTIONS:
o EQ4 o EQ5
[ TS45 ]
C1 ENERGY= 318.9 kJ/mol
CONNECTIONS:
o EQ4 o EQ5
[ TS46 ]
C1 ENERGY= 541.3 kJ/mol
CONNECTIONS:
o EQ4 o EQ5
[ TS47 ]
C1 ENERGY= 760.5 kJ/mol
CONNECTIONS:
o EQ4 o EQ5
[ TS48 ]
Cs ENERGY= 748.2 kJ/mol
CONNECTIONS:
o EQ4 o EQ11
[ TS49 ]
C1 ENERGY= 875.6 kJ/mol
CONNECTIONS:
o EQ4 o EQ16
[ TS50 ]
C1 ENERGY= 586.7 kJ/mol
CONNECTIONS:
o EQ4 o DDC15
[ TS51 ]
Cs ENERGY= 613.0 kJ/mol
CONNECTIONS:
o EQ4 o DDC16
[ TS52 ]
C1 ENERGY= 693.7 kJ/mol
CONNECTIONS:
o EQ4 o DDC17
[ TS53 ]
Cs ENERGY= 236.5 kJ/mol
CONNECTIONS:
o EQ5 o EQ5
[ TS54 ]
Cs ENERGY= 504.4 kJ/mol
CONNECTIONS:
o EQ5 o DDC18
[ TS55 ]
Cs ENERGY= 551.5 kJ/mol
CONNECTIONS:
o EQ5 o DDC19
[ TS56 ]
Cs ENERGY= 596.9 kJ/mol
CONNECTIONS:
o EQ5 o DDC20
[ TS57 ]
Cs ENERGY= 608.0 kJ/mol
CONNECTIONS:
o EQ5 o DDC21
[ TS58 ]
Cs ENERGY= 636.4 kJ/mol
CONNECTIONS:
o EQ5 o DDC22
[ TS59 ]
Cs ENERGY= 268.0 kJ/mol
CONNECTIONS:
o EQ6 o EQ6
[ TS60 ]
C1 ENERGY= 381.1 kJ/mol
CONNECTIONS:
o EQ6 o EQ7
[ TS61 ]
C1 ENERGY= 719.9 kJ/mol
CONNECTIONS:
o EQ6 o EQ10
[ TS62 ]
Cs ENERGY= 547.8 kJ/mol
CONNECTIONS:
o EQ6 o EQ14
[ TS63 ]
C1 ENERGY= 791.7 kJ/mol
CONNECTIONS:
o EQ6 o EQ16
[ TS64 ]
C1 ENERGY= 752.2 kJ/mol
CONNECTIONS:
o EQ6 o DDC23
[ TS65 ]
C1 ENERGY= 754.5 kJ/mol
CONNECTIONS:
o EQ6 o DDC24
[ TS66 ]
Cs ENERGY= 292.0 kJ/mol
CONNECTIONS:
o EQ7 o EQ7
[ TS67 ]
Cs ENERGY= 584.4 kJ/mol
CONNECTIONS:
o EQ7 o DDC25
[ TS68 ]
Cs ENERGY= 642.2 kJ/mol
CONNECTIONS:
o EQ7 o DDC26
[ TS69 ]
C1 ENERGY= 762.3 kJ/mol
CONNECTIONS:
o EQ7 o DDC27
[ TS70 ]
C1 ENERGY= 778.9 kJ/mol
CONNECTIONS:
o EQ7 o DDC28
[ TS71 ]
Cs ENERGY= 360.0 kJ/mol
CONNECTIONS:
o EQ8 o EQ8
[ TS72 ]
C1 ENERGY= 417.2 kJ/mol
CONNECTIONS:
o EQ8 o EQ10
[ TS73 ]
C1 ENERGY= 498.9 kJ/mol
CONNECTIONS:
o EQ8 o EQ10
[ TS74 ]
C1 ENERGY= 379.0 kJ/mol
CONNECTIONS:
o EQ8 o EQ11
[ TS75 ]
C1 ENERGY= 399.9 kJ/mol
CONNECTIONS:
o EQ8 o EQ12
[ TS76 ]
C1 ENERGY= 627.3 kJ/mol
CONNECTIONS:
o EQ8 o DDC29
[ TS77 ]
C1 ENERGY= 800.1 kJ/mol
CONNECTIONS:
o EQ8 o DDC30
[ TS78 ]
C1 ENERGY= 370.6 kJ/mol
CONNECTIONS:
o EQ9 o EQ10
[ TS79 ]
C1 ENERGY= 417.2 kJ/mol
CONNECTIONS:
o EQ9 o EQ11
[ TS80 ]
C1 ENERGY= 642.7 kJ/mol
CONNECTIONS:
o EQ9 o DDC31
[ TS81 ]
Cs ENERGY= 675.4 kJ/mol
CONNECTIONS:
o EQ9 o DDC32
[ TS82 ]
Cs ENERGY= 376.0 kJ/mol
CONNECTIONS:
o EQ10 o EQ10
[ TS83 ]
C1 ENERGY= 398.0 kJ/mol
CONNECTIONS:
o EQ10 o EQ12
[ TS84 ]
C1 ENERGY= 628.2 kJ/mol
CONNECTIONS:
o EQ10 o DDC33
[ TS85 ]
C1 ENERGY= 639.5 kJ/mol
CONNECTIONS:
o EQ10 o DDC34
[ TS86 ]
C1 ENERGY= 816.4 kJ/mol
CONNECTIONS:
o EQ10 o DDC35
[ TS87 ]
C1 ENERGY= 915.1 kJ/mol
CONNECTIONS:
o EQ10 o DDC36
[ TS88 ]
C1 ENERGY= 663.5 kJ/mol
CONNECTIONS:
o EQ12 o DDC37
[ TS89 ]
C1 ENERGY= 710.1 kJ/mol
CONNECTIONS:
o EQ12 o DDC38
[ TS90 ]
D2h ENERGY= 467.1 kJ/mol
CONNECTIONS:
o EQ13 o EQ13
[ TS91 ]
C1 ENERGY= 441.1 kJ/mol
CONNECTIONS:
o EQ13 o EQ14
[ TS92 ]
Cs ENERGY= 651.6 kJ/mol
CONNECTIONS:
o EQ15 o EQ15
[ TS93 ]
Cs ENERGY= 659.8 kJ/mol
CONNECTIONS:
o EQ15 o DDC39
[ TS94 ]
Cs ENERGY= 710.7 kJ/mol
CONNECTIONS:
o EQ16 o EQ16
[ TS95 ]
Cs ENERGY= 807.0 kJ/mol
CONNECTIONS:
o EQ16 o DDC40
[ TS96 ]
Cs ENERGY= 819.2 kJ/mol
CONNECTIONS:
o EQ16 o DDC41
[ TS97 ]
Cs ENERGY= 877.2 kJ/mol
CONNECTIONS:
o EQ16 o DDC42
[ TS98 ]
C1 ENERGY= 1167.2 kJ/mol
CONNECTIONS:
o EQ16 o DDC43
[ TS99 ]
C1 ENERGY= 1187.2 kJ/mol
CONNECTIONS:
o EQ16 o DDC44
[ TS100 ]
Cs ENERGY= 443.2 kJ/mol
CONNECTIONS:
o DDC46 o DDC45
[ TS101 ]
Cs ENERGY= 526.7 kJ/mol
CONNECTIONS:
o DDC48 o DDC47
[ TS102 ]
Cs ENERGY= 581.1 kJ/mol
CONNECTIONS:
o DDC50 o DDC49
[ TS103 ]
C1 ENERGY= 682.3 kJ/mol
CONNECTIONS:
o DDC52 o DDC51
[ TS104 ]
Cs ENERGY= 740.7 kJ/mol
CONNECTIONS:
o DDC54 o DDC53
[ TS105 ]
C1 ENERGY= 751.0 kJ/mol
CONNECTIONS:
o DDC56 o DDC55
[ TS106 ]
Cs ENERGY= 767.9 kJ/mol
CONNECTIONS:
o DDC58 o DDC57
[ TS107 ]
Cs ENERGY= 812.6 kJ/mol
CONNECTIONS:
o DDC60 o DDC59
[ TS108 ]
C1 ENERGY= 860.4 kJ/mol
CONNECTIONS:
o DDC62 o DDC61
[ TS109 ]
C1 ENERGY= 876.4 kJ/mol
CONNECTIONS:
o DDC64 o DDC63
[ DDC0 ]
ENERGY= 468.3 kJ/mol
CONNECTIONS:
o TS7 o EQ0
[ DDC1 ]
ENERGY= 468.3 kJ/mol
CONNECTIONS:
o TS8 o EQ0
[ DDC2 ]
ENERGY= 455.2 kJ/mol
CONNECTIONS:
o TS9 o EQ0
[ DDC3 ]
ENERGY= -27.1 kJ/mol
CONNECTIONS:
o TS10 o EQ0
[ DDC4 ]
ENERGY= 347.0 kJ/mol
CONNECTIONS:
o TS19 o EQ1
[ DDC5 ]
ENERGY= 493.2 kJ/mol
CONNECTIONS:
o TS20 o EQ1
[ DDC6 ]
ENERGY= 492.6 kJ/mol
CONNECTIONS:
o TS21 o EQ1
[ DDC7 ]
ENERGY= 287.1 kJ/mol
CONNECTIONS:
o TS31 o EQ2
[ DDC8 ]
ENERGY= 497.6 kJ/mol
CONNECTIONS:
o TS32 o EQ2
[ DDC9 ]
ENERGY= 498.7 kJ/mol
CONNECTIONS:
o TS33 o EQ2
[ DDC10 ]
ENERGY= 500.9 kJ/mol
CONNECTIONS:
o TS34 o EQ2
[ DDC11 ]
ENERGY= 674.2 kJ/mol
CONNECTIONS:
o TS35 o EQ2
[ DDC12 ]
ENERGY= 425.7 kJ/mol
CONNECTIONS:
o TS39 o EQ3
[ DDC13 ]
ENERGY= 423.9 kJ/mol
CONNECTIONS:
o TS40 o EQ3
[ DDC14 ]
ENERGY= 502.9 kJ/mol
CONNECTIONS:
o TS41 o EQ3
[ DDC15 ]
ENERGY= 358.0 kJ/mol
CONNECTIONS:
o TS50 o EQ4
[ DDC16 ]
ENERGY= 363.9 kJ/mol
CONNECTIONS:
o TS51 o EQ4
[ DDC17 ]
ENERGY= 666.6 kJ/mol
CONNECTIONS:
o TS52 o EQ4
[ DDC18 ]
ENERGY= 177.4 kJ/mol
CONNECTIONS:
o TS54 o EQ5
[ DDC19 ]
ENERGY= -3.8 kJ/mol
CONNECTIONS:
o TS55 o EQ5
[ DDC20 ]
ENERGY= 340.2 kJ/mol
CONNECTIONS:
o TS56 o EQ5
[ DDC21 ]
ENERGY= -2.1 kJ/mol
CONNECTIONS:
o TS57 o EQ5
[ DDC22 ]
ENERGY= 365.1 kJ/mol
CONNECTIONS:
o TS58 o EQ5
[ DDC23 ]
ENERGY= 684.3 kJ/mol
CONNECTIONS:
o TS64 o EQ6
[ DDC24 ]
ENERGY= 683.7 kJ/mol
CONNECTIONS:
o TS65 o EQ6
[ DDC25 ]
ENERGY= 25.6 kJ/mol
CONNECTIONS:
o TS67 o EQ7
[ DDC26 ]
ENERGY= 468.0 kJ/mol
CONNECTIONS:
o TS68 o EQ7
[ DDC27 ]
ENERGY= 683.9 kJ/mol
CONNECTIONS:
o TS69 o EQ7
[ DDC28 ]
ENERGY= 711.1 kJ/mol
CONNECTIONS:
o TS70 o EQ7
[ DDC29 ]
ENERGY= 336.8 kJ/mol
CONNECTIONS:
o TS76 o EQ8
[ DDC30 ]
ENERGY= 749.2 kJ/mol
CONNECTIONS:
o TS77 o EQ8
[ DDC31 ]
ENERGY= 250.0 kJ/mol
CONNECTIONS:
o TS80 o EQ9
[ DDC32 ]
ENERGY= 353.0 kJ/mol
CONNECTIONS:
o TS81 o EQ9
[ DDC33 ]
ENERGY= 352.4 kJ/mol
CONNECTIONS:
o TS84 o EQ10
[ DDC34 ]
ENERGY= 239.7 kJ/mol
CONNECTIONS:
o TS85 o EQ10
[ DDC35 ]
ENERGY= 736.4 kJ/mol
CONNECTIONS:
o TS86 o EQ10
[ DDC36 ]
ENERGY= 519.6 kJ/mol
CONNECTIONS:
o TS87 o EQ10
[ DDC37 ]
ENERGY= 653.5 kJ/mol
CONNECTIONS:
o TS88 o EQ12
[ DDC38 ]
ENERGY= 654.5 kJ/mol
CONNECTIONS:
o TS89 o EQ12
[ DDC39 ]
ENERGY= 23.7 kJ/mol
CONNECTIONS:
o TS93 o EQ15
[ DDC40 ]
ENERGY= 766.1 kJ/mol
CONNECTIONS:
o TS95 o EQ16
[ DDC41 ]
ENERGY= 719.8 kJ/mol
CONNECTIONS:
o TS96 o EQ16
[ DDC42 ]
ENERGY= 651.4 kJ/mol
CONNECTIONS:
o TS97 o EQ16
[ DDC43 ]
ENERGY= 1064.3 kJ/mol
CONNECTIONS:
o TS98 o EQ16
[ DDC44 ]
ENERGY= 1092.2 kJ/mol
CONNECTIONS:
o TS99 o EQ16
[ DDC45 ]
ENERGY= 439.1 kJ/mol
CONNECTIONS:
o TS100 o DDC46
[ DDC46 ]
ENERGY= 439.1 kJ/mol
CONNECTIONS:
o TS100 o DDC45
[ DDC47 ]
ENERGY= 208.5 kJ/mol
CONNECTIONS:
o TS101 o DDC48
[ DDC48 ]
ENERGY= 208.5 kJ/mol
CONNECTIONS:
o TS101 o DDC47
[ DDC49 ]
ENERGY= 186.3 kJ/mol
CONNECTIONS:
o TS102 o DDC50
[ DDC50 ]
ENERGY= 335.5 kJ/mol
CONNECTIONS:
o TS102 o DDC49
[ DDC51 ]
ENERGY= 682.3 kJ/mol
CONNECTIONS:
o TS103 o DDC52
[ DDC52 ]
ENERGY= 682.3 kJ/mol
CONNECTIONS:
o TS103 o DDC51
[ DDC53 ]
ENERGY= 739.0 kJ/mol
CONNECTIONS:
o TS104 o DDC54
[ DDC54 ]
ENERGY= 735.6 kJ/mol
CONNECTIONS:
o TS104 o DDC53
[ DDC55 ]
ENERGY= 343.7 kJ/mol
CONNECTIONS:
o TS105 o DDC56
[ DDC56 ]
ENERGY= 343.5 kJ/mol
CONNECTIONS:
o TS105 o DDC55
[ DDC57 ]
ENERGY= 650.9 kJ/mol
CONNECTIONS:
o TS106 o DDC58
[ DDC58 ]
ENERGY= 648.6 kJ/mol
CONNECTIONS:
o TS106 o DDC57
[ DDC59 ]
ENERGY= 782.7 kJ/mol
CONNECTIONS:
o TS107 o DDC60
[ DDC60 ]
ENERGY= 7.9 kJ/mol
CONNECTIONS:
o TS107 o DDC59
[ DDC61 ]
ENERGY= 846.2 kJ/mol
CONNECTIONS:
o TS108 o DDC62
[ DDC62 ]
ENERGY= 431.9 kJ/mol
CONNECTIONS:
o TS108 o DDC61
[ DDC63 ]
ENERGY= 875.8 kJ/mol
CONNECTIONS:
o TS109 o DDC64
[ DDC64 ]
ENERGY= 874.0 kJ/mol
CONNECTIONS:
o TS109 o DDC63
[ UDC0 ]
Cs ENERGY= 502.1 kJ/mol
CONNECTIONS:
o EQ0 o
[ UDC1 ]
C1 ENERGY= 575.0 kJ/mol
CONNECTIONS:
o EQ0 o
[ UDC2 ]
Cs ENERGY= 674.3 kJ/mol
CONNECTIONS:
o EQ1 o
[ UDC3 ]
Cs ENERGY= 698.1 kJ/mol
CONNECTIONS:
o EQ1 o
[ UDC4 ]
Cs ENERGY= 707.7 kJ/mol
CONNECTIONS:
o EQ2 o
[ UDC5 ]
Cs ENERGY= 710.7 kJ/mol
CONNECTIONS:
o EQ2 o
[ UDC6 ]
C1 ENERGY= 771.2 kJ/mol
CONNECTIONS:
o EQ2 o
[ UDC7 ]
C1 ENERGY= 694.5 kJ/mol
CONNECTIONS:
o EQ3 o
[ UDC8 ]
Cs ENERGY= 749.6 kJ/mol
CONNECTIONS:
o EQ4 o
[ UDC9 ]
C1 ENERGY= 786.6 kJ/mol
CONNECTIONS:
o EQ4 o
[ UDC10 ]
C1 ENERGY= 800.2 kJ/mol
CONNECTIONS:
o EQ5 o
[ UDC11 ]
Cs ENERGY= 721.7 kJ/mol
CONNECTIONS:
o EQ6 o
[ UDC12 ]
C1 ENERGY= 830.2 kJ/mol
CONNECTIONS:
o EQ6 o
[ UDC13 ]
Cs ENERGY= 855.6 kJ/mol
CONNECTIONS:
o EQ6 o
[ UDC14 ]
C1 ENERGY= 858.2 kJ/mol
CONNECTIONS:
o EQ7 o
[ UDC15 ]
Cs ENERGY= 936.2 kJ/mol
CONNECTIONS:
o EQ9 o
[ UDC16 ]
Cs ENERGY= 1073.8 kJ/mol
CONNECTIONS:
o EQ9 o
[ UDC17 ]
C1 ENERGY= 1091.4 kJ/mol
CONNECTIONS:
o EQ10 o
[ UDC18 ]
Cs ENERGY= 896.0 kJ/mol
CONNECTIONS:
o EQ11 o
[ UDC19 ]
Cs ENERGY= 1098.4 kJ/mol
CONNECTIONS:
o EQ11 o
[ UDC20 ]
C1 ENERGY= 917.2 kJ/mol
CONNECTIONS:
o EQ14 o
[ UDC21 ]
Cs ENERGY= 736.3 kJ/mol
CONNECTIONS:
o EQ16 o
[ UDC22 ]
Cs ENERGY= 738.4 kJ/mol
CONNECTIONS:
o EQ16 o
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