Explored: EQ12 TS46

[ EQ0 ]
  Cs   ENERGY= 0.0 kJ/mol  ( -538.1853948 Hartree)
   Energy+ZPE= 0.0 kJ/mol ZPE=  0.0428472
  CONNECTIONS:
o TS0  (349.7)	o EQ0
o TS1  (304.7)	o EQ1
o TS2  (471.8)	o EQ1
o TS3  (315.7)	o EQ2
o TS4  (315.2)	o EQ3
o TS5  (340.1)	o EQ4
o TS6  (384.9)	o EQ4
o TS7  (345.5)	o EQ5
o TS8  (399.7)	o EQ5
o TS9  (322.0)	o DDC0
o TS10 (455.1)	o DDC1
o UDC0 		o
o UDC1 		o
o UDC2 		o

[ EQ1 ]
  C1   ENERGY= 241.5 kJ/mol  ( -538.0934110 Hartree)
   Energy+ZPE= 234.1 kJ/mol ZPE=  0.0400339
  CONNECTIONS:
o TS1  (304.7)	o EQ0
o TS2  (471.8)	o EQ0
o TS11 (241.5)	o EQ1
o TS12 (246.0)	o EQ1
o TS13 (471.6)	o DDC2
o TS14 (510.3)	o DDC3

[ EQ2 ]
  C2v  ENERGY= 309.0 kJ/mol  ( -538.0677142 Hartree)
   Energy+ZPE= 283.0 kJ/mol ZPE=  0.0329512
  CONNECTIONS:
o TS3  (315.7)	o EQ0
o TS15 (335.2)	o DDC4
o UDC3 		o
o UDC4 		o

[ EQ3 ]
  C1   ENERGY= 314.1 kJ/mol  ( -538.0657443 Hartree)
   Energy+ZPE= 302.2 kJ/mol ZPE=  0.0383107
  CONNECTIONS:
o TS4  (315.2)	o EQ0
o TS16 (315.0)	o EQ3
o TS17 (346.8)	o EQ5
o TS18 (361.8)	o DDC5
o TS19 (522.7)	o DDC6
o UDC5 		o

[ EQ4 ]
  C1   ENERGY= 332.4 kJ/mol  ( -538.0588064 Hartree)
   Energy+ZPE= 320.1 kJ/mol ZPE=  0.0381476
  CONNECTIONS:
o TS5  (340.1)	o EQ0
o TS6  (384.9)	o EQ0
o TS20 (332.7)	o EQ4
o TS21 (359.4)	o EQ5
o TS22 (400.5)	o DDC7
o TS23 (522.7)	o DDC8
o UDC6 		o

[ EQ5 ]
  C1   ENERGY= 336.3 kJ/mol  ( -538.0573119 Hartree)
   Energy+ZPE= 331.1 kJ/mol ZPE=  0.0408664
  CONNECTIONS:
o TS7  (345.5)	o EQ0
o TS8  (399.7)	o EQ0
o TS17 (346.8)	o EQ3
o TS21 (359.4)	o EQ4
o TS24 (609.2)	o EQ5
o TS25 (681.3)	o EQ5
o TS26 (704.9)	o EQ8
o TS27 (700.1)	o EQ9
o UDC7 		o

[ EQ6 ]
  Cs   ENERGY= 614.9 kJ/mol  ( -537.9511751 Hartree)
   Energy+ZPE= 601.1 kJ/mol ZPE=  0.0375856
  CONNECTIONS:
o TS28 (615.6)	o EQ6
o TS29 (801.1)	o EQ8
o TS30 (1107.8)	o EQ10
o UDC8 		o
o UDC9 		o

[ EQ7 ]
  Cs   ENERGY= 661.9 kJ/mol  ( -537.9332774 Hartree)
   Energy+ZPE= 637.3 kJ/mol ZPE=  0.0334782
  CONNECTIONS:
o TS31 (666.6)	o DDC9
o TS32 (667.4)	o DDC10
o TS33 (724.6)	o DDC11

[ EQ8 ]
  C1   ENERGY= 680.0 kJ/mol  ( -537.9263812 Hartree)
   Energy+ZPE= 664.3 kJ/mol ZPE=  0.0368594
  CONNECTIONS:
o TS26 (704.9)	o EQ5
o TS29 (801.1)	o EQ6
o TS34 (683.3)	o EQ8
o TS35 (710.0)	o EQ8
o TS36 (716.0)	o EQ8
o TS37 (815.1)	o EQ9
o UDC10 		o

[ EQ9 ]
  C1   ENERGY= 691.2 kJ/mol  ( -537.9221260 Hartree)
   Energy+ZPE= 675.7 kJ/mol ZPE=  0.0369614
  CONNECTIONS:
o TS27 (700.1)	o EQ5
o TS37 (815.1)	o EQ8
o TS38 (703.2)	o EQ9
o TS39 (1168.3)	o EQ10
o UDC11 		o

[ EQ10 ]
  C1   ENERGY= 1099.9 kJ/mol  ( -537.7664815 Hartree)
   Energy+ZPE= 1068.3 kJ/mol ZPE=  0.0308225
  CONNECTIONS:
o TS30 (1107.8)	o EQ6
o TS39 (1168.3)	o EQ9
o TS40 (1128.3)	o EQ11
o TS41 (1148.8)	o EQ11
o TS42 (1115.0)	o DDC12
o TS43 (1143.8)	o DDC13
o UDC12 		o

[ EQ11 ]
  C1   ENERGY= 1128.3 kJ/mol  ( -537.7556364 Hartree)
   Energy+ZPE= 1093.3 kJ/mol ZPE=  0.0295145
  CONNECTIONS:
o TS40 (1128.3)	o EQ10
o TS41 (1148.8)	o EQ10

[ TS0 ] Animation
  Cs   ENERGY= 349.7 kJ/mol
   Energy+ZPE= 333.6 kJ/mol ZPE=  0.0367321
  CONNECTIONS:
o EQ0 		o EQ0

[ TS1 ] Animation
  C1   ENERGY= 304.7 kJ/mol
   Energy+ZPE= 290.5 kJ/mol ZPE=  0.0374353
  CONNECTIONS:
o EQ0 		o EQ1

[ TS2 ] Animation
  C1   ENERGY= 471.8 kJ/mol
   Energy+ZPE= 456.3 kJ/mol ZPE=  0.0369624
  CONNECTIONS:
o EQ0 		o EQ1

[ TS3 ] Animation
  Cs   ENERGY= 315.7 kJ/mol
   Energy+ZPE= 286.8 kJ/mol ZPE=  0.0318506
  CONNECTIONS:
o EQ0 		o EQ2

[ TS4 ] Animation
  C1   ENERGY= 315.2 kJ/mol
   Energy+ZPE= 301.1 kJ/mol ZPE=  0.0374697
  CONNECTIONS:
o EQ0 		o EQ3

[ TS5 ] Animation
  C1   ENERGY= 340.1 kJ/mol
   Energy+ZPE= 324.9 kJ/mol ZPE=  0.0370563
  CONNECTIONS:
o EQ0 		o EQ4

[ TS6 ] Animation
  C1   ENERGY= 384.9 kJ/mol
   Energy+ZPE= 366.6 kJ/mol ZPE=  0.0358846
  CONNECTIONS:
o EQ0 		o EQ4

[ TS7 ] Animation
  C1   ENERGY= 345.5 kJ/mol
   Energy+ZPE= 338.7 kJ/mol ZPE=  0.0402621
  CONNECTIONS:
o EQ0 		o EQ5

[ TS8 ] Animation
  C1   ENERGY= 399.7 kJ/mol
   Energy+ZPE= 389.8 kJ/mol ZPE=  0.0390758
  CONNECTIONS:
o EQ0 		o EQ5

[ TS9 ] Animation
  Cs   ENERGY= 322.0 kJ/mol
   Energy+ZPE= 297.3 kJ/mol ZPE=  0.0334574
  CONNECTIONS:
o EQ0 		o DDC0

[ TS10 ] Animation
  Cs   ENERGY= 455.1 kJ/mol
   Energy+ZPE= 425.9 kJ/mol ZPE=  0.0317190
  CONNECTIONS:
o EQ0 		o DDC1

[ TS11 ] Animation
  C1   ENERGY= 241.5 kJ/mol
   Energy+ZPE= 233.7 kJ/mol ZPE=  0.0398828
  CONNECTIONS:
o EQ1 		o EQ1

[ TS12 ] Animation
  Cs   ENERGY= 246.0 kJ/mol
   Energy+ZPE= 238.0 kJ/mol ZPE=  0.0397941
  CONNECTIONS:
o EQ1 		o EQ1

[ TS13 ] Animation
  Cs   ENERGY= 471.6 kJ/mol
   Energy+ZPE= 442.1 kJ/mol ZPE=  0.0316000
  CONNECTIONS:
o EQ1 		o DDC2

[ TS14 ] Animation
  Cs   ENERGY= 510.3 kJ/mol
   Energy+ZPE= 483.3 kJ/mol ZPE=  0.0325675
  CONNECTIONS:
o EQ1 		o DDC3

[ TS15 ] Animation
  Cs   ENERGY= 335.2 kJ/mol
   Energy+ZPE= 301.9 kJ/mol ZPE=  0.0301728
  CONNECTIONS:
o EQ2 		o DDC4

[ TS16 ] Animation
  Cs   ENERGY= 315.0 kJ/mol
   Energy+ZPE= 302.2 kJ/mol ZPE=  0.0379671
  CONNECTIONS:
o EQ3 		o EQ3

[ TS17 ] Animation
  C1   ENERGY= 346.8 kJ/mol
   Energy+ZPE= 337.8 kJ/mol ZPE=  0.0394114
  CONNECTIONS:
o EQ3 		o EQ5

[ TS18 ] Animation
  C1   ENERGY= 361.8 kJ/mol
   Energy+ZPE= 344.0 kJ/mol ZPE=  0.0360561
  CONNECTIONS:
o EQ3 		o DDC5

[ TS19 ] Animation
  Cs   ENERGY= 522.7 kJ/mol
   Energy+ZPE= 495.2 kJ/mol ZPE=  0.0323715
  CONNECTIONS:
o EQ3 		o DDC6

[ TS20 ] Animation
  Cs   ENERGY= 332.7 kJ/mol
   Energy+ZPE= 319.0 kJ/mol ZPE=  0.0376169
  CONNECTIONS:
o EQ4 		o EQ4

[ TS21 ] Animation
  C1   ENERGY= 359.4 kJ/mol
   Energy+ZPE= 349.4 kJ/mol ZPE=  0.0390450
  CONNECTIONS:
o EQ4 		o EQ5

[ TS22 ] Animation
  C1   ENERGY= 400.5 kJ/mol
   Energy+ZPE= 381.1 kJ/mol ZPE=  0.0354427
  CONNECTIONS:
o EQ4 		o DDC7

[ TS23 ] Animation
  Cs   ENERGY= 522.7 kJ/mol
   Energy+ZPE= 492.0 kJ/mol ZPE=  0.0311699
  CONNECTIONS:
o EQ4 		o DDC8

[ TS24 ] Animation
  Cs   ENERGY= 609.2 kJ/mol
   Energy+ZPE= 588.8 kJ/mol ZPE=  0.0350660
  CONNECTIONS:
o EQ5 		o EQ5

[ TS25 ] Animation
  C2   ENERGY= 681.3 kJ/mol
   Energy+ZPE= 661.2 kJ/mol ZPE=  0.0351975
  CONNECTIONS:
o EQ5 		o EQ5

[ TS26 ] Animation
  C1   ENERGY= 704.9 kJ/mol
   Energy+ZPE= 687.5 kJ/mol ZPE=  0.0362359
  CONNECTIONS:
o EQ5 		o EQ8

[ TS27 ] Animation
  C1   ENERGY= 700.1 kJ/mol
   Energy+ZPE= 682.6 kJ/mol ZPE=  0.0361791
  CONNECTIONS:
o EQ5 		o EQ9

[ TS28 ] Animation
  C1   ENERGY= 615.6 kJ/mol
   Energy+ZPE= 601.5 kJ/mol ZPE=  0.0374720
  CONNECTIONS:
o EQ6 		o EQ6

[ TS29 ] Animation
  Cs   ENERGY= 801.1 kJ/mol
   Energy+ZPE= 774.3 kJ/mol ZPE=  0.0326357
  CONNECTIONS:
o EQ6 		o EQ8

[ TS30 ] Animation
  C1   ENERGY= 1107.8 kJ/mol
   Energy+ZPE= 1069.4 kJ/mol ZPE=  0.0282117
  CONNECTIONS:
o EQ6 		o EQ10

[ TS31 ] Animation
  Cs   ENERGY= 666.6 kJ/mol
   Energy+ZPE= 637.3 kJ/mol ZPE=  0.0316803
  CONNECTIONS:
o EQ7 		o DDC9

[ TS32 ] Animation
  Cs   ENERGY= 667.4 kJ/mol
   Energy+ZPE= 636.6 kJ/mol ZPE=  0.0311081
  CONNECTIONS:
o EQ7 		o DDC10

[ TS33 ] Animation
  Cs   ENERGY= 724.6 kJ/mol
   Energy+ZPE= 686.4 kJ/mol ZPE=  0.0283062
  CONNECTIONS:
o EQ7 		o DDC11

[ TS34 ] Animation
  Cs   ENERGY= 683.3 kJ/mol
   Energy+ZPE= 666.0 kJ/mol ZPE=  0.0362423
  CONNECTIONS:
o EQ8 		o EQ8

[ TS35 ] Animation
  Cs   ENERGY= 710.0 kJ/mol
   Energy+ZPE= 689.9 kJ/mol ZPE=  0.0351836
  CONNECTIONS:
o EQ8 		o EQ8

[ TS36 ] Animation
  Cs   ENERGY= 716.0 kJ/mol
   Energy+ZPE= 696.5 kJ/mol ZPE=  0.0354303
  CONNECTIONS:
o EQ8 		o EQ8

[ TS37 ] Animation
  C1   ENERGY= 815.1 kJ/mol
   Energy+ZPE= 797.4 kJ/mol ZPE=  0.0360935
  CONNECTIONS:
o EQ8 		o EQ9

[ TS38 ] Animation
  Cs   ENERGY= 703.2 kJ/mol
   Energy+ZPE= 685.7 kJ/mol ZPE=  0.0361968
  CONNECTIONS:
o EQ9 		o EQ9

[ TS39 ] Animation
  C1   ENERGY= 1168.3 kJ/mol
   Energy+ZPE= 1135.7 kJ/mol ZPE=  0.0304279
  CONNECTIONS:
o EQ9 		o EQ10

[ TS40 ] Animation
  C1   ENERGY= 1128.3 kJ/mol
   Energy+ZPE= 1092.8 kJ/mol ZPE=  0.0293380
  CONNECTIONS:
o EQ10 		o EQ11

[ TS41 ] Animation
  Cs   ENERGY= 1148.8 kJ/mol
   Energy+ZPE= 1119.6 kJ/mol ZPE=  0.0317241
  CONNECTIONS:
o EQ10 		o EQ11

[ TS42 ] Animation
  C1   ENERGY= 1115.0 kJ/mol
   Energy+ZPE= 1079.7 kJ/mol ZPE=  0.0294185
  CONNECTIONS:
o EQ10 		o DDC12

[ TS43 ] Animation
  C1   ENERGY= 1143.8 kJ/mol
   Energy+ZPE= 1102.0 kJ/mol ZPE=  0.0269409
  CONNECTIONS:
o EQ10 		o DDC13

[ TS44 ] Animation
  Cs   ENERGY= 374.0 kJ/mol
   Energy+ZPE= 347.7 kJ/mol ZPE=  0.0328184
  CONNECTIONS:
o DDC15 		o DDC14

[ TS45 ] Animation
  Cs   ENERGY= 609.0 kJ/mol
   Energy+ZPE= 574.6 kJ/mol ZPE=  0.0297286
  CONNECTIONS:
o DDC17 		o DDC16

[ DDC0 ]
  Cs   ENERGY= 158.9 kJ/mol
  FRAGMENTS:
  H3C2  Cl
  CONNECTIONS:
o TS9 		o EQ0

[ DDC1 ]
  Cs   ENERGY= 440.2 kJ/mol
  FRAGMENTS:
  HC2Cl  H  H
  CONNECTIONS:
o TS10 		o EQ0

[ DDC2 ]
  Cs   ENERGY= 273.1 kJ/mol
  FRAGMENTS:
  HC2Cl  H  H
  CONNECTIONS:
o TS13 		o EQ1

[ DDC3 ]
  Cs   ENERGY= 317.7 kJ/mol
  FRAGMENTS:
  HC2Cl  H  H
  CONNECTIONS:
o TS14 		o EQ1

[ DDC4 ]
  Cs   ENERGY= 173.6 kJ/mol
  FRAGMENTS:
  H2C2  HCl
  CONNECTIONS:
o TS15 		o EQ2

[ DDC5 ]
  C1   ENERGY= 179.9 kJ/mol
  FRAGMENTS:
  H2C2  HCl
  CONNECTIONS:
o TS18 		o EQ3

[ DDC6 ]
  Cs   ENERGY= 277.0 kJ/mol
  FRAGMENTS:
  HC2Cl  H  H
  CONNECTIONS:
o TS19 		o EQ3

[ DDC7 ]
  C1   ENERGY= 193.3 kJ/mol
  FRAGMENTS:
  H3C2  Cl
  CONNECTIONS:
o TS22 		o EQ4

[ DDC8 ]
  Cs   ENERGY= 265.8 kJ/mol
  FRAGMENTS:
  HC2Cl  H  H
  CONNECTIONS:
o TS23 		o EQ4

[ DDC9 ]
  C1   ENERGY= 182.5 kJ/mol
  FRAGMENTS:
  H2C2  HCl
  CONNECTIONS:
o TS31 		o EQ7

[ DDC10 ]
  Cs   ENERGY= 189.2 kJ/mol
  FRAGMENTS:
  H2C2  HCl
  CONNECTIONS:
o TS32 		o EQ7

[ DDC11 ]
  Cs   ENERGY= 269.4 kJ/mol
  FRAGMENTS:
  HC2Cl  H  H
  CONNECTIONS:
o TS33 		o EQ7

[ DDC12 ]
  C1   ENERGY= 511.7 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o TS42 		o EQ10

[ DDC13 ]
  C1   ENERGY= 512.9 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o TS43 		o EQ10

[ DDC14 ]
  Cs   ENERGY= 192.7 kJ/mol
  FRAGMENTS:
  H2C2  HCl
  CONNECTIONS:
o TS44 		o DDC15

[ DDC15 ]
  Cs   ENERGY= 192.6 kJ/mol
  FRAGMENTS:
  H2C2  HCl
  CONNECTIONS:
o TS44 		o DDC14

[ DDC16 ]
  Cs   ENERGY= 208.7 kJ/mol
  FRAGMENTS:
  H3C2Cl
  CONNECTIONS:
o TS45 		o DDC17

[ DDC17 ]
  Cs   ENERGY= 286.6 kJ/mol
  FRAGMENTS:
  HC2Cl  H  H
  CONNECTIONS:
o TS45 		o DDC16

[ UDC0 ]
  Cs   ENERGY= 525.5 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o EQ0 		o

[ UDC1 ]
  Cs   ENERGY= 537.4 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o EQ0 		o

[ UDC2 ]
  Cs   ENERGY= 545.4 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o EQ0 		o

[ UDC3 ]
  Cs   ENERGY= 322.7 kJ/mol
  FRAGMENTS:
  H2C2  HCl
  CONNECTIONS:
o EQ2 		o

[ UDC4 ]
  Cs   ENERGY= 334.1 kJ/mol
  FRAGMENTS:
  H2C2  HCl
  CONNECTIONS:
o EQ2 		o

[ UDC5 ]
  C1   ENERGY= 767.4 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o EQ3 		o

[ UDC6 ]
  C1   ENERGY= 759.4 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o EQ4 		o

[ UDC7 ]
  C1   ENERGY= 761.5 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o EQ5 		o

[ UDC8 ]
  C1   ENERGY= 773.9 kJ/mol
  FRAGMENTS:
  C  H3CCl
  CONNECTIONS:
o EQ6 		o

[ UDC9 ]
  C1   ENERGY= 1121.4 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o EQ6 		o

[ UDC10 ]
  C1   ENERGY= 1116.2 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o EQ8 		o

[ UDC11 ]
  C1   ENERGY= 1157.7 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o EQ9 		o

[ UDC12 ]
  C1   ENERGY= 1540.1 kJ/mol
  FRAGMENTS:
  H2C2Cl  H
  CONNECTIONS:
o EQ10 		o

to the top of this page