Explored: EQ3 TS4

[ EQ0 ]
  C2v  ENERGY= 0.0 kJ/mol  (  -76.4197373 Hartree)
   Energy+ZPE= 0.0 kJ/mol ZPE=  0.0213637
  CONNECTIONS:
o TS0  (138.9)	o EQ0
o TS1  (499.9)	o EQ1

[ EQ1 ]
  C20v ENERGY= 499.9 kJ/mol  (  -76.2293533 Hartree)
   Energy+ZPE= 467.0 kJ/mol ZPE=  0.0088359
  CONNECTIONS:
o TS1  (499.9)	o EQ0
o TS2  (553.1)	o EQ2
o UDC0 		o

[ EQ2 ]
  Cooh ENERGY= 541.4 kJ/mol  (  -76.2135122 Hartree)
   Energy+ZPE= 514.6 kJ/mol ZPE=  0.0111685
  CONNECTIONS:
o TS2  (553.1)	o EQ1
o TS3  (543.5)	o EQ2
o UDC1 		o

[ TS0 ] Animation
  Dooh ENERGY= 138.9 kJ/mol
   Energy+ZPE= 134.7 kJ/mol ZPE=  0.0197499
  CONNECTIONS:
o EQ0 		o EQ0

[ TS1 ] Animation
  Cs   ENERGY= 499.9 kJ/mol
   Energy+ZPE= 466.8 kJ/mol ZPE=  0.0087507
  CONNECTIONS:
o EQ0 		o EQ1

[ TS2 ] Animation
  Dooh ENERGY= 553.1 kJ/mol
   Energy+ZPE= 519.3 kJ/mol ZPE=  0.0084762
  CONNECTIONS:
o EQ1 		o EQ2

[ TS3 ] Animation
  C2v  ENERGY= 543.5 kJ/mol
   Energy+ZPE= 514.7 kJ/mol ZPE=  0.0104078
  CONNECTIONS:
o EQ2 		o EQ2

[ UDC0 ]
  Cs   ENERGY= 501.4 kJ/mol
  FRAGMENTS:
  HO  H
  CONNECTIONS:
o EQ1 		o

[ UDC1 ]
  Dooh ENERGY= 544.8 kJ/mol
  FRAGMENTS:
  O  H2
  CONNECTIONS:
o EQ2 		o

to the top of this page