PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ch3ohr    734 Methanol (Geo)

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    #  Species Formula
   724 Carbon monoxideCO
   725 Carbon monoxide (Geo)CO
   726 HCO, cationHCO
   727 HCOHCO
   728 Formaldehyde (Geo)CH2O
   729 FormaldehydeCH2O
   730 CH2OH, cationCH3O
   731 CH2OH, radicalCH3O
   732 Methoxy, radicalCH3O
   733 Methoxy, anionCH3O
   734 Methanol (Geo) CH4O
   735 MethanolCH4O
   736 Lithium methoxide (Geo)H3LiCO
   737 Lithium methoxideH3LiCO
   738 BH3COH3BCO
   739 BH3CO (Geo)H3BCO
   740 Ketene (Geo)C2H2O
   741 KeteneC2H2O
   742 AcetaldehydeC2H4O
   743 Acetaldehyde (Geo)C2H4O
   744 Ethylene oxideC2H4O


REF: R. M. Lees, J. G. Baker, J. Chem. Phys., 48, 5299 (1968).
  
 PM7
Methanol
 GR=LB1968 <C-O> <C-H> <H-C-O> <O-H> <C-O-H>
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.42500000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09400000 +1  108.5000000 +1    0.0000000 +0     2     1     0
 XX     1.00000000 +0  127.9000000 +0 -176.4181420 +0     2     1     3
  H     0.94500000 +1  107.0000000 +1   63.6277872 +1     1     2     3
  H     1.09782528 +1   62.2458324 +1   86.0898836 +1     2     4     1
  H     1.09435111 +1   48.6289950 +1  -84.8364813 +1     2     4     1