File: obbor.mop

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mopac 23.1.2-1
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file content (11 lines) | stat: -rw-r--r-- 364 bytes parent folder | download | duplicates (2) 
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*  -107.169
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 PM7
O-B-B-O
 GR=JANAF86 <B-O> <B-B> GWT=0.333
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.20000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  B     1.70000000 +1  179.9931916 +1  180.0000000 +0     2     1     0
  O     1.18493458 +1  179.9943642 +1   42.2636241 +1     3     2     1