File: vor.mop

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mopac 23.1.2-1
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file content (9 lines) | stat: -rw-r--r-- 231 bytes parent folder | download | duplicates (2)
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*
*   -62.002
*
 SHIFT=20 PULAY UHF PM7
Vanadium(II) oxide
 <V-O> GR=HH1979
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.58900000 +1    0.0000000 +0    0.0000000 +0     1     0     0