File: opf2.mop

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mopac 23.1.2-1
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file content (11 lines) | stat: -rw-r--r-- 348 bytes parent folder | download | duplicates (3)
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*
*  -183.110
*
 PM7
OPF2
 H=-171.1 HR=WHSMC03
  P     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.47680504 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.55238833 +1  114.9299867 +1    0.0000000 +0     1     2     0
  F     1.55237369 +1  114.9074815 +1  112.7618301 +1     1     2     3