File: ofcl.mop

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mopac 23.1.2-1
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file content (10 lines) | stat: -rw-r--r-- 273 bytes parent folder | download | duplicates (3)
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*     8.551
*
 PM7
OFCl
 H=12.9 HR=WHSMC03
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     1.51395817 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.64093390 +1  101.0021183 +1    0.0000000 +0     2     1     0