File: fcnr.mop

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mopac 23.1.2-1
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file content (10 lines) | stat: -rw-r--r-- 290 bytes parent folder | download | duplicates (3)
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*
*   -70.362
*
 PM7
Cyanogen fluoride
 GR=TS1963 <C-N> <C-F>
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.15900000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.26200000 +1  180.0000000 +0    0.0000000 +0     2     1     0