File: f2or.mop

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mopac 23.1.2-1
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid, trixie
  • size: 115,604 kB
  • sloc: f90: 165,274; python: 202; sh: 181; ansic: 85; makefile: 8
file content (12 lines) | stat: -rw-r--r-- 305 bytes parent folder | download | duplicates (3) 
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*  -258.586
*
 SYMMETRY PM7
F2O
 GR=JANAF86 <O-F> <F-O-F>
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.41200000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.41200000 +0  103.1666000 +1    0.0000000 +0     2     1     0
 
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