File: fes.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 (9 lines) | stat: -rw-r--r-- 183 bytes parent folder | download | duplicates (2) 
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*
*    83.074
*
 QUINTET UHF SHIFT=5 PM7
FeS
 HR=JANAF86 H=88.6
 Fe     0.00000000 +0   0.00000000 +0   0.00000000 +0
  S     2.17915281 +1   0.00000000 +0   0.00000000 +0