File: f2bo.mop

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mopac 22.0.6%2Bdfsg-1
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  • size: 102,028 kB
  • sloc: f90: 161,334; python: 192; sh: 173; makefile: 5
file content (11 lines) | stat: -rw-r--r-- 344 bytes parent folder | download | duplicates (2) 
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*  -199.193
*
 PM7
F2BO
 H=-200 HR=JANAF
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.31581302 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.38397180 +1  119.7067174 +1    0.0000000 +0     1     2     0
  F     1.31466660 +1  119.8548654 +1  179.9949565 +1     1     2     3