File: bhf2.mop

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mopac 22.0.6%2Bdfsg-1
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file content (11 lines) | stat: -rw-r--r-- 361 bytes parent folder | download | duplicates (2) 
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*  -171.224
*
 PM7
BHF2
 H=-176.0 HR=PW91D D=0.9 DR=PW91D
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.32059040 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.32140175 +1  112.6578137 +1    0.0000000 +0     1     2     0
  H     1.19241875 +1  123.8166836 +1  180.0000000 +1     1     2     3