File: brnor.mop

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mopac 22.0.6%2Bdfsg-1
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file content (10 lines) | stat: -rw-r--r-- 289 bytes parent folder | download | duplicates (3) 
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*  -171.104
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 PM7
BrNO
 GR=CHKL1976 <Br-N> <N-O> <Br-N-O>
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.14000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.14600000 +1  114.5000000 +1    0.0000000 +0     2     1     0