File: b2o3.mop

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mopac 22.0.6%2Bdfsg-1
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file content (13 lines) | stat: -rw-r--r-- 495 bytes parent folder | download | duplicates (2) 
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*
*  -218.088
*
 PM7
B2O3
 H=-201.5 HR=HLKS1979
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.18355573 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     2     1     0
  O     1.31994588 +1  179.4176050 +1    0.0000000 +0     2     1     3
  B     1.31993913 +1  174.0199093 +1  179.8323673 +1     4     2     3
  O     1.18355258 +1  179.4297067 +1    0.2255597 +1     5     4     3