File: libo2.mop

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mopac 23.1.2-1
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file content (12 lines) | stat: -rw-r--r-- 423 bytes parent folder | download | duplicates (2) 
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*  -156.735
*
 PM7
LiBO2
 H=-158.3 HR=WEPS1982
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     4.05252712 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     2     1     0
  B     1.20435437 +1    0.1538751 +1  180.0000000 +0     2     1     3
  O     1.27597772 +1  140.3738159 +1    0.0000447 +1     4     3     1