File: nabo2.mop

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mopac 22.0.6%2Bdfsg-1
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file content (12 lines) | stat: -rw-r--r-- 441 bytes parent folder | download | duplicates (2) 
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*
*  -141.824
*
 PM7
NaBO2
 H=-153.4 HR=PFHD1982 I=9.2 IR=RDSH1977
 Na     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.03756296 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     2     1     0
  B     1.27025197 +1   91.0759789 +1  180.0000000 +0     2     3     1
  O     1.20588372 +1  179.9513613 +1  179.8970716 +1     4     2     3