File: hydroxyborane.mop

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mopac 23.1.2-1
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file content (12 lines) | stat: -rw-r--r-- 429 bytes parent folder | download | duplicates (2)
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*
*   -63.167
*
 PM7
Hydroxyborane
 H=-69.4 HR=GPH1969
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.38119732 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.17416957 +1  125.7473488 +1    0.0000000 +0     2     1     0
  H     1.17525106 +1  117.5848429 +1 -179.9999967 +1     2     1     3
  H     0.95474835 +1  120.9551270 +1   -0.0000054 +1     1     2     3