File: borane.mop

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mopac 23.1.2-1
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file content (16 lines) | stat: -rw-r--r-- 550 bytes parent folder | download | duplicates (2) 
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*
*    23.541
*
 SYMMETRY PM7
Borane
 H=23.9 HR=HLKS1979
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.16826369 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0  120.0000000 +0    0.0000000 +0     2     1     0
  H     1.16826369 +0   90.0000000 +1  180.0000000 +0     1     2     3
  H     1.16826369 +0   90.0000000 +0   60.0000000 +0     1     2     3
  H     1.16826369 +0   90.0000000 +0  -60.0000000 +0     1     2     3
 
   2  1    4    5    6
   4  2    5    6