File: dinitromethane.mop

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mopac 23.1.2-1
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file content (16 lines) | stat: -rw-r--r-- 738 bytes parent folder | download | duplicates (3) 
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*
*    -8.217
*
 PM7
Dinitromethane
 H=-13.3 HR=IP1973 S=85.59 CP=20.65
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.50411848 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.50307634 +1  110.9194863 +1    0.0000000 +0     1     2     0
  H     1.12121396 +1  108.8930410 +1 -121.1722229 +1     1     2     3
  H     1.12142468 +1  109.9566388 +1  120.4889343 +1     1     2     3
  O     1.21239343 +1  116.0719770 +1 -134.1437708 +1     2     1     3
  O     1.21010692 +1  117.2378864 +1   47.8290356 +1     2     1     3
  O     1.21026184 +1  117.2907388 +1   47.0360887 +1     3     1     2
  O     1.21266855 +1  116.0815750 +1 -134.9939556 +1     3     1     2