File: fluorodinitromethane.mop

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file content (16 lines) | stat: -rw-r--r-- 725 bytes parent folder | download | duplicates (3) 
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*
*   -45.833
*
 PM7
Fluorodinitromethane
 H=-56.1 HR=NIST
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33697231 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.52970984 +1  106.2084592 +1    0.0000000 +0     2     1     0
  N     1.52635510 +1  107.4327693 +1 -117.8055909 +1     2     1     3
  O     1.20683253 +1  116.6731119 +1  -10.3026542 +1     4     2     1
  O     1.21200081 +1  115.6883894 +1  171.6378987 +1     4     2     1
  O     1.21045842 +1  115.4361183 +1  126.0817245 +1     3     2     1
  O     1.20696930 +1  116.6416397 +1  -52.4032011 +1     3     2     1
  H     1.13311653 +1  112.4353652 +1  121.0230098 +1     2     1     3