File: pyrazine.mop

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mopac 22.0.6%2Bdfsg-1
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file content (17 lines) | stat: -rw-r--r-- 795 bytes parent folder | download | duplicates (3)
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*
*    44.345
*
 GEO-OK PM7
Pyrazine
 H=46.9 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41018548 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.34480654 +1  120.9819909 +1    0.0000000 +0     2     1     0
  C     1.34481401 +1  118.0069882 +1   -0.0091533 +1     3     2     1
  C     1.41031540 +1  120.9920914 +1    0.0031635 +1     4     3     2
  N     1.34487702 +1  121.0142592 +1   -0.0022064 +1     5     4     3
  H     1.09434160 +1  122.3554851 +1  179.9972961 +1     5     4     3
  H     1.09430685 +1  116.6245479 +1 -179.9946680 +1     4     3     2
  H     1.09422407 +1  116.6490102 +1 -179.9988691 +1     1     6     5
  H     1.09428233 +1  122.3137891 +1 -179.9979360 +1     2     1     6