File: pyridine.mop

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mopac 22.0.6%2Bdfsg-1
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file content (18 lines) | stat: -rw-r--r-- 905 bytes parent folder | download | duplicates (3)
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*
*    31.738
*
 GEO-OK PM7
Pyridine
 DR=SMRA1974 I=9.67 IR=LLNBS82 D=2.22 H=34.6 HR=C&P1970
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.34627489 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40127622 +1  122.5804798 +1    0.0000000 +0     2     1     0
  C     1.39362607 +1  118.5214304 +1    0.0000000 +0     3     2     1
  C     1.39341350 +1  119.2786191 +1    0.0000000 +0     4     3     2
  C     1.40127312 +1  118.4726108 +1    0.0000000 +0     5     4     3
  H     1.08942654 +1  120.3380441 +1  180.0000000 +0     4     3     2
  H     1.08553771 +1  121.0028768 +1 -180.0000000 +0     5     4     3
  H     1.09609906 +1  121.6127867 +1 -180.0000000 +0     6     5     4
  H     1.08559514 +1  120.5153177 +1  180.0000000 +0     3     2     1
  H     1.09602183 +1  115.7003573 +1 -180.0000000 +0     2     1     6