File: ch3-nh..mop

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mopac 23.1.2-1
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  • size: 115,604 kB
  • sloc: f90: 165,274; python: 202; sh: 181; ansic: 85; makefile: 8
file content (13 lines) | stat: -rw-r--r-- 504 bytes parent folder | download | duplicates (3) 
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*    35.171
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 OPEN(1,1) PM7
CH3-NH.
 H=37 HR=FDRH1969
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.43133412 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.10045209 +1  117.0483596 +1    0.0000000 +0     2     1     0
  H     1.10955653 +1  108.3212121 +1  122.5801131 +1     2     3     1
  H     1.10955654 +1  108.3211888 +1 -122.5801086 +1     2     3     1
  H     1.00041686 +1  114.1323375 +1    0.0005825 +1     1     2     3