File: acetamide.mop

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mopac 23.1.2-1
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file content (16 lines) | stat: -rw-r--r-- 716 bytes parent folder | download | duplicates (3) 
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*
*   -56.555
*
 PM7
Acetamide
 H=-56.962 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50099702 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.21232064 +1  124.2981027 +1    0.0000000 +0     2     1     0
  N     1.38647244 +1  119.2551115 +1 -179.9883052 +1     2     3     1
  H     0.99224612 +1  123.2553560 +1  179.9818121 +1     4     2     3
  H     1.00027440 +1  119.7486612 +1   -0.0011000 +1     4     2     3
  H     1.10361222 +1  109.9057940 +1    0.2754641 +1     1     2     3
  H     1.09743686 +1  112.1472749 +1  119.2909721 +1     1     2     3
  H     1.09750794 +1  112.1177490 +1 -118.7149125 +1     1     2     3