File: azide.mop

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mopac 23.1.2-1
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file content (10 lines) | stat: -rw-r--r-- 306 bytes parent folder | download | duplicates (3) 
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*   106.945
*
 UHF FIELD=(0.01,0.02,0.03) PULAY PM7
Azide
 H=99 HR=CCHP1974
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.17972111 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.18012561 +1  179.8406544 +1    0.0000000 +0     2     1     0