File: nitrogen.mop

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file content (9 lines) | stat: -rw-r--r-- 237 bytes parent folder | download | duplicates (3)
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*
*    32.990
*
 PM7
Nitrogen
 HR=ELEMENT I=15.6 IR=LLNBS82 H=0.0 IWT=0.5 HWT=0.5
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.11942874 +1    0.0000000 +0    0.0000000 +0     1     0     0