File: methanol.mop

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file content (13 lines) | stat: -rw-r--r-- 534 bytes parent folder | download | duplicates (3) 
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*
*   -48.938
*
 PM7
Methanol
 D=1.70 I=10.96 IR=LLNBS82 HR=C&P1970 H=-48.1 DR=NLM1967
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41404774 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09826783 +1  103.7012189 +1    0.0000000 +0     2     1     0
  H     1.09460918 +1  110.4444371 +1  118.2350613 +1     2     1     3
  H     1.09461281 +1  110.4338562 +1 -118.2105448 +1     2     1     3
  H     0.97797663 +1  110.0472084 +1 -179.9953836 +1     1     2     3