File: formaldehyde.mop

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file content (14 lines) | stat: -rw-r--r-- 448 bytes parent folder | download | duplicates (3) 
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*
*   -25.542
*
 SYMMETRY PM7
Formaldehyde
 DR=NLM1967 D=2.33 I=10.1 IR=LLNBS82 HR=C&P1970 H=-25.95 CP=8.46 S=52.29
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.20614535 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09115835 +1  121.2760770 +1    0.0000000 +0     2     1     0
  H     1.09115835 +0  121.2760770 +0  180.0000000 +0     2     1     3
 
   3  1    4
   3  2    4