File: ch2sr.mop

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mopac 23.1.2-1
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file content (14 lines) | stat: -rw-r--r-- 411 bytes parent folder | download | duplicates (3) 
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*   -42.796
*
 SYMMETRY PM7
Thioformaldehyde
 GR=JLK1972 <C-S> <C-H> <H-C-S>
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.61080000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09290000 +1  121.5650000 +1    0.0000000 +0     2     1     0
  H     1.09290000 +0  121.5650000 +0  180.0000000 +0     2     1     3
 
   3  1    4
   3  2    4