File: ch2cor.mop

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mopac 23.1.2-1
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file content (15 lines) | stat: -rw-r--r-- 480 bytes parent folder | download | duplicates (3) 
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*
*    -7.654
*
 SYMMETRY PM7
Ketene
 GR=CTS1959 <C-O> <C-C> <C-H> <H-C-C>
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.16100000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.31400000 +1  180.0000000 +0    0.0000000 +0     2     1     0
  H     1.08300000 +1  118.7000000 +1   90.0000000 +0     3     2     1
  H     1.08300000 +0  118.7000000 +0  180.0000000 +0     3     2     4
 
   4  1    5
   4  2    5