File: thioformaldehyde.mop

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mopac 22.0.6%2Bdfsg-1
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file content (11 lines) | stat: -rw-r--r-- 393 bytes parent folder | download | duplicates (3) 
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*    33.912
*
 PM7
Thioformaldehyde
 D=1.65 I=9.34 IR=SRB1976 DR=MCC1963 H=24.3 HR=GZ1989
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.57334303 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.08744423 +1  124.3190586 +1    0.0000000 +0     2     1     0
  H     1.08743821 +1  124.3039203 +1  179.9996866 +1     2     1     3