File: ch3ir.mop

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mopac 22.0.6%2Bdfsg-1
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file content (14 lines) | stat: -rw-r--r-- 482 bytes parent folder | download | duplicates (3) 
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*
*     3.693
*
 SYMMETRY PM7
Iodomethane
 GR=CHKL1976 < > <C-H> < > <C-I> < > < > <H-C-H>
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.78401179 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.08400000 +1   35.1382250 +1    0.0000000 +0     2     1     0
  I     2.13200000 +1  108.9800442 +1 -119.2455197 +1     3     2     1
  H     1.08400000 +0  111.2000000 +1  121.2792556 +1     3     2     1
 
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