File: ch3scl.mop

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mopac 22.0.6%2Bdfsg-1
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file content (13 lines) | stat: -rw-r--r-- 493 bytes parent folder | download | duplicates (3) 
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*
*    -7.455
*
 PM7
CH3SCl
 H=-10.1 HR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.80249573 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.04064641 +1  100.7062356 +1    0.0000000 +0     2     1     0
  H     1.09877710 +1  112.7306617 +1  -61.9957706 +1     1     2     3
  H     1.09884347 +1  112.7264655 +1  122.1619921 +1     1     2     4
  H     1.10048451 +1  108.7183867 +1  118.9022807 +1     1     2     5