File: sc2f4.mop

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mopac 22.0.6%2Bdfsg-1
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file content (13 lines) | stat: -rw-r--r-- 506 bytes parent folder | download | duplicates (2)
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*
*  -332.735
*
 SHIFT=80 UHF PM7
Sc2F4
 H=-373.6 HR=PW91D
 Sc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Sc     8.82189212 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     2.03753643 +1   90.7284779 +1    0.0000000 +0     1     2     0
  F     2.03751156 +1   88.6122522 +1 -179.4655306 +1     1     2     3
  F     2.03748556 +1   88.4466729 +1  172.0399571 +1     2     1     3
  F     2.03753447 +1   90.0442870 +1  179.6852576 +1     2     1     5