File: sof4.mop

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mopac 23.1.2-1
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file content (13 lines) | stat: -rw-r--r-- 528 bytes parent folder | download | duplicates (3)
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*
*  -227.835
*
 GNORM=0.02 PM7
Sulfur oxide tetrafluoride
 H=-207.0 HR=WSHC2003
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.41464359 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.57004352 +1  102.2284644 +1    0.0000000 +0     1     2     0
  F     1.54810928 +1  118.0226881 +1   89.9977858 +1     1     2     3
  F     1.57005019 +1  102.2195823 +1   89.9981123 +1     1     2     4
  F     1.54814249 +1  118.0563905 +1   90.0004503 +1     1     2     5