File: so2clf.mop

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mopac 22.0.6%2Bdfsg-1
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file content (12 lines) | stat: -rw-r--r-- 422 bytes parent folder | download | duplicates (3)
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*  -132.643
*
 PM7
SO2ClF
 I=12.61 IR=LLNBS82
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.03511319 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.53314307 +1   97.5948088 +1    0.0000000 +0     1     2     0
  O     1.41730799 +1  108.2221893 +1  111.3443199 +1     1     2     3
  O     1.41732875 +1  108.2574838 +1 -111.3791282 +1     1     2     3