Accuracy

sf5ncor   2215 Pentafluoro(isocyanato)sulfur (Geo)

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    #  Species Formula
  2205 Sulfur trifluorideF3S
  2206 SOF3OF3S
  2207 S-Ethyl trifluorothioacetic acidC4H5OF3S
  2208 Sulfur tetrafluoride (Geo)F4S
  2209 Sulfur tetrafluorideF4S
  2210 Sulfur oxide tetrafluorideOF4S
  2211 Sulfur oxide tetrafluoride (Geo)OF4S
  2212 Sulfur pentafluorideF5S
  2213 Sulfur pentafluoride, anionF5S
  2214 SF5OHHOF5S
  2215 Pentafluoro(isocyanato)sulfur (Geo) CNOF5S
  2216 Sulfur hexafluoride (Geo)F6S
  2217 Sulfur hexafluorideF6S
  2218 Sodium sulfate, anionO4NaS
  2219 NaHSO4.(H2O)2 (Geo)H5O6NaS
  2220 Sodium sulfateO4Na2S
  2221 Magnesium sulfideMgS
  2222 Magnesium sulfide (Geo)MgS
  2223 Magnesium hydride hydrosulfideH2MgS
  2224 Magnesium hydrosulfide hydroxideH2OMgS
  2225 Aluminum sulfideAlS


REF: J. H. Callomon, E. Hirota, T. Iijima, K. Kuchitsu, W. J. Lafferty, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 15, Springer, Berlin (1977).
  
 PM7
Pentafluoro(isocyanato)sulfur
 <S-F> <> <> <N=C> <S-N=C> <> <C=O> <N=C=O> GR=CHIK1986
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.56700000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.78173106 +1   91.6988998 +1    0.0000000 +0     2     1     0
  C     1.23400000 +1  124.9000000 +1  123.6759776 +1     3     2     1
  O     1.17900000 +1  173.8000000 +1 -109.8307795 +1     4     3     1
  F     1.56800893 +1   91.3428700 +1 -178.5705591 +1     2     3     1
  F     1.56120321 +1   88.3193111 +1 -179.4312406 +1     2     6     3
  F     1.57134933 +1   91.2485727 +1   88.8048137 +1     2     3     6
  F     1.55205266 +1   91.7896534 +1  -90.4854283 +1     2     3     6