PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ch3so3fr   2197 Methyl fluorosulfate (Geo)

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    #  Species Formula
  2187 Di-n-butyl sulfateC8H18O4S
  2188 Li(I)O4N (BARVOF) (Geo)H16LiC9NO4S
  2189 Li(I)O4N (BARVOF)H16LiC9NO4S
  2190 Li(I)O4N (BARVIZ) (Geo)H24LiC13NO4S
  2191 Li(I)O4N (BARVIZ)H24LiC13NO4S
  2192 LiHSO4.2H2O (corrected for PW91D error in H2SO4)H5LiO6S
  2193 LiHSO4.2H2O (Geo)H5LiO6S
  2194 Sulfur fluorideFS
  2195 SO2FO2FS
  2196 Fluorosulfonic acid (HOSO2F)HO3FS
  2197 Methyl fluorosulfate (Geo) CH3O3FS
  2198 Sulfur difluoride (Geo)F2S
  2199 Sulfur difluorideF2S
  2200 Thiocarbonyl difluoride (Geo)CF2S
  2201 Thiocarbonyl difluorideCF2S
  2202 Thionyl fluoride (Geo)OF2S
  2203 Thionyl fluorideOF2S
  2204 Sulfuryl fluoride (Geo)O2F2S
  2205 Sulfuryl fluorideO2F2S
  2206 Sulfur trifluorideF3S
  2207 SOF3OF3S


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).
  
 SYMMETRY PM7
Methyl fluorosulfate
 <S=O> <O=S=O> <S-F> <F-S=O> <> <> <O-S=O> <> <C-O> <C-O-S> GR=CHIK1986
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.41000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.41000000 +0  124.4000000 +1    0.0000000 +0     2     1     0
  F     1.54500000 +1  106.8000000 +1  125.4936512 +1     2     1     3
  O     1.65058440 +1  109.5000000 +1 -130.8631361 +1     2     1     3
  C     1.42000000 +1  116.5000000 +1  101.1045852 +1     5     2     4
  H     1.09652647 +1  111.9516045 +1  -53.9640265 +1     6     5     2
  H     1.09775797 +1  110.1049190 +1   70.3993842 +1     6     5     2
  H     1.10105647 +1  102.7394634 +1 -172.1220876 +1     6     5     2