Accuracy

sulfuric acid   2178 Sulfuric acid

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  2168 H2SO3H2O3S
  2169 Dimethyl sulfiteC2H6O3S
  2170 Dimethyl sulfite (Geo)C2H6O3S
  2171 (CH3O)(C2H5O)SOC3H8O3S
  2172 Diethyl sulfiteC4H10O3S
  2173 Dipropyl sulfiteC6H14O3S
  2174 Di-n-butyl sulfiteC8H18O3S
  2175 Li(I)O3N (FOBHEJ) (Geo)H18LiC10NO3S
  2176 Li(I)O3N (FOBHEJ)H18LiC10NO3S
  2177 Sulfuric acid (Geo)H2O4S
  2178 Sulfuric acid H2O4S
  2179 Lithium sulfate anionLiO4S
  2180 Lithium sulfateLi2O4S
  2181 Dimethyl sulfateC2H6O4S
  2182 Dimethyl sulfate (Geo)C2H6O4S
  2183 (CH3O)3SOC3H9O4S
  2184 Diethyl sulfateC4H10O4S
  2185 Dipropyl sulfateC6H14O4S
  2186 Di-n-butyl sulfateC8H18O4S
  2187 Li(I)O4N (BARVOF) (Geo)H16LiC9NO4S
  2188 Li(I)O4N (BARVOF)H16LiC9NO4S


ΔHf: -175.7 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
  
 PULAY PM7
Sulfuric acid
 H=-175.7 HR=JANAF86
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.64122677 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.64192194 +1   98.6459357 +1    0.0000000 +0     1     2     0
  O     1.42915983 +1  106.6203092 +1 -112.9562166 +1     1     2     3
  O     1.42938576 +1  109.0083793 +1  110.7836813 +1     1     2     3
  H     0.97159072 +1  116.4689616 +1   94.0828798 +1     2     1     3
  H     0.97166629 +1  116.4039271 +1   93.9685401 +1     3     1     2