Accuracy

h2so4r   1575 Sulfuric acid (Geo)

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    #  Species Formula
  1565 Sulfur trioxide (Geo)O3S
  1566 Sulfur trioxideO3S
  1567 HOSO2(-)HO3S
  1568 H2SO3H2O3S
  1569 Dimethyl sulfiteC2H6O3S
  1570 Dimethyl sulfite (Geo)C2H6O3S
  1571 (CH3O)(C2H5O)SOC3H8O3S
  1572 Diethyl sulfiteC4H10O3S
  1573 Dipropyl sulfiteC6H14O3S
  1574 Di-n-butyl sulfiteC8H18O3S
  1575 Sulfuric acid (Geo) H2O4S
  1576 Sulfuric acidH2O4S
  1577 Dimethyl sulfateC2H6O4S
  1578 Dimethyl sulfate (Geo)C2H6O4S
  1579 (CH3O)3SOC3H9O4S
  1580 Diethyl sulfateC4H10O4S
  1581 Dipropyl sulfateC6H14O4S
  1582 Di-n-butyl sulfateC8H18O4S
  1583 Sulfur fluorideFS
  1584 SO2FO2FS
  1585 Fluorosulfonic acid (HOSO2F)HO3FS


REF: 6-31G(d) basis set using the B3LYP Density Functional
  

Sulfuric acid
 GR=B3LYP <S-O> <S=O> <> <O-H> <S-O-H>
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.62800000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.44700000 +1  106.3407428 +1    0.0000000 +0     1     2     0
  H     0.97000000 +1  107.9000000 +1  -16.6290253 +1     2     1     3
  O     1.64081334 +1   98.6127011 +1  112.8537073 +1     1     2     3
  H     0.97132230 +1  116.6959716 +1   88.9405038 +1     5     1     2
  O     1.42895703 +1  109.0142880 +1 -136.1631361 +1     1     2     3