12
SO3 + H2O + FA (PBE/TZVP A1 min.)
 S                     0.00692555    -1.14927189    -0.61248547
 O                     1.44228123    -0.87984915    -0.78246992
 O                    -0.93618450    -0.05362365    -0.97329109
 O                    -0.50371159    -2.51796038    -0.63577321
 O                    -0.11296323    -0.79571149     1.42716820
 H                     0.66333518    -1.22894523     1.83675381
 H                     0.03511177     0.23268814     1.51365795
 C                     0.10808869     2.61325519     0.79018031
 H                     0.33799005     3.66685004     1.02298285
 O                     0.27440094     1.72347166     1.63792800
 O                    -0.33767450     2.47327220    -0.44041913
 H                    -0.54632866     1.50049322    -0.65558942
12
SO3 + H2O + FA (PBE/TZVP A2 min.)
 S                     0.03359938    -1.15476600    -0.61294796
 O                     1.45916304    -0.93049852    -0.85527940
 O                    -0.89825799    -0.03824988    -0.96150208
 O                    -0.54137013    -2.49982456    -0.57428100
 O                     0.05646808    -0.80770590     1.43143448
 H                    -0.80853008    -1.11600374     1.76955737
 H                     0.08029891     0.22820056     1.53406072
 C                     0.10411537     2.62126268     0.81057757
 H                     0.31638309     3.67602906     1.05512750
 O                     0.18789182     1.73795109     1.67688043
 O                    -0.22884442     2.47334811    -0.45483845
 H                    -0.44442179     1.50239557    -0.67378520