%Chk=h2so4_TS
#RB3LYP/6-31G(d,p) Opt=QST2 SCF=Tight Int=Ultrafine Freq

H2SO4 

 0 1
S  0.0 0.0 0.1638626454
O  0.0131754309     1.2806561883    0.8363875059
O  -0.0131754309     -1.2806561883     0.8363875059
O  1.2591109434     -0.052668041    -0.8638212622
O     -1.2591109434     0.052668041     -0.8638212622
H   -1.4944625154     -0.8635410739     -1.0914311133
H   1.4944625154    0.8635410739     -1.0914311133

SO3.H2O 

 0 1
S  -0.176937   -0.070220    0.094989
O  -0.356737    1.332494    0.440018
O  -0.208839   -1.079928    1.135704
O  0.288942   -0.418893   -1.239325
O  -2.412810   -0.264933   -0.561840
H  -2.349620   -0.439257   -1.512709
H  -2.747023    0.640738   -0.480620