! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S    1.4936683662   0.1891770575   2.0416789803
O    1.3476258952   1.4617891181   2.7116152782
O    1.6572179530  -1.0348756477   2.7869158981
O    2.7257563789   1.5516217770  -1.5045629353
O    0.4435621835  -2.0024630375   0.2986318275
O   -5.9119836746   0.1011364616  -0.8101196082
O   -3.1425924444   3.0090984795   1.5161740403
N    2.7644548858   0.3542721194   1.0226112379
N    1.6226856443   0.0938673794  -2.8197803308
N    0.1026032071   0.0893189166   1.1215008343
N   -1.5593091496  -1.0261886401  -0.0537151472
N   -3.7278981585  -0.4657813895  -0.4423314485
N   -2.3242260929   1.0213442318   0.7359622703
C    3.2975501938  -0.7189896595   0.2655935745
C    3.1769150454  -0.7313652341  -1.1287289974
C    2.4769920014   0.3860332621  -1.8325519526
C    4.0009233143  -1.7244192994   0.9132796808
C    3.8143797665  -1.7368647778  -1.8495602159
C    4.5964218427  -2.7390204874   0.1816768584
C    4.5175746703  -2.7397179488  -1.2027993542
C    1.0455748146   1.1750646959  -3.5975017436
C    1.0743446789  -1.2210097554  -3.0989017525
C   -0.2811873187  -1.0424996091   0.4547260362
C   -2.5763559022  -0.1059219417   0.0932693561
C   -4.7263947724   0.3953642788  -0.3040898752
C   -3.3374237822   1.8722236437   0.8706872641
C   -4.5958008108   1.6099950767   0.3587464836
C   -6.0891224088  -1.1419401994  -1.4860063431
C   -1.8546108505   3.2801446633   2.0660468833
H    2.7296062953   1.2335624362   0.5075919493
H    4.1085425220  -1.7007562983   1.9880767395
H    3.7690971945  -1.7368336266  -2.9306185906
H    5.1457872686  -3.5153844689   0.6964554937
H    5.0077892620  -3.5120107023  -1.7793071799
H   -0.5964559949   0.8400706714   1.2176801634
H    0.1197484892   1.5409894800  -3.1491859086
H    0.8193304965   0.8064132117  -4.5960232189
H    1.7384286817   2.0056471405  -3.6936184257
H   -0.0055003952  -1.1341121949  -3.2182714352
H    1.4790765496  -1.6352104900  -4.0230037384
H    1.2608036913  -1.9188272488  -2.2903210502
H   -5.4196128251   2.2994956414   0.4695983687
H   -7.1291397795  -1.1583037041  -1.7993174132
H   -5.9004070863  -1.9891603179  -0.8276496419
H   -5.4497584475  -1.2175627390  -2.3647904190
H   -1.5749014928   2.5409872805   2.8167580998
H   -1.9385800987   4.2515546981   2.5447827723
H   -1.0896450086   3.3338945401   1.2915279635
H   -1.8145597706  -1.8681929639  -0.5528330943
*