! 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   -1.4061531932   2.5943479138  -0.3491980136
O   -2.0663649648  -0.7966216002   0.9393647720
O   -1.5857429589   3.2007172697   0.9497391208
O   -1.3719641994   3.3854439353  -1.5518707707
O    0.4898736497   1.3724680506  -2.4294797627
O    1.1875905799   0.2368493333   3.7058964612
O    4.4505159570  -2.3409371674   1.6440251022
N   -2.6060580736   1.4671923327  -0.4878522605
N    0.0288363397   1.7556657417  -0.2177738668
N    1.7244308999   0.3165350602  -0.8700743625
N    1.4547394908   0.3173175925   1.4372774998
N    3.0907579069  -1.0102073013   0.3756128409
C   -0.7288909045  -2.4461895391  -0.0756785659
C   -1.1880755473  -3.6641023747   0.7090069565
C   -0.0784666068  -2.8344227446   1.2242137540
C   -1.6429183038  -1.2865666883  -0.0978700802
C   -2.0655660859  -0.7514784360  -1.4209155972
C   -2.5448018714   0.5612316825  -1.5783320040
C   -2.0438107760  -1.5839790680  -2.5404037529
C   -2.9701777427   1.0081733322  -2.8194039589
C   -2.4767116777  -1.1375824295  -3.7768474178
C   -2.9370353834   0.1627790340  -3.9158751088
C    0.7124114864   1.1700166486  -1.2572518996
C    2.0964369891  -0.1412357543   0.3761170188
C    1.8230832921  -0.1671167909   2.6192526552
C    3.4596429394  -1.4696590192   1.5636998588
C    2.8502913378  -1.0837491896   2.7526034226
C    0.0880778412   1.1355801784   3.5680448353
C    5.1005598143  -2.7674457440   0.4487643991
H   -0.1703786263  -2.6491377220  -0.9786231773
H   -2.1507638935  -3.5963999736   1.1985419557
H   -0.9670575116  -4.6266957877   0.2688294263
H    0.9275400043  -3.2249106670   1.1524337262
H   -0.2675867586  -2.2081228222   2.0855994427
H   -1.7076271326  -2.6071867033  -2.4455359394
H   -3.3519103369   2.0140324414  -2.9211932636
H   -2.7489703610   0.9931936454   0.4034700920
H   -2.4624114810  -1.8067254162  -4.6257219110
H   -3.2856076906   0.5186168554  -4.8759024053
H    2.2468611317  -0.0753584352  -1.6424013669
H    3.1549250599  -1.4749887893   3.7119410953
H   -0.2861728501   1.2979933556   4.5746374007
H   -0.7086537341   0.7016478975   2.9628662172
H    0.3992254895   2.0928340281   3.1496412469
H    5.5660619328  -1.9343573273  -0.0764258408
H    4.4127164333  -3.2793203301  -0.2234240225
H    5.8711762871  -3.4631627557   0.7682204389
H    0.2921672035   1.4296201719   0.7279779209
*