! 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   -1.0487559080   1.3596602091  -1.4737414003
O   -1.7090795300   1.3778061343  -2.7616856588
O   -0.5910342736   2.6046036014  -0.8844628706
O    0.4956517667   0.5553070475   1.4958587870
O   -0.7108794956  -1.4471600866  -2.3134205016
O   -6.1938047039  -2.4434548866   1.3063083951
O    5.3454523793  -2.8569932609   0.3728744996
O    4.1141686949   1.6173617723   0.2882095114
N    0.3273399864   0.4325785597  -1.5717420086
N   -0.6694260787   2.3172785638   2.3199938781
N   -5.1560491836  -1.4477006994  -0.4792768844
N    1.4142273400  -1.6200945363  -1.5784589358
N    3.3764106806  -2.2419845597  -0.6130915967
N    2.7733969157   0.0382988932  -0.6819938140
C   -2.0908091806   0.5228477691  -0.3094528579
C   -1.8076435694   0.5847041839   1.0532396474
C   -3.1999631327  -0.1416386136  -0.7953916737
C   -4.0636031666  -0.7937832454   0.0835663842
C   -2.6800499025  -0.0668995813   1.9122190233
C   -0.5510401207   1.1816574097   1.6209564791
C   -3.7921632832  -0.7514892667   1.4496067942
C   -1.8080409952   3.2065370890   2.2132166839
C    0.5084411386   2.9097212138   2.9213180962
C    0.2743427652  -0.9076071475  -1.8532227230
C    2.5708518714  -1.2436145959  -0.9252092968
C   -6.1066224944  -2.1989001338   0.1183192349
C    4.4878217770  -1.9106530966   0.0289783732
C    3.8774400344   0.3514256982  -0.0122424154
C    4.8022583976  -0.6022581650   0.3760233019
C    5.0479792828  -4.2131736947   0.0473733248
C    3.1501602708   2.6043129246  -0.0733316749
H   -3.4059369229  -0.1609389076  -1.8571391622
H   -2.4949943870  -0.0461784649   2.9780967291
H   -4.4338473764  -1.2396373089   2.1638641261
H   -5.2459428355  -1.3723533596  -1.4825756855
H   -2.1329655473   3.5198638332   3.2047775262
H   -2.6488984373   2.7283925428   1.7209420766
H   -1.5446243676   4.0988343712   1.6423334907
H    0.9915393278   3.6167527116   2.2421320067
H    0.2139010214   3.4524461343   3.8182253739
H    1.2289190178   2.1480754240   3.2042150431
H    1.3387335655  -2.6087414453  -1.7777867407
H   -6.8230635004  -2.5823192582  -0.6181945485
H    5.7045152445  -0.3474966678   0.9120967989
H    4.9741242689  -4.3622601924  -1.0292467423
H    4.1270694024  -4.5493448601   0.5225310322
H    5.8808995720  -4.7952028926   0.4315659927
H    2.1920119817   2.4166069890   0.4101494773
H    3.0157019815   2.6628677914  -1.1534621502
H    3.5483798736   3.5496412413   0.2843126511
H    1.1732811585   0.7706684587  -1.0883871136
*