! 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   -2.8996247935   0.0654212190   1.0592760706
O   -1.9264609173   0.6212461921  -2.5373646208
N   -2.3563198239  -0.3332311493  -0.4960045884
C    1.8931728787  -1.2610363430   0.4448314968
C    0.6029187705  -0.9265366047  -0.2926265291
C    3.0194906642  -0.2755400768   0.1619767031
C   -0.5100587079  -1.9200859290   0.0070847020
C    4.3094866529  -0.6241758284   0.8947519877
C   -1.8018900470  -1.6523838053  -0.7497600774
C    5.4769089017   0.3099536161   0.5889693255
C    5.2690494706   1.7386030236   1.0718716944
C   -2.3291173124   0.7152370101  -1.3795497206
C   -2.8507975712   1.8987327733  -0.7152941153
C   -3.1775494777   1.6823003947   0.5682817400
H    2.2164510530  -2.2711768513   0.1712966533
H    1.6969053210  -1.2873275742   1.5222410116
H    0.7903104896  -0.9041806739  -1.3711456546
H    0.2858116057   0.0844767938  -0.0161695918
H    2.6883634752   0.7306388968   0.4373407897
H    3.2142288520  -0.2467210600  -0.9159531637
H   -0.7062288455  -1.9450433382   1.0840692450
H   -0.1884818565  -2.9300574921  -0.2608881933
H    4.5972985242  -1.6473714767   0.6332887434
H    4.1247578374  -0.6297715602   1.9747983619
H   -2.5518486501  -2.4052839742  -0.5027265304
H   -1.6355942754  -1.7142277814  -1.8242948000
H    6.3818672033  -0.0923558797   1.0518873127
H    5.6656970293   0.3116479261  -0.4891575492
H    5.0785614040   1.7671083301   2.1468804027
H    6.1501675457   2.3524431095   0.8797374041
H    4.4262581275   2.2227206510   0.5768291006
H   -2.9487741306   2.8472679356  -1.2209624383
H   -3.5813909809   2.3901518393   1.2772253199
*