! 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   -1.6130967142   0.5821826928   1.2084440383
O   -2.1606625847   0.3021890986  -2.5075420337
N   -1.8557914617  -0.1802610819  -0.2854442852
C    2.2050156317  -1.9498880666  -0.5655228634
C    0.7975459379  -1.4639340863  -0.9029048719
C    2.6557426889  -1.6762270340   0.8698862792
C   -0.2895789485  -2.0911981869  -0.0415575599
C    2.5396034041  -0.2221848597   1.3194449255
C   -1.6932064032  -1.6212979148  -0.3939259772
C    3.3395561107   0.7643443339   0.4781746276
C    3.2427726684   2.1881584984   1.0046838068
C   -2.0123018963   0.6757322370  -1.3458477048
C   -1.9753066690   2.0425811569  -0.8520818466
C   -1.7649173900   2.1199565533   0.4711322709
H    2.9077785453  -1.4881045773  -1.2642819194
H    2.2680799526  -3.0264950007  -0.7510933348
H    0.5894403664  -1.6835521893  -1.9542758862
H    0.7598752954  -0.3735071397  -0.8140609663
H    3.6965941643  -1.9986793241   0.9720877236
H    2.0855404436  -2.3040965363   1.5605922817
H   -0.0975399382  -1.9047207797   1.0194086181
H   -0.2758694668  -3.1783257334  -0.1582470832
H    2.8732300362  -0.1522091164   2.3597128244
H    1.4876017944   0.0842279202   1.3284877299
H   -2.4325248234  -2.1126167125   0.2407897733
H   -1.9372285058  -1.8796224276  -1.4234604071
H    4.3883807705   0.4520871300   0.4524502705
H    2.9923108498   0.7421427942  -0.5587012333
H    2.2080421444   2.5372392793   1.0101009176
H    3.6172565808   2.2599694939   2.0276361780
H    3.8199005334   2.8838016752   0.3940834605
H   -2.0990441428   2.8939597100  -1.5035597648
H   -1.6913021263   3.0090179274   1.0799507319
*