! 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   -1.9663984912  -1.7431126000   0.3242746320
S   -3.5930079527   2.1957431733  -0.0317050722
O   -1.8230653885  -1.9799714732   1.7447406390
O   -2.6190367213  -2.7434630214  -0.4940625882
O   -1.2510546436   2.7482021146   1.4095944953
O   -1.0535351079  -0.8418316980  -2.3116739804
O   -0.4256249918   0.6783490444   1.6471756230
O    5.4322626262   0.6249279743  -0.9786695502
N   -0.4219026024  -1.5011969694  -0.2343936640
N    1.1036563324  -0.5573489833  -1.7136205193
N    2.1285743670  -1.0977054589   0.3043570690
N    3.2708143867   0.0510255305  -1.3996822250
N    4.3642396857  -0.4741771448   0.6252700602
C   -2.8134908596  -0.2210868504   0.0264359401
C   -2.4485374441   1.0274923255   0.4716673217
C   -4.0156128448  -0.2244693786  -0.7151174854
C   -4.5454655869   1.0267221974  -0.8145375830
C   -0.1886869159  -0.9695441329  -1.4716813598
C   -1.2649010717   1.4391224494   1.2381219470
C    2.1990083192  -0.5411804890  -0.8917288649
C    3.2457631676  -1.0387717606   1.0343042437
C    4.3150779614   0.0552299253  -0.5959020336
C    3.2081478731  -1.6742900878   2.3747693443
C   -0.1393563273   3.3097186068   2.1147660210
C    5.4886794749   1.2571007851  -2.2585297523
H   -4.4677114054  -1.0992929969  -1.1545446412
H    0.3529685669  -1.4919163204   0.4458237631
H   -5.4552363999   1.3094653520  -1.3215708076
H    2.3114466950  -1.3775647671   2.9169027992
H    3.1694992975  -2.7591513309   2.2601987297
H    4.0867150125  -1.4209395898   2.9605855694
H    0.7912619572   3.1317539613   1.5796444798
H   -0.3291400241   4.3764015509   2.1647226773
H   -0.0666055365   2.9070926128   3.1228067990
H    4.7579148075   2.0604001975  -2.3382506343
H    5.3333308949   0.5408042913  -3.0637807249
H    6.4891163384   1.6722018492  -2.3341235276
H    1.2400760059  -0.1408901074  -2.6261485257
*