! 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   -2.6557573792  -0.3817987506  -1.5992218503
O   -2.4232443213   1.2814861918   1.7684454310
N   -2.3489471648  -0.2382427853   0.0602632754
C    2.0143646971  -1.4801436499  -0.2872045913
C    0.4963245206  -1.3948632689  -0.4183199574
C    2.6717782069  -0.2063647480   0.2315572275
C   -0.2268275518  -1.2389642268   0.9141167138
C    4.1923912594  -0.2912911090   0.2480236920
C   -1.7420080500  -1.3261225324   0.8136644256
C    4.8619134576   0.9758936035   0.7640952767
C    6.3797279059   0.8799338463   0.7750371644
C   -2.6119130019   0.9977346199   0.5859159462
C   -3.1332063762   1.8531740327  -0.4657703733
C   -3.1995551916   1.2386969502  -1.6587397532
H    2.4349829024  -1.7177197073  -1.2691763995
H    2.2773359354  -2.3191301623   0.3659508773
H    0.1334230154  -2.3016366276  -0.9128308271
H    0.2476439199  -0.5629054914  -1.0842076516
H    2.3164177824   0.0172765924   1.2422125115
H    2.3620833707   0.6385436443  -0.3936697286
H    0.0452379304  -0.2993116860   1.4000136226
H    0.0888945889  -2.0381003895   1.5916580229
H    4.5549665955  -0.5051267001  -0.7634940574
H    4.5020897397  -1.1410939070   0.8662944982
H   -2.1884508115  -1.3145183844   1.8077279619
H   -2.0432653480  -2.2671990161   0.3504820122
H    4.5539284822   1.8250821140   0.1464334247
H    4.5015473663   1.1897565374   1.7749260438
H    6.7726023376   0.7007371575  -0.2275546934
H    6.8376786620   1.7970755234   1.1477785133
H    6.7203009219   0.0608705484   1.4113285902
H   -3.4287492779   2.8753287929  -0.2863204069
H   -3.5456329871   1.6489027103  -2.5959578560
*