! 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   -1.7956356224   1.6888193325  -0.4268513333
O   -3.2243097518  -1.7781427992  -0.0607854893
N   -2.0292156744   0.0460670298  -0.7737316417
C    1.9949552928  -1.3165188416   0.4648010663
C    0.5454446273  -1.3858712679  -0.0101779130
C    2.4040620339   0.0604690266   0.9781017344
C    0.2958091197  -0.6358404849  -1.3118512765
C    3.7913044705   0.0963671737   1.6147475460
C   -1.1648939965  -0.6161479830  -1.7367929727
C    4.9495400078  -0.2385544413   0.6776137301
C    5.0806107922   0.7154322903  -0.5010291446
C   -2.9513495083  -0.5822069284   0.0235944027
C   -3.5223082993   0.3954239430   0.9358505251
C   -2.9915707026   1.6200656072   0.7962953401
H    2.6558705136  -1.6331133413  -0.3487400268
H    2.1377371956  -2.0449011574   1.2690635329
H   -0.1021885677  -0.9949877834   0.7816456049
H    0.2572810989  -2.4317799720  -0.1491732059
H    1.6723856051   0.3845625592   1.7251193361
H    2.3483272935   0.7996841065   0.1739591036
H    0.8604578657  -1.1067602040  -2.1206896918
H    0.6693040084   0.3905851269  -1.2477595935
H    3.8089170309  -0.5958225635   2.4627073140
H    3.9595894559   1.0925757538   2.0362391668
H   -1.5478469669  -1.6296753645  -1.8484067608
H   -1.2735574193  -0.1280662009  -2.7062957415
H    5.8771151818  -0.2190549056   1.2558804542
H    4.8533778632  -1.2636809150   0.3092600401
H    5.9697309841   0.4928587743  -1.0926387070
H    4.2242181191   0.6585525286  -1.1750346622
H    5.1629129673   1.7511196960  -0.1639123404
H   -4.2886303338   0.1377267454   1.6509666838
H   -3.2376779613   2.5150354745   1.3486516041
*