! 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   -3.5481115155  -0.2901700503   0.6309772958
O   -1.3449320702   1.8837847645  -1.5146955275
N   -2.1150471191   0.4254185487   0.0752243869
C    2.1295781754  -1.0155530600   0.1183297804
C    0.9288344481  -1.8610241293   0.5293543155
C    3.4462433733  -1.5995181860   0.6183517889
C   -0.4069903524  -1.3700153190  -0.0184540234
C    4.6896011533  -0.8551543947   0.1409788062
C   -0.8291753168  -0.0318045942   0.5718861255
C    4.7982976732   0.5828937741   0.6343114832
C    6.0824353467   1.2588398350   0.1767737961
C   -2.2795414859   1.3092680381  -0.9595123431
C   -3.6986114442   1.4283865273  -1.2506966573
C   -4.4623998393   0.6320579456  -0.4862284586
H    2.0136305067   0.0052285363   0.4929838650
H    2.1586663530  -0.9377632392  -0.9743108067
H    0.8755777848  -1.9162326757   1.6219561171
H    1.0839983742  -2.8867242671   0.1836538064
H    3.5148199379  -2.6417425797   0.2907779613
H    3.4371920151  -1.6279770384   1.7133688497
H   -1.1762835811  -2.1155168552   0.2013806126
H   -0.3557214427  -1.2844577715  -1.1076227574
H    4.7188695348  -0.8652205012  -0.9542171638
H    5.5764452352  -1.4062128204   0.4700689993
H   -0.1120670602   0.7523133762   0.3336194769
H   -0.8764944502  -0.0900193337   1.6612384394
H    3.9428176770   1.1670158664   0.2850183835
H    4.7480571863   0.5941141539   1.7277092657
H    6.9633317620   0.7223980854   0.5347762795
H    6.1428031754   1.2963836458  -0.9126956808
H    6.1503106599   2.2837334503   0.5438682084
H   -4.0767152873   2.0905159831  -2.0145436360
H   -5.5375096356   0.5298142341  -0.5045034471
*