! 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   -3.3198909533  -0.7732664828   0.0888045718
O   -0.9561514377   2.1167525644  -0.4182573987
N   -1.9555140282   0.1976446083   0.3490325758
C    1.4701087151  -0.5952874672  -0.7097520795
C    0.3432607712  -1.5989331832  -0.4791360259
C    2.6452821271  -0.7402555186   0.2489608078
C   -0.2926115805  -1.5645793585   0.9064839548
C    3.7929519894   0.2056067359  -0.0800965873
C   -0.9316951145  -0.2355684276   1.2858386197
C    4.9754024420   0.0759386402   0.8708345791
C    6.1120133636   1.0283738562   0.5323045605
C   -1.8761471898   1.3014637845  -0.4601259081
C   -3.0430019022   1.3311346343  -1.3260299116
C   -3.8725964736   0.2945524365  -1.1295817934
H    1.0842398318   0.4267378600  -0.6577035169
H    1.8318975769  -0.7206470633  -1.7349968079
H    0.7277002783  -2.6089028964  -0.6480552956
H   -0.4306117381  -1.4477435598  -1.2381746805
H    3.0065330521  -1.7745746668   0.2278464124
H    2.3182054308  -0.5548909643   1.2773199599
H    0.4488135196  -1.7911619381   1.6763606372
H   -1.0364003681  -2.3635317454   0.9792561508
H    3.4271094110   1.2382144106  -0.0623908603
H    4.1318180880   0.0228504952  -1.1057505706
H   -0.1918132507   0.5624582135   1.3207758543
H   -1.3666878311  -0.3018522790   2.2845138754
H    4.6383151347   0.2583458386   1.8957736856
H    5.3439869336  -0.9542204871   0.8519076063
H    6.4902148352   0.8509695309  -0.4762886634
H    5.7851393646   2.0688784352   0.5807709296
H    6.9502185671   0.9159727661   1.2212242837
H   -3.2049999502   2.1187562633  -2.0458118668
H   -4.8035159885   0.0859289997  -1.6360295684
*