! 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   -2.0184028448   0.1250903937   1.1761620441
O   -3.0068688533   0.2937509183  -2.4502111026
N   -2.0395657506  -0.2967191584  -0.4635152648
C    1.5091501775  -0.8549213884   0.6298120675
C    1.0381238949   0.0005073613  -0.5397245883
C    2.3661358214  -0.0956463880   1.6402740979
C    0.1642757691  -0.7423225580  -1.5457471016
C    3.6901598877   0.4457505504   1.1063917465
C   -1.1375507572  -1.3074076563  -0.9954028152
C    4.6418485644  -0.6291479348   0.5955299232
C    6.0016927788  -0.0697524021   0.2062381167
C   -2.8853964130   0.4525205724  -1.2361776570
C   -3.5757755053   1.4063233867  -0.3857445154
C   -3.2008979865   1.3300950623   0.9018911066
H    2.0515216549  -1.7253980896   0.2475621576
H    0.6484305722  -1.2643774087   1.1674855675
H    1.9040069568   0.3901760404  -1.0813411199
H    0.5113686432   0.8817883224  -0.1594422184
H    2.5738652888  -0.7544199978   2.4890913257
H    1.7779151916   0.7354649420   2.0426013570
H    0.7236610827  -1.5861612937  -1.9603050899
H   -0.0637082213  -0.0847857353  -2.3877101300
H    4.1838760379   1.0010438092   1.9102564047
H    3.5090896373   1.1770885474   0.3120071661
H   -0.9524660101  -2.0430712916  -0.2121673209
H   -1.6749504296  -1.8353657306  -1.7828485901
H    4.7692684109  -1.3951709683   1.3672956533
H    4.2042034081  -1.1388382145  -0.2673986508
H    5.9124658650   0.6762335102  -0.5858324512
H    6.4903142778   0.4117038944   1.0555973593
H    6.6692617027  -0.8528017329  -0.1559214864
H   -4.3099027867   2.0978678343  -0.7694237929
H   -3.5568657383   1.9227410374   1.7315964799
*