! 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   -3.2428842063  -0.5440110525   0.4391260367
O   -1.4260287209   2.1701001864  -1.4342416050
N   -2.0582712291   0.1530653984  -0.5529544647
C    2.2654675788  -2.0246453079   0.8205685858
C    1.3112385511  -1.6265751980  -0.3016085458
C    2.8593114262  -0.8603401579   1.6120120557
C    0.1123190827  -0.8145748571   0.1712382609
C    3.5991881192   0.1815378916   0.7767613571
C   -0.8966292538  -0.6214266930  -0.9506325893
C    4.7778938258  -0.3734113385  -0.0133029507
C    5.5486832217   0.7113169502  -0.7510954692
C   -2.2165320895   1.4956551337  -0.7779034266
C   -3.4391784749   1.9368434168  -0.1268719093
C   -4.0601685950   0.9572288685   0.5484578326
H    3.0715151650  -2.6285037257   0.3949467199
H    1.7376863885  -2.6848553567   1.5154855011
H    0.9534432092  -2.5383533555  -0.7892401510
H    1.8484526615  -1.0672624570  -1.0737651961
H    3.5462173807  -1.2675110472   2.3604878390
H    2.0680935725  -0.3623815287   2.1798386834
H    0.4287767662   0.1647537135   0.5384358194
H   -0.3670396778  -1.3262896486   1.0118852383
H    3.9603929809   0.9690172759   1.4457533760
H    2.9041986123   0.6755985672   0.0891751315
H   -1.2358881627  -1.5860155482  -1.3319659712
H   -0.4420589163  -0.0976377502  -1.7908894863
H    5.4519233404  -0.9031793639   0.6672588971
H    4.4287885079  -1.1179424409  -0.7344340874
H    4.9101355294   1.2347698153  -1.4653075146
H    5.9461889744   1.4565922560  -0.0595196996
H    6.3909622650   0.2975145391  -1.3071844553
H   -3.7881189514   2.9562985065  -0.1857643122
H   -4.9766624522   1.0225561925   1.1162578898
*