! 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    1.7568944712  -0.9875560603  -1.3065990103
O    1.9564839202  -2.3362508660  -1.7851078163
O    1.8599222774   0.1099991583  -2.2407844265
O    1.3949328143   1.8591172329  -0.0140763738
O    2.7660418379   2.6257316917   1.5813874275
O    0.5921010887  -2.4369462574   0.9481973837
O   -5.7115737293   0.0839636070   1.2010192270
O   -2.9969904523   1.6007349561  -2.2440338536
N    3.7278541644  -1.6336695040   0.4994738378
N    0.2557184591  -0.8448370529  -0.6296819303
N    4.4734633873  -1.1509177462   1.4826914603
N   -1.4280753568  -1.4327752943   0.8550743396
N   -3.5626830627  -0.6762112221   1.0338512204
N   -2.1834919524   0.1088543925  -0.7130888308
C    2.8507707839  -0.7139537474   0.0504564558
C    3.0526772877   0.4403167750   0.7986779151
C    4.0823202381   0.0893854418   1.6762057086
C    3.9318272306  -3.0203128086   0.1122016673
C    2.3997833494   1.7517949755   0.8289809865
C   -0.1449367460  -1.6316510231   0.4165377499
C    0.6447451151   3.0869009098  -0.0405838598
C   -2.4295448264  -0.6226293003   0.3610283218
C   -0.4681722775   3.0775665551   0.9790747294
C   -4.5466503989   0.0870013395   0.5781901862
C   -3.1834914595   0.8627221757  -1.1629954697
C   -4.4187928360   0.9004068404  -0.5419711185
C   -5.8845123245  -0.7460155775   2.3483724013
C   -1.7518583027   1.5204089228  -2.9322093866
H    4.5427320416   0.6989861312   2.4365800227
H   -0.4194319129  -0.1732690310  -1.0221031302
H    4.3071424786  -3.0936496668  -0.9034654287
H    3.0129077122  -3.5876008938   0.2135101533
H    4.6737757835  -3.4228659802   0.7921545820
H    0.2492204910   3.1470134505  -1.0524296076
H    1.3091294806   3.9389840498   0.1006211572
H   -1.1370117924   2.2289557305   0.8337039728
H   -0.0887589445   3.0471478906   1.9998082999
H   -1.0575904398   3.9877503004   0.8689901238
H   -5.2298949575   1.5128566204  -0.9068767735
H   -6.9091986772  -0.5865167507   2.6715944514
H   -5.7449123069  -1.7993700528   2.1084446719
H   -5.2070302133  -0.4654868001   3.1539450133
H   -1.8555127289   2.1571250821  -3.8058101239
H   -0.9298731450   1.8996567268  -2.3245744438
H   -1.5312613852   0.5038420138  -3.2571913148
H   -1.6851486208  -1.9931107818   1.6574861864
*