! 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   -0.6338482836   1.0523889848   0.6255101165
O   -3.3480859519  -0.2609034899  -1.6262066854
N   -1.6783862632  -0.0840319818  -0.0726170362
C    1.5755872583  -2.0230818710   0.3634515043
C    0.7464750336  -1.8086158950  -0.8993320143
C    3.0103664727  -1.5111083853   0.2368664052
C   -0.7038893720  -2.2667292463  -0.7848773826
C    3.1472599619   0.0109989083   0.2499941443
C   -1.5521611388  -1.5033868871   0.2233200694
C    2.9326391466   0.6373128181   1.6232536905
C    2.9680366386   2.1573958887   1.5866622380
C   -2.5410323154   0.4281625085  -1.0044290631
C   -2.3276875428   1.8621479996  -1.1016726227
C   -1.3505825140   2.3048306384  -0.2934100933
H    1.5957539226  -3.0940085103   0.5864974230
H    1.0949837682  -1.5540405245   1.2278788430
H    1.2126491178  -2.3651727984  -1.7173120110
H    0.7794099225  -0.7592834672  -1.2050883007
H    3.4421633105  -1.9068586712  -0.6875133537
H    3.6147812643  -1.9241465407   1.0502782822
H   -0.7345342439  -3.3202345512  -0.4921865782
H   -1.1841920212  -2.2076879320  -1.7641579370
H    2.4507250362   0.4586448558  -0.4664277519
H    4.1471867537   0.2820018792  -0.1020725782
H   -1.1557744720  -1.6039661775   1.2340223823
H   -2.5592923244  -1.9189907257   0.2513246871
H    1.9780700657   0.3106875835   2.0443132376
H    3.7028983519   0.2699066177   2.3080927815
H    3.9192179877   2.5240710808   1.1959368852
H    2.1794593655   2.5579020423   0.9453695826
H    2.8327926616   2.5872545060   2.5798634272
H   -2.9046368277   2.4886626344  -1.7643147601
H   -0.9972690338   3.3187508207  -0.1777903643
*