! 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   -1.4317268823  -0.0367258298  -1.7449098742
O   -1.2602436953  -1.4758987276  -1.8365884528
O   -1.9501527678   0.6926323220  -2.8829538167
O   -1.8843765221  -2.7390521802   1.1759437606
O   -0.5257778949   2.7149738753  -1.1652091346
O   -0.1746658229  -1.3018170220   1.0462715770
N    0.0785742300   0.5308607578  -1.3654966374
N    1.5409410584   2.1010704827  -0.4919304200
N    3.5394890767   1.8035792539   0.5669457980
N    2.4301764953  -0.0452340551  -0.3975963365
C   -2.4533808337   0.3146727811  -0.3396409022
C   -2.3971240563  -0.4981249356   0.7940212419
C   -3.3774374305   1.3420923842  -0.4408446986
C   -3.2943373176  -0.2628027043   1.8258849201
C   -4.2503587564   1.5791169458   0.6105547394
C   -4.2105972944   0.7764544438   1.7378390175
C    0.3023416623   1.8377061364  -1.0199354216
C   -1.3522605947  -1.5476841117   0.9951524205
C    2.5441846721   1.2331545730  -0.0975032104
C    4.5053358003   0.9970505679   0.9913792310
C    3.3814037544  -0.8724121813   0.0456832583
C    4.4551320429  -0.3759725142   0.7568525538
C    5.6483551123   1.5987055025   1.7339592931
C    3.2145986850  -2.3170060854  -0.2711641274
C   -0.9837247457  -3.8187465644   1.4510887982
H   -3.4313307207   1.9529851048  -1.3297526912
H   -3.2710877853  -0.8807647696   2.7133651235
H   -4.9669366086   2.3848751203   0.5368738445
H   -4.8954295899   0.9529628427   2.5556338752
H    1.6877186740   3.0691212481  -0.2391993108
H    5.2354020802  -1.0297998694   1.1196858234
H    5.4949962114   2.6603255929   1.9102050962
H    5.7892653861   1.0997420270   2.6929934517
H    6.5739573126   1.4708761120   1.1706033011
H    3.2646898398  -2.4765689310  -1.3492648748
H    3.9812683447  -2.9258281964   0.2018113665
H    2.2348978362  -2.6633893184   0.0601631985
H   -0.4496037382  -3.6569599843   2.3862833872
H   -0.2688689985  -3.9513109861   0.6399163165
H   -1.6022798250  -4.7064990157   1.5356652821
H    0.8134226054  -0.1507100458  -1.0951317611
*