! 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    1.0331358790   1.6696316837  -1.5708111264
F    0.3966135917  -3.1128188714   1.0749570162
F    2.1465813278  -4.3284682589   1.3770274429
F    1.5923129114  -3.7092195910  -0.6083282141
O    0.9524326277   3.0109025982  -2.1132482760
O    1.0245877003   0.5453065414  -2.4899512718
O   -0.0505598007   3.2375646797   0.6973195368
O   -3.1964858801  -1.9060921836  -1.1171840186
N   -0.2924954106   1.3893338894  -0.5989453561
N   -1.9137429276   1.9900886996   0.9570336948
N   -3.9764726251   1.1007408194   1.3309940554
N   -2.4867763734   0.0179237198  -0.1299741521
N   -4.6287170671  -0.8777865253   0.2371194041
C    2.7784819661   0.3773871688   0.1667633792
C    1.9876361105  -0.8980262673   0.0085052943
C    2.4188093117   1.5759534852  -0.4738891759
C    2.5090783239  -2.0664174634   0.8348841084
C    3.9095459650   0.4282796838   0.9748430999
C    3.1420187769   2.7498939515  -0.3099111498
C    1.6649797809  -3.2987948648   0.6677195824
C    4.6452376922   1.5937652105   1.1398964669
C    4.2648291050   2.7590972636   0.4997745469
C   -0.6986639772   2.2697135521   0.3653952405
C   -2.8196978130   0.9970716432   0.7022647930
C   -4.8550003430   0.1383787018   1.0575503898
C   -3.4278057781  -0.8904744554  -0.3202315440
C   -6.1875851555   0.2352312137   1.7043584296
C   -1.9154067145  -2.0332359414  -1.7327820531
H    0.9507561882  -0.7008206423   0.2913614577
H    1.9803200053  -1.1782108210  -1.0445520030
H    3.5285819678  -2.3247153728   0.5436284412
H    2.5239136755  -1.8217086902   1.8985389726
H    4.2394420355  -0.4587920412   1.4958356465
H    2.8421281158   3.6594417880  -0.8087059450
H    5.5193060796   1.5830752358   1.7767970861
H    4.8289798374   3.6721851787   0.6264915566
H   -0.9004181563   0.5880775877  -0.8112236643
H   -2.2089207029   2.6790982699   1.6374596136
H   -6.0867847771   0.4528497102   2.7666116873
H   -6.7453020394   1.0618087072   1.2597023817
H   -6.7626603772  -0.6767427732   1.5736243473
H   -1.9677266784  -2.9334801611  -2.3372833141
H   -1.1294510215  -2.1540941350  -0.9877446672
H   -1.6915709637  -1.1852683745  -2.3797090063
*