! 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   -1.8086631862   1.6157932975   0.2570912177
F    0.8565217034  -2.1127254906  -2.3930438680
F    1.5110634005  -2.0245926005  -0.3477137308
F    0.6083534728  -3.8252245430  -1.1130993936
O   -1.8138363609   2.3882305543  -0.9675520450
O   -2.7310338411   1.9237563506   1.3266931504
O   -5.1358277808  -0.7124720962   1.1805571619
O   -4.8099692822   0.8175255352  -0.4247207995
O   -0.6171399647   0.3384662270   2.6001095753
O    3.0075633545   2.5302809067  -1.9999796504
O    5.9398625194   0.4029667735   0.9034414545
N   -0.8270227555  -0.6797202427  -0.4979919749
N   -0.2494713037   1.6993311616   0.8126847301
N    1.5135628698   0.6931103129   1.9533675311
N    2.2424855975   1.6471082208  -0.0358862713
N    3.7198495930   0.5375230202   1.4308588501
C   -1.9615404259  -0.1338455525  -0.1473209063
C   -3.1588257914  -0.8252694951  -0.0324858476
C   -0.7968516867  -1.9772530113  -0.7423881335
C   -3.1110405783  -2.1916530540  -0.2701559053
C   -1.9120852839  -2.7864133502  -0.6315667053
C   -4.4538187625  -0.1338278828   0.2218319822
C    0.5562476916  -2.4953852494  -1.1499152317
C    0.1602457278   0.8697089389   1.8362794105
C    2.5311466029   0.9764165385   1.0649316787
C    3.2484300704   1.8852070172  -0.8719102613
C    4.7174347695   0.8014437569   0.5976926363
C    4.5441218167   1.4815442148  -0.6019822185
C   -6.4237607850  -0.1662338071   1.4981930370
C    1.6674641275   2.9148494918  -2.3024110834
C    6.1566782943  -0.2911814642   2.1302250054
H   -4.0045712439  -2.7947363134  -0.1899526113
H   -1.8715917069  -3.8496265740  -0.8162299287
H    1.7878346801   0.1340457317   2.7507079557
H    5.3632775700   1.6816088512  -1.2765617242
H   -6.7983082424  -0.7599182749   2.3253289299
H   -6.3408214305   0.8749863565   1.8056505737
H   -7.1028896816  -0.2488349745   0.6512738902
H    1.7143278465   3.4037103899  -3.2710598947
H    1.2754439400   3.6203426968  -1.5698534392
H    1.0078869444   2.0497100695  -2.3762892066
H    5.6056616633  -1.2302603592   2.1648181090
H    7.2219388605  -0.5011720155   2.1624904525
H    5.8863254223   0.3186414007   2.9913786289
H    0.4797021478   1.9484793433   0.1249018168
*