! 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    1.3377097584   1.2156887478   1.5868925196
F    2.7211357763  -4.2437958949   0.2567774352
F    1.9273638526  -3.6104543632  -1.6404280818
F    0.8294483064  -3.2217469138   0.1660355223
O    1.5056747544  -0.1000880394   2.1778928844
O    1.3265205766   2.3765010342   2.4544048659
O   -0.0890962010   3.1702463619  -0.1312845469
O   -5.9720151465  -0.0787698283  -1.1069107484
N   -0.1264739106   1.0990177691   0.8000863264
N   -1.9219749323   1.8842381620  -0.4412095252
N   -2.3425776865  -0.2381343618   0.4151939780
N   -3.9592818262   0.9439610687  -0.8161955625
N   -4.4508249992  -1.1938444830   0.0590040342
C    2.7606245169   0.5234336880  -0.6954696633
C    2.0207271774  -0.7779909378  -0.8591118049
C    2.5350573852   1.4726209036   0.3081295290
C    2.7802522415  -1.9328285483  -0.2043872017
C    3.7715980730   0.8073145945  -1.6100389730
C    3.2768653285   2.6463313121   0.3900151040
C    2.0678719406  -3.2466769180  -0.3559862752
C    4.5288503504   1.9645695760  -1.5310588816
C    4.2820095305   2.8891808085  -0.5286025996
C   -0.6629289934   2.1227184980   0.0738499692
C   -2.7596395759   0.8159839669  -0.2661844259
C   -3.2322961424  -1.2249069838   0.5576269811
C   -4.7551571909  -0.0877446249  -0.6194746580
C   -2.7993420384  -2.4113647559   1.3371311403
C   -6.4211047021   1.0584720593  -1.8456120315
H    1.0061502901  -0.7226477594  -0.4717716664
H    1.9217375817  -0.9645560594  -1.9289501950
H    3.7721290923  -2.0336980116  -0.6495217502
H    2.9226891824  -1.7438845624   0.8592515881
H    3.9649191946   0.0984740156  -2.4055772352
H    3.0809876775   3.3717352513   1.1653811002
H    5.3086313419   2.1455614925  -2.2582951415
H    4.8616729422   3.7989450339  -0.4608871870
H   -0.7026277950   0.2520778569   0.9362237076
H   -2.3047936928   2.6545327296  -0.9746593379
H   -3.5598993803  -3.1861501477   1.3386374487
H   -1.8746143131  -2.8186033721   0.9285749354
H   -2.5918682398  -2.1194701093   2.3676496308
H   -5.8317706070   1.2027755085  -2.7498777535
H   -6.3915368368   1.9637026771  -1.2413813801
H   -7.4495536582   0.8405389839  -2.1173871566
*