! 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   -1.8570479343   1.5217845567  -0.3536539464
F    1.0504199313  -2.6853345876  -1.8515185911
F    1.6038267436  -2.0072077354   0.1109445440
F    0.7852531170  -3.9815461020  -0.1531352814
O   -1.7339908032   1.9756595267  -1.7231497174
O   -2.9089485275   2.0321137996   0.4971990643
O   -5.1324949428  -0.5502080733   0.9659512398
O   -4.8180440428   0.3862408078  -1.0477808561
O   -0.9098942162   0.8687898338   2.3345123328
O    5.7709657845   0.6470303922   1.2286836394
O    3.1360968915   2.2584375639  -2.2369242733
N   -0.7620334719  -0.8449060038  -0.4608975436
N   -0.3758407886   1.8089164100   0.3312845069
N    1.2724149123   1.1020096820   1.8164607252
N    3.5151770639   0.8665016937   1.5271012878
N    2.1847730218   1.6918951715  -0.2373511304
C   -1.9322624551  -0.2767066856  -0.3253819364
C   -3.1178435929  -0.9635966476  -0.1147240454
C   -0.6856874206  -2.1602424888  -0.3729230054
C   -3.0226081979  -2.3437023522  -0.0035223914
C   -1.7879544835  -2.9601896125  -0.1321545107
C   -4.4458272927  -0.2842901158  -0.1197214242
C    0.7001856151  -2.7173658851  -0.5631894948
C   -0.0636546913   1.2318781373   1.5458806201
C    2.3680246284   1.2264348669   0.9855265722
C    4.5858628433   0.9882719790   0.7536379145
C    3.2660596053   1.8037932362  -1.0030814437
C    4.5285231872   1.4615329266  -0.5518013065
C   -6.4510382025   0.0065090891   1.0647266140
C    5.8656391529   0.1372365725   2.5575565105
C    1.8351404264   2.5960696637  -2.7146606115
H   -3.9056209909  -2.9422334338   0.1717554510
H   -1.7093629021  -4.0334121587  -0.0426906864
H    1.4725733352   0.7192201505   2.7314476322
H    5.4080167331   1.5575731431  -1.1709696403
H   -6.4217749011   1.0935012308   1.0131449546
H   -7.0980758186  -0.3825565065   0.2810915240
H   -6.8268873278  -0.2998521286   2.0346870998
H    5.5280210595   0.8649234813   3.2943530972
H    6.9202823449  -0.0688385153   2.7164267235
H    5.2994062253  -0.7859197649   2.6750879955
H    1.9783161008   2.9477175910  -3.7321443351
H    1.1766026665   1.7274209819  -2.7327824565
H    1.3835261051   3.3949360162  -2.1262695603
H    0.4226775989   1.9322809659  -0.3140092304
*