! 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    1.2202967367   1.5310929767   1.6596842828
F   -0.1868294320  -2.4647248443  -0.5949333436
F    1.5634901144  -3.5298361677  -1.2466528415
F    0.2706501991  -2.5950746109  -2.6917190130
O    1.2693816866   0.4482243676   2.6268445553
O    1.0289564385   2.8840288013   2.1406312393
O    0.1588629539   2.8594915369  -0.7583267055
O   -3.1040304619  -1.8996017395   1.7302707556
N   -0.0538312052   1.1061941044   0.6664784162
N   -1.6790517460   1.5596102703  -0.9370932245
N   -3.7194554873   0.6011778273  -1.2728474398
N   -2.3274412345  -0.1880210133   0.4483813469
N   -4.4327904908  -1.1706408177   0.1020696705
C    3.0698075824   0.3195535805  -0.0230050492
C    2.3223444526  -0.9886995322  -0.0457536091
C    2.6466340989   1.4932527121   0.6100957335
C    1.6263514166  -1.1694099237  -1.3971023327
C    4.2595253811   0.3912407713  -0.7437195576
C    3.3662098594   2.6805151015   0.5174400996
C    0.8232567341  -2.4370286078  -1.4813401692
C    4.9905238393   1.5638020948  -0.8376473228
C    4.5413653432   2.7155273765  -0.2103260639
C   -0.4773551827   1.9106040183  -0.3562858799
C   -2.6037524645   0.6195409456  -0.5666378282
C   -4.6086551938  -0.3157268415  -0.8955658670
C   -3.2766841201  -1.0610981730   0.7377050550
C   -5.8744195612  -0.3911265705  -1.6672521565
C   -1.9098403113  -1.8219475058   2.5095428932
H    3.0462405083  -1.7909891452   0.1041771915
H    1.6111974263  -1.0728027681   0.7710979073
H    0.9592652339  -0.3314605091  -1.6065162666
H    2.3635357777  -1.1853061317  -2.2018920088
H    4.6225268526  -0.5010139034  -1.2389812298
H    3.0191709556   3.5766281065   1.0102068049
H    5.9127153576   1.5763245599  -1.4025089954
H    5.1007348044   3.6376449142  -0.2817586269
H   -0.6837010137   0.3551725828   0.9795845075
H   -1.9549082473   2.1510772705  -1.7110172521
H   -6.6337329398  -0.9549046067  -1.1329939191
H   -6.2505873419   0.6042475305  -1.8952957352
H   -5.6860883226  -0.8907185404  -2.6198774191
H   -1.8138434715  -0.8509927652   2.9926432926
H   -1.0266310974  -2.0323431712   1.9091856552
H   -2.0073500823  -2.5885861677   3.2718579166
*