! 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   -1.6004253268  -2.2800144370   0.8797465511
F    2.6447364628   4.8654119356   3.0715407802
F    3.2527617963   6.2044482867   1.4888338291
F    3.2989918978  -1.7267748314  -2.3265558433
F    2.3601834114  -2.1215955929  -0.4226362844
O   -2.0306354383  -2.7324741531   2.1845754394
O   -0.7961626710  -3.1512139089   0.0439616293
O   -1.6606729820  -2.6290192601  -3.0930076667
O   -0.7679443265  -0.8935747668  -1.9993835774
O   -2.2016084390   0.2451485667   2.2566827824
O    3.2608854072   4.0857115542   1.0779253539
O    3.2808130077  -0.1340262915  -0.8683055867
N   -0.6640189942  -0.9122653748   1.0591930842
N   -0.2927116557   1.2986054700   1.6938992966
N    1.4811824984   2.6794746821   1.3887049837
N    1.4855218933   0.5436567337   0.3918655216
C   -3.0233521710  -1.7688025614  -0.0413441321
C   -2.9500279913  -1.6313188152  -1.4284495664
C   -4.2251934409  -1.6209421244   0.6320500492
C   -4.1101935690  -1.3418207386  -2.1314595626
C   -5.3709692739  -1.3069061867  -0.0835956875
C   -5.3130457083  -1.1699150095  -1.4600528096
C   -1.6620078189  -1.6818462645  -2.1818511951
C   -1.1237391027   0.2020998115   1.7028104438
C    0.9402716589   1.5000762596   1.1265441454
C    2.6645037157   2.9046432355   0.8588871592
C    2.6773164554   0.8031417973  -0.1205798040
C    3.3492479472   1.9911760858   0.0744743665
C   -0.4993226815  -2.7377023687  -3.9259923874
C    2.5729555365   5.0813824555   1.7468842978
C    2.5368336092  -1.1834826483  -1.3723489116
H   -4.2823538684  -1.7542028615   1.7020245502
H    0.2102011614  -0.8546885680   0.5312076788
H   -4.0768479191  -1.2315528582  -3.2068994613
H   -6.3079431560  -1.1811314814   0.4400743486
H   -6.2068269837  -0.9340768235  -2.0207410904
H   -0.6554204970   2.0866313636   2.2149483661
H    4.3172729449   2.1958619595  -0.3573213547
H   -0.3439478434  -1.8301762983  -4.5074474332
H   -0.6930451781  -3.5696169297  -4.5952259605
H    0.3898729503  -2.9529635835  -3.3335673876
H    1.5342750083   5.1887555240   1.4404171632
H    1.5745745478  -0.8799063121  -1.7822381952
*