! 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   -1.8563182114   1.5621170797  -0.2266132512
F    1.0220257379  -2.5899743561  -1.9239574411
F    1.5892384530  -1.9944859048   0.0619525980
F    0.7642594553  -3.9545848097  -0.2789025696
O   -1.7706968656   2.0692069431  -1.5799951732
O   -2.8753131997   2.0449342009   0.6780809691
O   -5.1927670891  -0.6262445160   0.9150325570
O   -4.7853682706   0.5256233361  -0.9651245535
O   -0.8490730502   0.8642785812   2.4346140893
O    5.7989838520   0.5653347126   1.1767042102
O    3.1133249937   2.2359888185  -2.2214203068
N   -0.7739504761  -0.8037448684  -0.4306655645
N   -0.3532152199   1.8126932367   0.4240537349
N    1.3212704759   1.0729202495   1.8632683091
N    3.5532382012   0.8117016142   1.5237002869
N    2.1976674075   1.6738389529  -0.2037536531
C   -1.9421577149  -0.2372228506  -0.2768260830
C   -3.1322964783  -0.9312446079  -0.1142615518
C   -0.7031137462  -2.1222935199  -0.4153814032
C   -3.0425153676  -2.3155819116  -0.0742915073
C   -1.8093889612  -2.9297535202  -0.2268234344
C   -4.4568580504  -0.2480441887  -0.1027531203
C    0.6802427159  -2.6741956526  -0.6354633901
C   -0.0192670867   1.2211652537   1.6262219670
C    2.3999779331   1.1924112675   1.0098935487
C    4.6090554050   0.9265965503   0.7292664850
C    3.2634572468   1.7737050987  -0.9925504235
C    4.5305672004   1.4112945487  -0.5709142622
C   -6.5156882964  -0.0798235197   1.0124138055
C    5.9118024891   0.0346298119   2.4958049242
C    1.8070135229   2.5897995388  -2.6721506393
H   -3.9286984638  -2.9198562902   0.0600752255
H   -1.7360961861  -4.0066351362  -0.1985497057
H    1.5377774867   0.6820689947   2.7709937124
H    5.3970904060   1.4967407812  -1.2096932960
H   -7.1235779087  -0.3737837696   0.1583804342
H   -6.9389802955  -0.4947005852   1.9211637086
H   -6.4849948892   1.0059208490   1.0880654402
H    6.9660550467  -0.1892938418   2.6311889545
H    5.3336493208  -0.8815084735   2.6110383717
H    5.5995429755   0.7562005038   3.2497485434
H    1.1419560542   1.7257578750  -2.6928036386
H    1.3702304058   3.3822458687  -2.0643681308
H    1.9360684140   2.9562300245  -3.6864692026
H    0.4298881356   1.9282202698  -0.2403483348
*