! 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    1.0956664140   2.4336162063  -0.8845110261
F    1.7323573841  -3.4492953420  -1.4792223902
F   -0.0900508984  -2.3084325473  -1.4438792005
F    0.4537442192  -3.5172353758   0.2518893575
O    0.9328537200   3.8143660256  -0.4780575492
O    0.9522730754   2.1036097550  -2.2921917411
O    0.4631144890   2.1380153714   1.9735827780
O   -5.0021125162  -1.8828292908   1.7527490220
N   -0.0637012814   1.4935981451  -0.1386826026
N   -1.3028557334   0.7618007534   1.6877197829
N   -2.1925822445  -0.0405219209  -0.3073824465
N   -3.1481431165  -0.5625111499   1.7772270380
N   -4.0956380622  -1.4047203315  -0.2147428839
C    3.0565842657   0.5100598774  -0.4713918867
C    2.2555298439  -0.5808473364  -1.1345749420
C    2.6335529325   1.8254325853  -0.2510500517
C    1.6904887426  -1.5399894796  -0.0835645378
C    4.3173978097   0.1689349701   0.0127221224
C    3.4229191963   2.7477448020   0.4291225774
C    0.9495210939  -2.7001163263  -0.6879980344
C    5.1167626833   1.0778632744   0.6853626647
C    4.6680688687   2.3721218610   0.8992540526
C   -0.2500026422   1.5182306408   1.2153493685
C   -2.2411249761   0.0286503868   1.0121029977
C   -3.1499045912  -0.7757021650  -0.8830107128
C   -4.0462273617  -1.2588760452   1.1092273515
C   -3.1366475733  -0.8607695765  -2.3650382849
C   -5.0607520904  -1.7874972509   3.1775962577
H    1.4616365304  -0.1900834207  -1.7645959877
H    2.9276231532  -1.1235156364  -1.8013738638
H    2.4941606365  -1.9445952471   0.5353493522
H    1.0128935668  -1.0186380992   0.5947387307
H    4.6796787329  -0.8389546153  -0.1492901286
H    3.0764682349   3.7572970151   0.5937100924
H    6.0913502215   0.7730127584   1.0418443093
H    5.2809941395   3.0896101450   1.4265568453
H   -0.7399679405   0.9631993583  -0.7113016969
H   -1.4048395539   0.7781952258   2.6948514079
H   -3.2381916953   0.1375848524  -2.7946241370
H   -2.1850585862  -1.2607242274  -2.7169983862
H   -3.9433098062  -1.4881644550  -2.7333707097
H   -5.1927813271  -0.7561039600   3.5017299416
H   -4.1686339075  -2.2054559985   3.6418727854
H   -5.9274779200  -2.3711654264   3.4728643909
*