! 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   -1.8462844571   1.5797584963  -0.2277632484
F    1.0830106944  -2.5996890874  -1.7219383063
F    1.5772767560  -1.9726034534   0.2736513081
F    0.7664617703  -3.9392669843  -0.0665625626
O   -1.7645175582   2.0519499121  -1.5942182249
O   -2.8595249576   2.0885826329   0.6689920577
O   -5.2460365665  -0.6266957697   0.8370546990
O   -4.7348636064   0.5632661208  -0.9933102592
O   -0.8196850047   0.9410610674   2.4432413667
O    5.8269093215   0.6699593930   1.1733361688
O    3.1000362889   2.1328250867  -2.2865182886
N   -0.7650910914  -0.7926842526  -0.3385369476
N   -0.3391675844   1.8442386828   0.4086019209
N    1.3477319162   1.1738228183   1.8668250503
N    3.5815034942   0.9169158606   1.5270128345
N    2.2069197817   1.6793830320  -0.2319519026
C   -1.9353039840  -0.2208344140  -0.2310239371
C   -3.1304605782  -0.9100646271  -0.0807772798
C   -0.6953608884  -2.1103376617  -0.2823349480
C   -3.0426370103  -2.2925849934   0.0017718958
C   -1.8062988941  -2.9116741303  -0.0979018503
C   -4.4539323945  -0.2279157851  -0.1295861582
C    0.6946799707  -2.6647790318  -0.4458454539
C    0.0040251418   1.2895620430   1.6249181895
C    2.4212376094   1.2616934814   1.0029719417
C    4.6298291944   0.9963819761   0.7183247393
C    3.2644660454   1.7396085172  -1.0354212674
C    4.5368523874   1.4058021401  -0.6066892171
C   -6.5794125920  -0.0979687735   0.8598446499
C    5.9626056303   0.2365134404   2.5252985768
C    1.7856062115   2.4438798995  -2.7450200079
H   -3.9324633195  -2.8928883813   0.1296369208
H   -1.7347842006  -3.9871639773  -0.0335821243
H    1.5703094776   0.8160874723   2.7867344292
H    5.3974105972   1.4597198799  -1.2568809339
H   -6.5694417496   0.9862136634   0.9585202956
H   -7.1268697232  -0.3828360820  -0.0370957188
H   -7.0545122959  -0.5366074560   1.7309976285
H    5.6618037945   1.0115122046   3.2293660927
H    7.0196072905   0.0244551099   2.6587311947
H    5.3890794449  -0.6693932431   2.7180020386
H    1.1253210886   1.5778768523  -2.6890290573
H    1.3527948048   3.2790649520  -2.1942713704
H    1.8983050994   2.7303579004  -3.7865976487
H    0.4394415684   1.9459425054  -0.2630635586
*