! 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   -1.8593849803   1.5207174937  -0.2668323544
F    0.8810461848  -3.7313747468   0.3888883979
F    0.8024432741  -3.3464838608  -1.7249050300
F    1.6491104870  -1.8797236771  -0.3961278478
O   -1.7583619786   2.0067520638  -1.6271574504
O   -2.9031331619   2.0044507065   0.6094838567
O   -5.1578130932  -0.6054003910   0.9249273056
O   -4.7971827670   0.4353556073  -1.0293123240
O   -0.8671325086   0.8253923309   2.3993798269
O    5.7553709284   0.4134835754   1.0560287645
O    3.0915201593   2.3528996165  -2.2132088171
N   -0.7534113895  -0.8470206028  -0.4030852656
N   -0.3712410863   1.8006041535   0.4030588075
N    1.3043645013   1.0337799233   1.8262484898
N    3.5241848710   0.7209680589   1.4473834919
N    2.1772842661   1.7083276527  -0.2191038349
C   -1.9284790565  -0.2788835754  -0.2818284897
C   -3.1204724959  -0.9671054615  -0.1268436314
C   -0.6883915140  -2.1628741718  -0.3619497944
C   -3.0363429635  -2.3526852403  -0.0659599815
C   -1.8029460127  -2.9668206944  -0.1850951721
C   -4.4467717973  -0.2844887516  -0.1298334961
C    0.6789536192  -2.7762399930  -0.5223856085
C   -0.0360706011   1.1935532734   1.5967481875
C    2.3778505729   1.1607868113   0.9665109328
C    4.5737742572   0.8393981905   0.6451145637
C    3.2380617073   1.8179284344  -1.0139266401
C    4.4968937961   1.3929596893  -0.6273695328
C   -6.4780378539  -0.0523396822   1.0254448016
C    5.8667352667  -0.1877219110   2.3447396079
C    1.7907724225   2.7600032848  -2.6343631285
H   -3.9265536672  -2.9521849671   0.0630321439
H   -1.7271537322  -4.0436347924  -0.1353744170
H    1.5217368835   0.6108741545   2.7193654130
H    5.3589097646   1.4830834055  -1.2716412459
H   -6.8745230450  -0.4085748873   1.9701590379
H   -6.4467757993   1.0359030877   1.0318989696
H   -7.1092672045  -0.3990840233   0.2094135811
H    5.5987387201   0.5077720493   3.1391107983
H    6.9122536122  -0.4630992821   2.4490244293
H    5.2513660347  -1.0830812217   2.4251318067
H    1.1065897304   1.9132591495  -2.6944514236
H    1.3761055144   3.5289763185  -1.9825148810
H    1.9212264810   3.1755687426  -3.6292328791
H    0.4148651341   1.9518730122  -0.2509842243
*