! 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    2.1053793545  -1.6512619357   0.0177913630
F   -0.0601130528   0.6924991339   2.9460188452
F   -0.1789321455   1.4836760772   0.9415838310
F    0.8037529517   2.6010414142   2.4833871100
O    1.7363633195   0.7048942624   1.7650586190
O    2.4760864986  -2.0837023438   1.3485746292
O    2.4536527413  -2.4713367456  -1.1214092270
O   -4.6657304841   0.3463080525  -1.5607323628
O    0.2346184137  -0.6285984305  -2.0065397510
O   -1.8584388214  -1.4978516655   1.5209836880
N    0.4466892544  -1.4751171319   0.0901222545
N   -1.6138397844  -0.7961450808  -0.6974614377
N   -3.5550878669  -0.5947416038   0.2131931448
N   -2.4187316997  -0.2309201414  -1.6612531789
C    2.6963133035  -0.0128176856  -0.2819789720
C    2.4650491049   1.0122307589   0.6327173878
C   -0.2614057525  -0.9488665751  -0.9567294291
C    3.4543446454   0.2211838646  -1.4192089830
C   -2.2922341506  -1.0241039538   0.4875072466
C   -3.5562640137  -0.1331409213  -1.0729439056
C    2.9940042706   2.2695531716   0.4159552246
C    3.9755235494   1.4847654635  -1.6433087914
C    3.7460790145   2.4990228152  -0.7285141531
C   -4.6741400617  -0.6063615816   1.1315380783
C    0.5921205398   1.3722554146   2.0238167898
C   -4.6120345559   0.8699879734  -2.8941301886
H   -0.0201964318  -1.7335772777   0.9622310530
H    3.6357267737  -0.5692660664  -2.1327934824
H    2.8495981710   3.0687218092   1.1285245781
H    4.5647075160   1.6692884232  -2.5299595295
H    4.1572616770   3.4845298111  -0.8962959975
H   -4.9978182687   0.4074583750   1.3528764996
H   -4.3577681926  -1.0819530696   2.0543940715
H   -5.5012574683  -1.1741986872   0.7139371865
H   -4.3493411232   0.0903951300  -3.6082770776
H   -3.8967714112   1.6890790518  -2.9599869010
H   -5.6096543074   1.2391928068  -3.1077797578
*