! 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   -1.3347392700   1.0639253847  -0.2174172680
F   -3.7392928650   0.5340466626   2.2795259159
F   -4.3750949620   1.5532129191   0.4785255394
F   -5.5627088911  -0.0206807048   1.3107909294
O   -1.7004816424   1.8180567422   0.9589924192
O   -1.3097806215   1.7171603532  -1.5112391246
O   -0.3406246250  -0.7714339994   1.8082199625
O    3.6791187877   1.6771301441  -2.3204057975
O    6.3142033390  -0.9706830847   0.4359203412
N    0.1868264312   0.4435729031  -0.0277076753
N   -1.7563716837  -1.2916068542  -1.1716933583
N    1.8072356195  -0.7740080448   1.1031583613
N    2.7210332046   0.4463988785  -0.6497274603
N    4.0543972653  -0.8862288439   0.7691623004
C   -2.3389131550  -0.4321922182  -0.3674722987
C   -3.5745790472  -0.6414201972   0.2383597406
C   -4.1759619751  -1.8724743719  -0.0040335911
C   -4.3041639861   0.3660780465   1.0856895307
C   -3.5533981015  -2.7960791780  -0.8213164768
C    0.4950853811  -0.3841651117   1.0164537719
C   -2.3453830161  -2.4553350829  -1.4019476432
C    2.9048576929  -0.3798833304   0.3656256895
C    3.8075233623   0.8326647456  -1.3114602763
C    5.1271093518  -0.5032217579   0.0899844183
C    5.0730427796   0.3825745716  -0.9798805897
C    2.3798452499   2.1611544776  -2.6556813279
C    6.4082109710  -1.8909548199   1.5211162780
H    0.9380697578   0.7009632389  -0.6848002343
H   -5.1298200871  -2.1193912503   0.4385566038
H   -4.0047452621  -3.7581616774  -1.0132269107
H   -1.8331037599  -3.1353215500  -2.0691842032
H    2.0056609640  -1.4040373733   1.8691897441
H    5.9564761477   0.6969850988  -1.5156898895
H    1.9198112211   2.6935111479  -1.8227793255
H    2.5285696965   2.8571207844  -3.4763717041
H    1.7257925427   1.3561657770  -2.9922813357
H    7.4654677079  -2.1207264196   1.6182437828
H    5.8597041481  -2.8100346776   1.3174728414
H    6.0498673616  -1.4552131752   2.4530360774
*