! 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   -1.8328316186   1.2029235118   1.1792334386
F   -1.7403023813  -0.5981013717  -3.0737096684
F   -1.0365314246   0.9441695323  -1.7688123107
F   -0.4908901228  -1.1105839107  -1.4094361052
O   -2.2331293108   1.2127337741   2.5666506784
O   -1.7492591980   2.4573291303   0.4584481695
O   -0.9326250675  -1.4542394577   1.9863613790
O    5.5519715641  -1.4742344657  -0.0418873293
O    3.1565879121   2.4375101313  -0.7486951745
N   -0.3361720172   0.5118252158   1.0278164236
N   -4.0335153956  -0.1263629369   1.0102200425
N    1.2075201323  -1.1983198434   1.3114105379
N    3.3716216358  -1.3439099336   0.6324834030
N    2.1598867228   0.6476096103   0.2674430026
C   -2.9412252884   0.0630830408   0.3099775849
C   -2.7160920140  -0.5021795776  -0.9463397583
C   -3.7056951458  -1.3535117900  -1.4246012531
C   -1.4908925897  -0.3081074187  -1.7978584645
C   -4.8493220842  -1.5728546805  -0.6801704382
C   -0.0777804967  -0.7561190927   1.4806980293
C   -4.9794536413  -0.9217894738   0.5309073009
C    2.2891027670  -0.5935439380   0.7034814049
C    4.4314540832  -0.7818535985   0.0673098187
C    3.2313799909   1.1977608626  -0.2966284383
C    4.4288928714   0.5174082919  -0.4262213900
C    5.5875899667  -2.8174869707   0.4362641361
C    1.9203647096   3.1401737769  -0.6423908438
H    0.4391408579   1.0374644772   0.5942110945
H   -3.5956083983  -1.8499130863  -2.3778238451
H   -5.6255444531  -2.2321485623  -1.0388148352
H   -5.8639394034  -1.0449280808   1.1410585082
H    1.3671891800  -2.1447824643   1.6312172867
H    5.2993411688   0.9640213094  -0.8835323492
H    4.8698950042  -3.4495139535  -0.0854052012
H    6.5928569398  -3.1737756884   0.2301248890
H    5.4025306838  -2.8689279987   1.5085295623
H    1.1352500286   2.6594345458  -1.2260989323
H    2.1066832505   4.1273440410  -1.0551977321
H    1.6033559738   3.2474870494   0.3950493838
*