! 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   -1.7825078495   0.8318084508   1.3007396344
F    1.3154740811  -1.3138827478  -1.9300655522
F    1.3197732107  -3.0427412846  -0.6530597540
F    0.5593772985  -3.1942163697  -2.6612365295
O   -2.9434001879   1.6541179212   1.0399198340
O   -1.4272929351   0.4557983400   2.6533620521
O   -4.2383127597  -0.7380496942   1.9516460577
O   -5.4424656346  -0.7917903121   0.0595871019
O   -1.2800022941   1.9311469893  -1.3842067447
O    5.4923943668   1.6911440233  -1.5198241464
O    3.4566784395   0.7481831322   2.5428404067
N   -0.7613904048  -1.0217076737  -0.2392649669
N   -0.4243199869   1.5592384775   0.6941122635
N    0.9590483998   1.9989242284  -1.1245673131
N    3.2183356825   1.8391098421  -1.3311903512
N    2.1923120334   1.3575870626   0.7377156693
C   -1.9044950154  -0.6481639563   0.2728260284
C   -3.1176011760  -1.2701769418   0.0061994616
C   -0.7474099982  -2.0366843804  -1.0852258909
C   -3.0950505604  -2.3121981216  -0.9081667383
C   -1.8918563465  -2.7097891207  -1.4693444217
C   -4.4025658856  -0.8932004957   0.6571555234
C    0.6221313300  -2.4006506589  -1.5935597319
C   -0.3171984088   1.8289105505  -0.6551487684
C    2.1741657470   1.7111724199  -0.5355745718
C    4.3996464437   1.5852839917  -0.7840572020
C    3.3834806154   1.1050110567   1.2723686091
C    4.5554820920   1.2064174005   0.5441794663
C   -5.3615177406  -0.2884741595   2.7187084525
C    5.3743227522   2.0622421803  -2.8917910420
C    2.2532082755   0.6359808506   3.3000082979
H   -4.0093830699  -2.8241165067  -1.1740827221
H   -1.8700057234  -3.5205389807  -2.1819423909
H    1.0077956134   2.2412557684  -2.1057402595
H    5.5239133703   1.0078535894   0.9788273919
H   -5.0083513675  -0.2100533583   3.7410267955
H   -5.7040734737   0.6855116394   2.3748301884
H   -6.1792870720  -1.0045854223   2.6705622169
H    4.7890134521   1.3368041539  -3.4556862511
H    6.3898519974   2.0783233592  -3.2772423908
H    4.9324923656   3.0513662894  -3.0062556633
H    1.7175302007   1.5840407616   3.3504282675
H    1.6001721852  -0.1414068176   2.9025767889
H    2.5626426435   0.3542250509   4.3023336355
H    0.4679846622   1.3515129273   1.1723143105
*