! 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    0.9017446229   0.9007686469  -1.4327950032
F    2.0173342261  -3.0879116529  -1.6750625560
F    3.9162257846  -3.8750279637  -1.0498333094
F    3.7214758555  -1.7827201235  -1.5142853366
O    0.8416099926   2.1003813240  -2.2446181954
O    0.8596479122  -0.3885712718  -2.0953870798
O   -0.0330194290   2.8939850810   0.5316090230
O   -6.2410168681   0.5825755876   1.9435226001
N   -0.4196160982   0.8641708421  -0.4077883281
N   -1.9823577308   1.8613722745   0.9992234422
N   -2.8153207208  -0.1300955438   0.1255094715
N   -4.1123441384   1.2610323583   1.5099778980
N   -5.0241738254  -0.7311223616   0.6330308175
C    2.6578489747  -0.0037323858   0.5308386244
C    1.9104109098  -1.2986972244   0.7462190417
C    2.3030806471   1.0198937774  -0.3534256101
C    2.7559032993  -2.5516438258   0.5095764099
C    3.7904420541   0.2166623893   1.3140137615
C    3.0465261955   2.1929135887  -0.4586589742
C    3.0970186689  -2.8157441749  -0.9296064910
C    4.5445834769   1.3723377322   1.2120473858
C    4.1757238984   2.3662926420   0.3180028110
C   -0.7560494630   1.9351037485   0.3709153308
C   -2.9973212870   0.9531003560   0.8626957675
C   -3.8689232012  -0.9472875328   0.0357509807
C   -5.0847097802   0.3847017936   1.3569564982
C   -3.7034004682  -2.1821281029  -0.7710586681
C   -6.4324002680   1.7649966273   2.7215072400
H    1.6025864528  -1.3253900865   1.7931492081
H    0.9912969568  -1.3654294677   0.1722843165
H    3.6888422434  -2.5015256032   1.0734315162
H    2.2139645655  -3.4202473441   0.8873564978
H    4.0885130438  -0.5402307223   2.0290236572
H    2.7495121740   2.9730933460  -1.1435083844
H    5.4194757029   1.4973877060   1.8357960950
H    4.7540814296   3.2753542148   0.2301429613
H   -1.1111388739   0.1088066759  -0.5160140109
H   -2.1968890901   2.6639894707   1.5772252311
H   -3.1470507521  -2.9211469494  -0.1900128931
H   -4.6652168258  -2.6137374375  -1.0345337739
H   -3.1311978640  -1.9846284161  -1.6756489413
H   -7.4569572510   1.7162949270   3.0782853760
H   -6.3031453658   2.6631299372   2.1190555609
H   -5.7542717936   1.7966731912   3.5730228532
*