! 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   -1.9718457063   1.3724702484   0.5236978296
F    1.6707955562  -1.4587450249  -1.4141123878
F    1.4647506250  -2.6289175334   0.3767516745
F    1.0772988522  -3.5260729117  -1.5423353781
O   -2.0353854803   2.3113192165  -0.5768910701
O   -2.9589192255   1.4074278687   1.5791345411
O   -4.5665284619   0.6040738753  -0.7003118288
O   -5.2983113924  -1.2177809802   0.3826606297
O   -0.6606418815   0.0000374516   2.8029454403
O    2.5794438015   2.8535791320  -1.7355501250
O    5.5259914134  -0.1928554827   0.1560938595
N   -0.6834977890  -0.7507380848  -0.3104991020
N   -0.4486427934   1.5582516372   1.1513469799
N    1.4061553978   0.4378242265   2.0116366397
N    1.9787887210   1.6814338758   0.1338221795
N    3.4711010143   0.1335559338   1.1028315683
C   -1.9022952364  -0.3163963955  -0.1229805025
C   -3.0392137216  -1.0884423089  -0.3272407986
C   -0.5033006982  -1.9975050012  -0.7074957488
C   -2.8375477904  -2.4039007785  -0.7178100743
C   -1.5498938346  -2.8749636068  -0.9184109009
C   -4.4293684593  -0.5836970940  -0.1569837100
C    0.9404646108  -2.4080561185  -0.8324668940
C    0.0470165427   0.6166779746   2.0373485421
C    2.3182281786   0.7676334783   1.0257763693
C    2.8740847115   1.9582938661  -0.8091836304
C    4.3551181917   0.4209000750   0.1572620651
C    4.1134323587   1.3447075389  -0.8523090471
C   -5.8258191017   1.2693408590  -0.5424970262
C    1.2940494884   3.4714447850  -1.7162004615
C    5.7860338227  -1.1902839065   1.1414433942
H   -3.6819996586  -3.0596305391  -0.8779615157
H   -1.3885965877  -3.8988137297  -1.2211866484
H    1.7371840227  -0.2510829492   2.6746468651
H    4.8410330400   1.5673268351  -1.6186804085
H   -6.0359792244   1.4595071993   0.5091114291
H   -5.7302514532   2.2122393335  -1.0711107419
H   -6.6343331458   0.6868041686  -0.9807730242
H    1.1189717402   4.0148354934  -0.7878021517
H    0.4977478436   2.7444860248  -1.8771347886
H    1.2951961851   4.1767846929  -2.5421993138
H    5.0682753179  -2.0079262354   1.0843112948
H    6.7786227711  -1.5702681662   0.9171019227
H    5.7805450579  -0.7746963493   2.1483220252
H    0.2556147085   1.9326188220   0.4917917263
*