! 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   -2.6783019650  -0.3574600240  -1.7030474802
F    2.2532138133   4.0707349366   1.6285510912
F    2.7932036081   4.3620720905  -0.4463138840
F    6.8148271023  -1.0486392874   0.5488521324
F    5.1272277141  -1.9805353686   1.5254178694
O   -2.8311771152  -0.8328021932  -3.0617527639
O   -3.0601214577   1.0045652699  -1.3755387032
O   -2.2215806305   0.3793967457   1.3616741276
O   -4.3357506122   0.9919789221   1.7614083227
O   -0.8328064119  -2.6578977842  -1.7122361065
O    1.1962915894   2.8787256405   0.0571217272
O    4.9518584267   0.0386319620   0.6049136434
N   -1.0737542861  -0.4452664960  -1.2734336587
N    0.9442515727  -1.5383003520  -0.8945595739
N    1.1292386123   0.7191893635  -0.3822398139
N    2.9416616383  -0.7641610314  -0.1338620504
C   -3.5381713269  -1.4661641403  -0.6215503433
C   -3.9089099651  -1.0701482574   0.6655073577
C   -3.9418265879  -2.6874741082  -1.1387448080
C   -4.6982044706  -1.9255531514   1.4213331326
C   -4.7058490045  -3.5408534598  -0.3577977197
C   -5.0834185143  -3.1599578760   0.9185336089
C   -3.5271230670   0.2269197743   1.3003429231
C   -0.3619173880  -1.6096971255  -1.3250803667
C    1.6879127097  -0.4728965688  -0.4541615418
C    1.8897499630   1.7230240240   0.0304392905
C    3.6716625602   0.2491109025   0.2686084479
C    3.2140499713   1.5578025315   0.3786287277
C   -1.7217343649   1.5940059568   1.9308089388
C    1.7641398088   4.0891590981   0.3752771615
C    5.4917435055  -1.2284206304   0.4729345833
H   -3.6792980969  -2.9786146483  -2.1446990491
H   -0.6200025036   0.3948690244  -0.8960377764
H   -5.0046215442  -1.6332545400   2.4165418790
H   -5.0131494650  -4.4963075941  -0.7586512810
H   -5.6876768901  -3.8188876599   1.5263038741
H    1.4371472444  -2.4210808619  -0.9347310598
H    3.8760697925   2.3385547422   0.7159251827
H   -0.6423202757   1.4890189058   1.9526758624
H   -2.0859220945   1.7337029222   2.9473580588
H   -1.9960418946   2.4536042416   1.3204475159
H    0.9938264774   4.8497871708   0.2819348425
H    5.2296211369  -1.7315078740  -0.4554101288
*