! 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 "1-OCTANOL"
end
*xyz 0 1
S    1.0740993433   1.7547483584  -1.2443278296
F    2.0589988857  -3.8988390321  -0.3511284907
F    2.6573077592  -3.7236342120  -2.4114881221
F    0.7851628273  -2.8870324308  -1.7569630088
O    0.9722492086   3.1517274174  -1.6091182946
O    1.0886461258   0.7485298412  -2.2897541371
O    0.0224787613   2.9356830337   1.2667651073
O   -5.6697017313  -0.6680033356   2.1003459415
N   -0.2410121339   1.3241636009  -0.3121865677
N   -1.7903761010   1.5951333161   1.3963803138
N   -2.4141509836  -0.1199249057  -0.0455730798
N   -3.7359045554   0.4871797030   1.7989039377
N   -4.4237998026  -1.2508047458   0.3584788768
C    2.8444832333   0.2920088312   0.3177378382
C    2.1216919527  -1.0033392146   0.0551232512
C    2.4716169480   1.5477926279  -0.1747281304
C    2.7664767032  -1.7673828896  -1.1027883273
C    3.9931883728   0.2424614586   1.1034344581
C    3.2015420977   2.6959247999   0.1126251062
C    2.0689937083  -3.0641181863  -1.4031967614
C    4.7391208159   1.3755791562   1.3837274780
C    4.3426136551   2.6082180866   0.8895797197
C   -0.6166531820   2.0206419656   0.8014850477
C   -2.6679528735   0.6157339489   1.0238930599
C   -3.3271073159  -1.0489504116  -0.3411986501
C   -4.5739315227  -0.4548615795   1.4162038463
C   -3.0666160343  -1.8875260522  -1.5396748856
C   -5.9352149676   0.1360420863   3.2495937379
H    2.1787526093  -1.6009741990   0.9660311337
H    1.0617265383  -0.8484400555  -0.1322370155
H    2.7644230376  -1.1623011115  -2.0096833044
H    3.8094019589  -1.9924819136  -0.8698845520
H    4.3063777561  -0.7127292709   1.5074340683
H    2.8879245010   3.6577319355  -0.2662746115
H    5.6281129486   1.2944703656   1.9950927882
H    4.9120386371   3.5006449605   1.1098249253
H   -0.8715638083   0.5811800880  -0.6536766827
H   -2.0498893909   2.1168209304   2.2243613006
H   -3.8542143915  -2.6208745512  -1.6882303656
H   -2.9921659753  -1.2597616164  -2.4287291186
H   -2.1126664864  -2.4059871832  -1.4354894769
H   -6.0241608570   1.1900460174   2.9877600225
H   -5.1635812779   0.0149551899   4.0093517328
H   -6.8844890270  -0.2191827079   3.6406401452
*