! 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   -2.4938229629  -0.3685281695   1.5021481990
F    0.1926974439   2.9718272712   1.6999461055
F    0.3987795611   4.4081989313   0.0978888929
F    6.7256946244  -1.5832898122  -1.3867795382
F    5.8954769228  -2.0950382097   0.5431169602
O   -2.7431280202   1.0524296655   1.3569476415
O   -2.8846448967  -1.0517500378   2.7141388804
O   -3.4048571849   1.5196703003  -2.0342555786
O   -1.4092959776   0.8203668497  -1.3114054632
O   -0.7775844163  -2.7804586161   1.3892547659
O    1.8718244589   2.8400382022   0.2376862761
O    5.2147713495  -0.2859338346  -0.5582755421
N   -0.8465923961  -0.5142883561   1.3027122258
N    1.1110650778  -1.6796304718   0.8389637422
N    1.4549054708   0.6061000151   0.5404856465
N    3.1555227879  -0.9751216500   0.1521049413
C   -3.2143853231  -1.2227778878   0.1240116814
C   -3.2906401790  -0.6226886448  -1.1356725970
C   -3.8012356951  -2.4543191300   0.3654466363
C   -3.9716721992  -1.2855069766  -2.1474419062
C   -4.4565662410  -3.1133424719  -0.6643615951
C   -4.5428222638  -2.5292270557  -1.9159377758
C   -2.5909413861   0.6513397312  -1.4759793886
C   -0.2205089909  -1.7238928757   1.1963079442
C    1.9249525242  -0.6309147854   0.4972054303
C    2.2941358569   1.5704029950   0.2032647556
C    3.9632303194   0.0073736401  -0.1847471938
C    3.5998737680   1.3443365469  -0.1825810211
C   -2.8420207654   2.7569626628  -2.4824461166
C    0.5314787478   3.1135803248   0.4060545229
C    5.5941042571  -1.6066738630  -0.6723463801
H   -3.7626435216  -2.9026807105   1.3475439504
H   -0.3238393222   0.3280982214   1.0522157788
H   -4.0430391344  -0.8410897562  -3.1312066773
H   -4.9054218387  -4.0790321080  -0.4775785344
H   -5.0594445213  -3.0365307338  -2.7194647071
H    1.5486749446  -2.5907429562   0.7852062587
H    4.2747855558   2.1384536198  -0.4655977595
H   -3.6595563747   3.3049413693  -2.9410867307
H   -2.0554169476   2.5940473930  -3.2185238181
H   -2.4481019015   3.3347623366  -1.6464856492
H   -0.1224962337   2.5100681036  -0.2234686583
H    4.8546053084  -2.2431451816  -1.1563518955
*