! 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    0.6882049971   0.7270492952  -1.4030669187
F    3.1759146277  -3.3249806106  -1.8176128685
F    3.4984293023  -4.0767862532   0.1731436722
F    5.1069062574  -3.1227004206  -0.8940626112
O    0.3041594540   1.7288632650  -2.3796174922
O    0.9400673874  -0.6284702633  -1.8422720386
O    0.3515929902  -0.6900293652   1.1701696727
O   -6.3374856541  -0.2052884723   2.0417827393
N   -0.5935837949   0.7281111591  -0.3272905527
N   -1.8442729870  -0.2384010726   1.3848472855
N   -3.2030798144   1.0662333707   0.0190551412
N   -4.0831128250  -0.2389024266   1.7644505146
N   -5.5146680848   1.0453963417   0.4008875674
C    3.2914663344   0.7515520431  -0.3444361830
C    3.7113248688  -0.5523767605  -0.9742986493
C    2.0370633655   1.3625584237  -0.4386238396
C    3.3683183676  -1.7381004365  -0.0707456636
C    4.2489476335   1.4182295694   0.4229566903
C    1.7736283873   2.5939635625   0.1599292614
C    3.7863365666  -3.0580089792  -0.6523264124
C    3.9916556901   2.6264707862   1.0444227172
C    2.7470456625   3.2246125912   0.9088021380
C   -0.6228429189  -0.1034615185   0.7558592833
C   -3.0810967690   0.2234028280   1.0312040655
C   -4.4501630036   1.4531777539  -0.2602789349
C   -5.2706592755   0.2012102284   1.4001088565
C   -4.6272006237   2.4250197004  -1.3700818160
C   -6.1831849272  -1.1389848649   3.1106891790
H    3.2771866169  -0.6769312496  -1.9620538645
H    4.7912896674  -0.5058175994  -1.1165009067
H    3.8639720311  -1.6245386743   0.8963498459
H    2.2978649010  -1.7775012681   0.1241429416
H    5.2306374442   0.9710876214   0.5215398528
H    0.8030175773   3.0626929703   0.0561371697
H    4.7673985705   3.1058467449   1.6269379134
H    2.5352856834   4.1760113522   1.3767970613
H   -1.4719309501   1.1831416729  -0.6155440512
H   -1.8303093289  -0.8616249294   2.1824387492
H   -4.3926259223   3.4299355878  -1.0117295304
H   -3.9478753337   2.2085500845  -2.1927810004
H   -5.6521809059   2.4265631516  -1.7311776822
H   -5.7297187004  -2.0682938393   2.7666417675
H   -7.1883483497  -1.3406302453   3.4700969649
H   -5.5860193303  -0.7236404502   3.9220124253
*