! 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    1.0570751978   0.9900323607  -1.5783403591
F    2.8669182772  -4.2988774901   0.3447514707
F    0.9224183083  -3.3891279152   0.4956683469
F    2.2449052452  -3.3825510447   2.1898573740
O    0.9869505947   1.9962789257  -2.6180759581
O    1.0989281900  -0.4122938997  -1.9535728336
O   -0.1022811193   3.2699984148  -0.0416397386
O   -3.4714827558  -1.9819999876  -0.7848761289
N   -0.3054169117   1.0823731137  -0.6163993413
N   -2.0601313866   2.2287776787   0.3903269786
N   -4.1948990813   1.5570290712   0.8243120308
N   -2.6964100129   0.0770831082  -0.2146658703
N   -4.9056300547  -0.5980457180   0.2037453188
C    2.7692080625   0.5491248154   0.5626607337
C    2.0725097046  -0.7252027837   0.9635912656
C    2.4066339805   1.3813803064  -0.5019387435
C    2.7985381688  -1.9453453229   0.3919189720
C    3.8864698705   0.9293429821   1.3025344065
C    3.1164655769   2.5385457942  -0.8051121733
C    2.2094184804  -3.2477707136   0.8546600449
C    4.6122710655   2.0698157143   1.0016600116
C    4.2264714529   2.8802931296  -0.0544425203
C   -0.7678268750   2.2625497468  -0.0986888525
C   -3.0104291424   1.2462399766   0.3286311211
C   -5.1130926271   0.5960876489   0.7371840326
C   -3.6812907575  -0.8037585507  -0.2556353944
C   -6.4634742062   0.9014470873   1.2781159373
C   -2.1790194224  -2.2857169381  -1.3131730736
H    2.0780789081  -0.7693986708   2.0537550613
H    1.0257157536  -0.7303795188   0.6696905233
H    2.7749470902  -1.9263861657  -0.6981280451
H    3.8492524573  -1.9317617600   0.6897579781
H    4.1911707042   0.3112198880   2.1386131043
H    2.8118491436   3.1741278912  -1.6238326813
H    5.4776322390   2.3267342972   1.5982018949
H    4.7805441903   3.7774105164  -0.2939578526
H   -0.9733389130   0.3015935144  -0.6814745499
H   -2.3694224854   3.0964357343   0.8109609503
H   -6.3978714856   1.1376900032   2.3410638058
H   -6.8768224157   1.7807317996   0.7825925697
H   -7.1434383918   0.0647991525   1.1425830155
H   -1.4202664999  -2.2796422935  -0.5311754308
H   -1.9004980391  -1.5994470513  -2.1128738411
H   -2.2582028179  -3.2897353424  -1.7200876780
*