! 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
Cl  -5.0968663998   1.2901115403   0.7844494816
F   -2.0146519212  -1.0097187751  -2.6482726754
F   -0.0437013599  -0.4487449742  -2.0032623571
F   -0.8396348399  -2.3782101689  -1.4833792116
O    2.3306473131   1.1106006031  -0.6261275851
N    2.5304203543  -1.2803495224   0.8299322134
N    0.2670666465  -1.1614246215   0.8629382317
N    4.6614374244  -1.7870940820   1.0801534547
C    1.3543824715  -0.5334317947   0.7419275531
C    1.5181696017   0.9457827006   0.5021633257
C    2.2026560709   2.3654166392  -1.2681942708
C   -0.9731770455  -0.5361474224   0.8117687703
C    2.7483495441   3.5388762557  -0.4725203520
C   -1.7310271041  -0.5092215565  -0.3650310405
C   -1.5228464733  -0.0027601298   1.9748802261
C   -2.9992306726   0.0558517406  -0.3695294410
C    2.6053356765  -2.6582623837   0.8567645747
C    2.7058241954   4.8162174687  -1.2995280001
C    3.8109871564  -0.8160475832   0.9710541689
C   -1.1605669082  -1.0877711224  -1.6240197127
C   -2.7864010949   0.5590610435   1.9741388825
C   -3.5174065768   0.5875072118   0.7981250472
C    3.9212091324  -2.9429895585   1.0053468514
H    1.9413431380   1.4093556122   1.4036985754
H    0.5277096658   1.3915429885   0.3599870275
H    1.1515119682   2.5493504888  -1.5312027383
H    2.7555601230   2.2662781295  -2.2052238317
H    2.1694000322   3.6841216630   0.4446240298
H    3.7774064456   3.3258300849  -0.1690634286
H   -0.9539620689  -0.0384949549   2.8945290979
H   -3.5874410581   0.0882371029  -1.2757659654
H    1.7361100088  -3.2844790099   0.7610288078
H    3.3151641785   4.7275394767  -2.2017305007
H    1.6875363993   5.0591141918  -1.6118876130
H    3.0838608633   5.6663451842  -0.7307939711
H    4.0558966033   0.2329517052   0.9922006760
H   -3.1908979233   0.9704825037   2.8889949817
H    4.3816129285  -3.9170469890   1.0597117219
*