! 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  -0.7994271982  -0.8070634080   2.3491203241
Cl   2.0155033058  -4.2032192106  -0.6345483609
O   -1.8601095344   1.2011973598   0.4463637505
O   -0.5883222709   1.8388474166  -1.2964637275
N    1.6517417855   2.1929000615   0.5571002725
N    2.0775870033   3.0373306409  -0.3841909030
N    3.7655952180   1.7554240127   0.3388241930
C   -0.5487806928   1.2424830398  -0.0319770836
C   -2.7517811221   1.4263195210  -0.6438203119
C   -1.9026896165   2.3145429823  -1.5366189809
C   -3.1967421403   0.1335304713  -1.3109999842
C    0.2658653044   2.1183702686   0.9382123798
C    0.0691253256  -0.1474598100  -0.1645692193
C   -3.8439172340  -0.8759124218  -0.3686846148
C    0.0061909390  -1.1071656033   0.8441111178
C    0.7783244760  -0.4834807038  -1.3147704671
C   -5.1390290925  -0.3880480137   0.2650845424
C    0.5960973993  -2.3555242274   0.7074795304
C    1.3829971950  -1.7180313228  -1.4751142006
C    2.6670487335   1.4307694047   0.9742013293
C    1.2801016884  -2.6498410666  -0.4579263535
C    3.3478112014   2.7415533565  -0.4796759372
H   -3.6115717937   1.9695356775  -0.2468478847
H   -2.1259119338   2.2114866493  -2.5992091811
H   -1.9933297004   3.3711065832  -1.2633321518
H   -2.3471471514  -0.3331606681  -1.8193094103
H   -3.9081739405   0.4038620979  -2.0983874803
H    0.2109744229   1.7238301583   1.9515244595
H   -0.1471606545   3.1271492887   0.9534124747
H   -3.1351277477  -1.1595183546   0.4126735442
H   -4.0457174342  -1.7881611123  -0.9356702232
H    0.8648968595   0.2347810756  -2.1170819025
H   -4.9812213732   0.4618482711   0.9314913075
H   -5.8621096254  -0.0807141204  -0.4940510275
H   -5.6051057458  -1.1753952151   0.8594026635
H    0.5226865815  -3.0828297578   1.5041225524
H    1.9251523531  -1.9421768982  -2.3831279105
H    2.5628095121   0.6772875709   1.7398701300
H    4.0029304767   3.2619170137  -1.1612344180
*