! 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   0.6113085003  -1.2334383919  -2.3762319179
Cl   4.7487315028   0.7250438814   0.3497618355
O   -1.6177822425  -1.3997147472  -0.4335386918
O   -1.8165910614   0.1085799802   1.1750894166
N   -1.3066370829   2.1969365285  -0.8964145100
N   -0.2647231100   2.6397304763  -1.6035389434
N   -0.8876027870   4.1654341159  -0.0895897791
C   -1.2246455417  -0.1195212964  -0.0706498358
C   -1.6353677601  -2.1902763539   0.7503500313
C   -1.8615142995  -1.1381070942   1.8554238237
C   -2.7101321963  -3.2534430771   0.6090319387
C   -1.8192216059   0.8653598623  -1.0833643138
C    0.2935719495   0.0282208539   0.0291152342
C   -2.6104323103  -4.3831046599   1.6298928092
C    1.1718360599  -0.4193502184  -0.9550469426
C    0.8445444337   0.7103779739   1.1096720416
C   -2.7745708507  -3.9687110199   3.0853129458
C    2.5402626529  -0.2169726374  -0.8614550592
C    2.2056988878   0.9336276462   1.2265220516
C   -1.6631670081   3.1133894596   0.0085949327
C    3.0446376083   0.4616687074   0.2337091381
C   -0.0499374153   3.8222494541  -1.0889737328
H   -0.6576236252  -2.6721160574   0.8806269015
H   -2.8387409647  -1.2239614174   2.3325830365
H   -1.0915389324  -1.1899645627   2.6300552919
H   -2.6203862001  -3.6911775255  -0.3887758920
H   -3.6970463698  -2.7820818462   0.6590044033
H   -2.9043070002   0.8743980026  -0.9784178343
H   -1.5812893322   0.5574292867  -2.0989719101
H   -1.6523844169  -4.8964721181   1.5051738853
H   -3.3781331374  -5.1210553183   1.3855536569
H    0.1963588299   1.0908285567   1.8865613381
H   -1.9655266195  -3.3221093675   3.4301608801
H   -3.7167072188  -3.4425284119   3.2514603997
H   -2.7733084984  -4.8443758239   3.7360046647
H    3.1994064358  -0.5788112252  -1.6381880520
H    2.5976205110   1.4703147449   2.0792466800
H   -2.4823989754   2.9769537595   0.6968680403
H    0.7367013450   4.4658874466  -1.4512131580
*