! 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   4.6520411904   3.8440725658   0.7658600283
O   -2.3242016278  -1.1427088019   1.4181365523
N   -1.1502441740  -2.8807091943  -0.5971355008
N   -0.2189826234  -3.1620216635  -1.5130079932
N    0.0510416860  -4.4610643810   0.2870225910
C   -2.2027628234  -0.6862666187   0.0921126901
C   -3.3509707354   0.2878173861  -0.3490511918
C   -0.9651718149   0.2279679484   0.0048476277
C   -2.7033790186   1.0686050333  -1.5095698292
C   -1.1802215687   1.0283710442  -1.2818443985
C   -2.1802357152  -1.8950577723  -0.8606655891
C    0.4233679110  -0.4044893038   0.1229545471
C   -3.7121175276   1.2400000070   0.7970539090
C   -4.6442805767  -0.3998916247  -0.7866538885
C    1.4895690083   0.6458076228   0.2829400346
C   -0.9815364381  -3.6695159474   0.4673894515
C    2.2724483982   1.0486267107  -0.7949964022
C    1.7078981851   1.2596674240   1.5147158123
C    3.2434882947   2.0307311091  -0.6590472933
C    2.6739077109   2.2413161920   1.6730005587
C    0.4801873256  -4.1089656199  -0.9386919942
C    3.4360812981   2.6202506104   0.5789320171
H   -1.0605503947   0.9114646193   0.8546014187
H   -3.0896579845   2.0884454323  -1.5522711603
H   -2.9570197283   0.6085486010  -2.4674066047
H   -0.6801526656   0.5379565063  -2.1213120509
H   -0.7453477270   2.0249693305  -1.2053405567
H   -2.0466559312  -1.5863553889  -1.8963444536
H   -3.1393034510  -2.4120941161  -0.8046187709
H    0.6496052699  -1.0009689181  -0.7613720671
H    0.4532667583  -1.0759527401   0.9851609047
H   -4.4447640842   1.9673903507   0.4432153705
H   -4.1647873797   0.7157506958   1.6399763838
H   -2.8634870153   1.8070216382   1.1793891596
H   -4.5275280586  -1.0063803568  -1.6850403696
H   -5.0615698888  -1.0363286282  -0.0011835321
H   -5.4012684243   0.3527310903  -1.0158764464
H   -3.1766763240  -1.5790922413   1.5307880134
H   -1.6201530978  -3.6453957723   1.3338480301
H    2.1319158678   0.5874676267  -1.7651514179
H    1.1210333468   0.9643337900   2.3765746080
H    3.8424317891   2.3247432256  -1.5104384722
H    2.8319277262   2.6988758743   2.6403648060
H    1.3284289804  -4.5640140416  -1.4258010307
*