! 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   0.6058928635   1.9863214893   1.2055583001
Cl   5.0100391091  -0.2553305584  -0.7504915362
O   -1.4369124778  -1.7203177544  -0.3407484901
O   -1.5409685541   0.0629545549   0.9655650755
N   -1.3636216340   1.7629115880  -1.4222357589
N   -0.2878182277   2.2332919871  -2.0576890626
N   -1.4043735820   3.9011876777  -1.0657371270
C   -1.0199053774  -0.3900385146  -0.2384005655
C   -1.5085371410  -2.2648529982   0.9782672809
C   -1.4106984322  -1.0159229111   1.8736241699
C   -2.7945798131  -3.0551091613   1.1259837355
C   -1.6781760538   0.3603260503  -1.3992202471
C    0.5087845888  -0.3122508390  -0.2957773820
C   -2.8531836310  -3.8277555135   2.4383970778
C    1.2849421149   0.6886711973   0.2856230269
C    1.1807853661  -1.2882994687  -1.0293694538
C   -4.1337579619  -4.6359224078   2.5791154576
C    2.6672618071   0.7074013045   0.1530629177
C    2.5552148927  -1.2904574364  -1.1824416302
C   -2.0169617549   2.7677691151  -0.8317573289
C    3.2899303103  -0.2834917606  -0.5821424965
C   -0.3516593918   3.5168970674  -1.8154110467
H   -0.6493322864  -2.9237268601   1.1473610700
H   -2.2139833103  -0.9430102488   2.6077441275
H   -0.4554901807  -0.9736521018   2.4064277490
H   -2.8735376964  -3.7592358608   0.2920933847
H   -3.6501753147  -2.3753856180   1.0501156851
H   -2.7598377262   0.2490379576  -1.3172336198
H   -1.3646377582  -0.0757904929  -2.3466338706
H   -2.7675911316  -3.1394628912   3.2850050750
H   -1.9903652829  -4.4973958622   2.5037359151
H    0.6143900295  -2.0795401548  -1.5007434334
H   -4.1558850614  -5.1831626029   3.5224422027
H   -5.0161808146  -3.9936984798   2.5519473122
H   -4.2337642723  -5.3663596479   1.7738859114
H    3.2458791310   1.4936170691   0.6178101863
H    3.0382012779  -2.0664232638  -1.7596228635
H   -2.9213416588   2.6257260028  -0.2613495179
H    0.3850584355   4.2053839066  -2.1995402021
*