! 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  -0.0921798234  -1.0660621404   2.8944163196
Cl  -4.6211457291  -2.1171005788   0.2353203283
O    3.1373574336  -0.5578830163  -0.6447228063
N    1.8851568075  -1.0680466994  -0.5487616971
N    2.7511538068   3.4973080795  -1.6818256477
C    1.4765700700   0.9597667039   0.7990452595
C    1.1064244992  -0.3571696418   0.1625324855
C   -0.2968282986  -0.8243927532   0.2063607572
C    1.4912426565   2.0411512653  -0.2506078913
C   -0.9552136260  -1.1271927924   1.3956604335
C   -1.0141669749  -0.9608020002  -0.9798433056
C    0.3090300571   2.5468221307  -0.7802103922
C    2.6831539979   2.5619778289  -0.7438947118
C   -2.2814145907  -1.5250004625   1.4205183132
C   -2.3394341361  -1.3608474457  -0.9876502000
C   -2.9628841689  -1.6309603748   0.2188926954
C    0.3679954373   3.5192883282  -1.7645406204
C    1.6132816599   3.9593912352  -2.1845651511
C    3.9434754294  -1.3846411782  -1.4626038414
H    0.7500841575   1.2162494266   1.5693226709
H    2.4487661086   0.8909391816   1.2894391989
H   -0.5266963757  -0.7367347780  -1.9191745569
H   -0.6512547770   2.1927016875  -0.4242639096
H    3.6295560079   2.2074399465  -0.3497941155
H   -2.7680103735  -1.7576577918   2.3574149182
H   -2.8730027667  -1.4533925787  -1.9230756495
H   -0.5329496081   3.9339904971  -2.1956056138
H    1.6933203446   4.7192238401  -2.9538908558
H    3.5547739513  -1.4474485787  -2.4815332812
H    4.0393257149  -2.3922938383  -1.0519981925
H    4.9262960636  -0.9178985670  -1.4881064579
*