! 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  -0.4560503362  -0.2094180286  -2.1854687205
Cl   4.0538929464  -1.7057256255   0.2557245116
O   -1.0617414043   2.4940648667   1.1260621940
N   -2.4260508697  -0.8660288799   0.7726571200
N   -2.1432941808  -3.0138644061   0.3710918259
C   -1.1945375174   1.2573911972   0.4731178747
C   -2.1977014942   0.4519460991   1.3101565600
C    0.1255893346   0.5260567307   0.3682524148
C    0.5290666240  -0.1763047467  -0.7605536131
C    0.9813500087   0.5134468771   1.4662772953
C   -3.3112068942  -1.1968279090  -0.2163474942
C   -1.7461975797  -1.9933961445   1.0821344171
C   -0.6889008136   3.5685949978   0.2792524234
C    1.7325628993  -0.8641707056  -0.8104410325
C    2.1873876392  -0.1637376867   1.4505010733
C    2.5515695972  -0.8501467749   0.3035957614
C   -3.1227436440  -2.5270220122  -0.4464323685
C    0.7055470689   3.4580143845  -0.2509691506
C    0.9971883390   3.4048765770  -1.5437018475
H   -1.6208652684   1.4036719147  -0.5265224319
H   -1.8372221571   0.3559414427   2.3354068504
H   -3.1470291387   0.9859632318   1.3458247783
H    0.7054771389   1.0555318633   2.3616087532
H   -3.9833696567  -0.4766472237  -0.6524822443
H   -0.9806697793  -2.0090726256   1.8430161416
H   -1.3993978952   3.6641301895  -0.5519246630
H   -0.7851283162   4.4657749440   0.8950606961
H    2.0222058031  -1.3983988459  -1.7044541020
H    2.8311144468  -0.1527599072   2.3189649949
H   -3.6428212246  -3.1562820732  -1.1518836898
H    1.5038354311   3.4336750163   0.4841821713
H    2.0206609628   3.3433912467  -1.8899040517
H    0.2282411822   3.4204578516  -2.3072062149
*