! 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   0.4338021434  -0.9965886042   2.2928021494
Cl   0.4361206905  -5.2096702298  -0.9653363673
O   -0.4880416321   1.2392079642   0.6158281992
O    0.1476597410   1.4155439092  -1.5020692276
N    1.8765386673   2.6956166820   0.4039254608
N    1.7878965100   3.1498937427   1.6549975267
N    1.8449191194   4.8548359503   0.2057050526
C    0.4700200593   0.8021025668  -0.2906511196
C   -1.7058196480   1.4725241450  -0.0843758706
C   -1.2637609831   1.5225389201  -1.5568745900
C   -2.7517069749   0.4071003877   0.1969246980
C    1.8615832630   1.2860524080   0.1199323734
C    0.4726073173  -0.7211494378  -0.4294306994
C   -4.0889755419   0.7377906104  -0.4565707941
C    0.4403130044  -1.5843934490   0.6652450729
C    0.5295063765  -1.2997470536  -1.6934497194
C   -5.1319107432  -0.3449659920  -0.2290425971
C    0.4283276533  -2.9621321981   0.5096061752
C    0.5208235726  -2.6720350148  -1.8787357440
C    1.9014944355   3.7216258322  -0.4506608224
C    0.4615978272  -3.4936128679  -0.7675841362
C    1.7756557520   4.4460791120   1.4881807859
H   -2.0817914097   2.4452496703   0.2460880505
H   -1.6928295654   0.6991419060  -2.1390547572
H   -1.5210590029   2.4590441839  -2.0507054897
H   -2.8888028628   0.3158055573   1.2779663903
H   -2.3965213424  -0.5660134682  -0.1589074853
H    2.5611447900   1.0694233436  -0.6879199907
H    2.2150597068   0.7652431005   1.0069448042
H   -3.9578509513   0.8837004291  -1.5337055991
H   -4.4576871760   1.6911799542  -0.0664549838
H    0.5789876595  -0.6655551039  -2.5677446595
H   -5.3143050009  -0.5071073773   0.8350150110
H   -6.0851622505  -0.0803857798  -0.6887656054
H   -4.8147933270  -1.2980231144  -0.6568298171
H    0.3941482372  -3.6077723984   1.3761679710
H    0.5583090565  -3.0862213524  -2.8765006929
H    1.9751595761   3.5990176753  -1.5192160377
H    1.7188015192   5.1262514234   2.3238795104
*