! 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  -0.0458470592  -2.3776565263  -1.9811812341
Cl  -4.5283978332  -1.4458199137   0.8044987717
O    3.4082448255  -0.5548625205   0.7276187983
N    2.1160166689  -0.9402789857   0.8932481258
N   -0.1887546965   3.6133850190  -0.5012991940
C    1.6943422689   0.4215759503  -1.1394831275
C    1.3310450474  -0.4978173668  -0.0016122179
C   -0.1050623774  -0.7943274023   0.2095501850
C    1.4167534010   1.8411880194  -0.7194736288
C   -0.8421147573  -1.5906328754  -0.6615160870
C   -0.7746374786  -0.2209298947   1.2862354266
C    2.3783903042   2.6326682859  -0.1023086127
C    0.1504836096   2.3931254839  -0.8923799547
C   -2.1998587684  -1.8032564552  -0.4906862591
C   -2.1310236876  -0.4154955620   1.4853054158
C   -2.8313272866  -1.2012278352   0.5856975992
C    2.0369743802   3.9129618513   0.3031739116
C    0.7405797672   4.3546634581   0.0883989193
C    4.2248298773  -1.1534314268   1.7161434775
H    2.7380514572   0.3013744715  -1.4266296821
H    1.0914321357   0.1751958667  -2.0144242056
H   -0.2248296496   0.4018955028   1.9790597151
H    3.3814140861   2.2570086912   0.0569294865
H   -0.6270082479   1.8135218878  -1.3809542415
H   -2.7502019858  -2.4294727381  -1.1787515990
H   -2.6287646960   0.0476500290   2.3254957010
H    2.7603032855   4.5605437928   0.7795712118
H    0.4429409035   5.3491687892   0.4016226380
H    5.2352552076  -0.7931502622   1.5320076849
H    4.2188164079  -2.2433561575   1.6422240822
H    3.9219463123  -0.8609077042   2.7241277822
*