! 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  -5.8501351622  -1.3713316292   0.1924164798
O    0.0482309598   1.4867813391  -1.1013498691
N    1.4337325452   1.2564255733  -1.1603615315
N    5.3129368651  -0.3846400097  -0.7070766768
C    1.6015547915   0.0740362794  -0.2935054906
C    0.6738570085   0.3898577494   0.8909581476
C   -0.4227229695   1.2388503317   0.2266821885
C    3.0504436219  -0.1506214562   0.0681798160
C    1.1084236844  -1.1691204087  -1.0424440535
C   -1.7801948038   0.5862622366   0.1709529715
C    2.1166849204   2.4604639053  -0.7067182398
C    3.4651398105  -0.4584663565   1.3561779082
C    4.0298238891  -0.1426710053  -0.9257513113
C   -2.4353603962   0.3116544279   1.3696919389
C   -2.4143072141   0.2587022189  -1.0214997524
C    4.8061627727  -0.7213166210   1.5958519927
C   -3.6819908489  -0.2898861058   1.3877434515
C   -3.6664390014  -0.3430392180  -1.0200754689
C    5.6917038588  -0.6678818655   0.5345653277
C   -4.2899047744  -0.6154442840   0.1844258366
H    0.2838942348  -0.5099250900   1.3651682680
H    1.1823637852   0.9716604312   1.6603412987
H   -0.5263016581   2.1905354786   0.7618820353
H    1.6835880707  -1.3286453645  -1.9549680836
H    0.0565580217  -1.1005207214  -1.3184581940
H    1.2246223153  -2.0527584595  -0.4143136965
H    1.7580712647   3.3001919790  -1.3000920825
H    3.1842449652   2.3698140957  -0.8961552356
H    1.9820065003   2.7049355106   0.3538236343
H    2.7592156002  -0.5033689085   2.1752765640
H    3.7579246369   0.0770244547  -1.9535233262
H   -1.9694245924   0.5692054044   2.3137354061
H   -1.9436974303   0.4644053479  -1.9726774124
H    5.1564287445  -0.9644973434   2.5896876730
H   -4.1708826807  -0.4989345229   2.3295630399
H   -4.1439872806  -0.5940245574  -1.9576325740
H    6.7466448783  -0.8646350336   0.6882851751
*