! 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  -0.8405423114  -1.1914745037  -2.7161471706
Cl  -4.5235867063   0.8310881977   0.6138806747
O    0.7200436867  -2.8637514105   0.6338083810
N    1.6037368920  -2.0619680354  -0.0239301945
N    2.0324049662   3.2375540882   0.8642973582
C    1.9913861631   0.0222180479  -1.1013324177
C    1.0934743315  -0.9671442380  -0.4106636049
C   -0.3072562143  -0.5606208265  -0.1474897057
C    2.4236738263   1.0918115460  -0.1340212102
C   -1.2683508036  -0.5945769879  -1.1503636963
C   -0.6865462921  -0.0953660156   1.1073806039
C    3.5307738456   0.9114237843   0.6872674047
C    1.7129239201   2.2788466045   0.0041164641
C   -2.5692799574  -0.1708575474  -0.9336536506
C   -1.9786206011   0.3359200650   1.3538712267
C   -2.9074207684   0.2943078107   0.3260757692
C    3.8795914449   1.9086609932   1.5818913465
C    3.0964056471   3.0521944288   1.6346878147
C    1.3801741122  -4.0170883521   1.1174718366
H    2.8632209634  -0.4977903646  -1.4994063625
H    1.4664185470   0.4721918187  -1.9464722612
H    0.0417866560  -0.0632669918   1.9067937949
H    4.1157862205   0.0016467958   0.6216980754
H    0.8434283554   2.4651610956  -0.6192310023
H   -3.3009107581  -0.2073188977  -1.7289355469
H   -2.2540309656   0.6977126794   2.3346270549
H    4.7422714622   1.8058074137   2.2261700888
H    3.3411126497   3.8517388780   2.3250091380
H    2.1743722560  -3.7649461401   1.8243888845
H    1.7997091903  -4.6190472267   0.3078049664
H    0.6233770478  -4.6037111167   1.6358347652
*