! 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  -6.1213281499   1.6712040704  -1.5009603608
O    2.3250909465   1.6661643927  -0.0204760048
O    2.4641275477  -1.7173073736   2.3360271775
N    2.1925992836  -0.5378992644   0.4144226511
N    1.8453970445  -2.8609503217   0.4801541478
N    1.9986158442  -4.9725696223  -0.1181244203
C    2.3932800362   0.7867080472   1.0727980971
C    2.3015395735  -0.4100406988  -1.0649932242
C    2.8795368877   1.0072118282  -1.1294834132
C    1.2782818803   1.1316522995   2.0595424814
C    3.7627640912   0.9009630615   1.7419010868
C    3.2715417066  -1.3915699832  -1.7077523968
C    0.9523804138  -0.4408211845  -1.7749783230
C   -0.1511497380   1.0848043518   1.5209217819
C    2.2001099615  -1.6534053230   1.1537488751
C   -0.6259007096   2.3844144390   0.8630586797
C   -2.0003262378   2.2455101556   0.2728147280
C    0.6159990342  -3.2103868400  -0.0246079346
C    2.6287920954  -3.9707307026   0.4214401646
C   -2.1817000403   2.1434707044  -1.1034523194
C   -3.1286395211   2.1712775905   1.0876966582
C    0.7378096593  -4.5150929415  -0.3905156580
C   -3.4411837262   1.9674926093  -1.6590846131
C   -4.3957398862   1.9951681292   0.5538539695
C   -4.5406960884   1.8914501506  -0.8212543678
H    3.9762399632   0.9912592299  -1.0893041280
H    2.5843492785   1.5318828488  -2.0381940854
H    1.4956040297   2.1289278643   2.4550471916
H    1.3685081340   0.4577836947   2.9113255306
H    4.5709693208   0.5875162824   1.0796317987
H    3.8280884933   0.3065253517   2.6489010986
H    3.9358196148   1.9434259368   2.0127386116
H    4.1915679373  -1.4929433604  -1.1307577130
H    3.5458172647  -1.0121326988  -2.6939816920
H    2.8410625902  -2.3793126574  -1.8631732550
H    0.2580728979   0.2932083698  -1.3658882062
H    1.0973172815  -0.2054593114  -2.8305404615
H    0.4789316813  -1.4186261821  -1.7318589957
H   -0.2700477385   0.2506752616   0.8240741109
H   -0.8208314877   0.8585564846   2.3543956832
H    0.0730038520   2.6911949656   0.0854544896
H   -0.6230036586   3.1792456735   1.6147458446
H   -0.2249631357  -2.5385904691  -0.0307769415
H    3.6516662810  -3.9685495858   0.7650913304
H   -1.3267231636   2.2121827058  -1.7655690556
H   -3.0242065772   2.2560730364   2.1630648698
H   -0.0195591057  -5.1492950932  -0.8240449390
H   -3.5571612173   1.8933731389  -2.7320768147
H   -5.2584136056   1.9432637513   1.2045372421
*