! 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   0.1157609634  -0.9822982968   2.5115485044
Cl   0.3945348043  -5.2818573371  -0.6176537574
O   -0.6956339160   1.1970923219   0.7230913999
O    0.0755525610   1.2797012880  -1.3862518239
N    1.8072086399   2.6537399974   0.3276304611
N    1.3203993000   3.4476713043   1.2836856981
N    2.1532716436   4.6684309795  -0.3985226707
C    0.3158403757   0.7420925736  -0.1185208599
C   -1.6494656745   1.9732388574   0.0103081188
C   -0.9354898360   2.2686872211  -1.3053753998
C   -2.9906712565   1.2680017723  -0.1218180844
C    1.6908790302   1.2226108351   0.3856507729
C    0.3334267033  -0.7801785665  -0.2113873249
C   -2.9941742743  -0.0681684319  -0.8541499133
C    0.2431164783  -1.6109291282   0.9039069456
C    0.4699449911  -1.3933762730  -1.4535422892
C   -4.4049231376  -0.6172488351  -1.0118825467
C    0.2578164247  -2.9935114905   0.7873201035
C    0.4934060065  -2.7696438250  -1.5971039875
C    2.2953096233   3.3946966670  -0.6716482982
C    0.3792331373  -3.5608625804  -0.4679923642
C    1.5526106916   4.6443845112   0.8085427223
H   -1.8039669145   2.8984281851   0.5715366904
H   -1.5864247353   2.1812177657  -2.1769032068
H   -0.5001705743   3.2725392517  -1.3148069469
H   -3.6648546785   1.9670988618  -0.6283552992
H   -3.4071096787   1.1287118234   0.8806909846
H    2.4736963646   0.7946146549  -0.2394778866
H    1.8680747555   0.8961604686   1.4083683211
H   -2.3879899734  -0.7926475612  -0.3062872395
H   -2.5380841703   0.0292124628  -1.8436902700
H    0.5535242385  -0.7843843298  -2.3420907412
H   -4.4023178299  -1.5859909092  -1.5130269741
H   -4.8902460317  -0.7517650609  -0.0429731264
H   -5.0312471188   0.0554624229  -1.6014497975
H    0.1745778032  -3.6144793614   1.6685674446
H    0.5961139768  -3.2121226710  -2.5782854342
H    2.7426348940   2.9681095854  -1.5556827097
H    1.2840524325   5.5361996448   1.3536246088
*