! 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   2.8414865063   2.4321246718   1.0255034025
O   -3.3460608167   1.4919516922  -0.1896490486
O    0.5242161536   0.3278744777   1.4047155642
N    0.2884595489  -1.1112356967  -0.3252086923
N    4.4714372215   0.6317069260  -0.0280572108
N    4.5488900125  -0.6099168355  -0.5140021366
C   -4.2720203041   0.4191980958  -0.0220182626
C   -3.3984196842  -0.8046768327  -0.0080785580
C   -1.9912495911   1.0602845971  -0.2647747791
C   -2.0702660780  -0.4328140645  -0.1233659671
C   -5.2453681058   0.4101542526  -1.1949304758
C   -5.0125410885   0.5976500519   1.2984520323
C   -1.0793395129  -1.4089199308  -0.1546382971
C   -3.7813288330  -2.1320717491   0.0692301327
C   -1.3696861485   1.5237422115  -1.5714055738
C   -1.4572546232  -2.7475782850  -0.0761437945
C   -2.7931982643  -3.1066962917   0.0289437993
C    1.0128481161  -0.2932649096   0.4765096513
C    2.4394205117  -0.1884486879   0.1374558877
C    3.3390930155  -1.1225143100  -0.4310768962
C    3.2327901894   0.9155246183   0.3820293361
C    3.0856797891  -2.5216167626  -0.8719699802
C    5.6313802898   1.4914963535  -0.0026874621
H   -1.4365399057   1.5004510074   0.5700278201
H   -5.8134672065   1.3415727969  -1.2345001103
H   -5.9619429377  -0.4074326754  -1.1028283289
H   -4.7213764160   0.2902380426  -2.1443362481
H   -5.5758608181   1.5329668868   1.3043501998
H   -4.3207108708   0.6107749020   2.1420310039
H   -5.7223215216  -0.2148905478   1.4608907523
H   -4.8240032168  -2.4140134805   0.1515485985
H   -1.4310769363   2.6094128371  -1.6587461143
H   -0.3148026624   1.2541818288  -1.6239613792
H   -1.8741589921   1.0803535490  -2.4315258879
H   -0.6935106096  -3.5153800689  -0.0962423184
H   -3.0602985653  -4.1536819432   0.0868926305
H    0.7632758547  -1.6114224976  -1.0601158653
H    2.5454038947  -3.0923074472  -0.1159979141
H    2.5115079506  -2.5652695995  -1.8006848541
H    4.0299572966  -3.0295518372  -1.0612081295
H    6.4678764206   0.9283362740  -0.4033395954
H    5.4737330593   2.3752074243  -0.6182759187
H    5.8670641962   1.7981098941   1.0146277640
*