! 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   6.4779420243   1.8925663937   0.0477298572
O   -1.6541493807  -0.7048829528   1.5630233015
N   -3.0957438625  -2.2060039997  -0.5178948650
N   -3.5194679700  -2.5462765300   0.7021901490
N   -4.9496389310  -3.2878702198  -0.8409150302
C   -2.5447246492   0.9480099730  -0.0633873825
C   -1.6315705695  -0.2847602639   0.2290266095
C   -1.9359637060   1.4961056998  -1.3604723280
C   -0.2587234627   0.2613688766  -0.1361485433
C   -0.4207108553   1.2696111765  -1.2407283195
C   -1.8450760859  -1.4952941361  -0.7104557120
C   -2.3607562688   1.9704082920   1.0627113547
C   -4.0349474377   0.6666109527  -0.2106282792
C    0.8440439833  -0.0872312597   0.5306659540
C    2.2114620117   0.4009232560   0.3466862503
C   -3.9562730131  -2.6585497377  -1.4282481219
C    3.0985306005   0.2921060711   1.4237142598
C    2.7003835700   0.9647265647  -0.8354797603
C   -4.6375373468  -3.1874995806   0.4615505061
C    4.4025860658   0.7485606394   1.3461351834
C    4.0054364370   1.4211454610  -0.9316734289
C    4.8479152691   1.3174539978   0.1630056402
H   -2.1867042501   2.5473249081  -1.5103561485
H   -2.3358455435   0.9586905782  -2.2241472319
H    0.1128732208   2.1920888688  -0.9973399831
H   -0.0021708320   0.9160316840  -2.1860952404
H   -1.0282779466  -2.2003677335  -0.5414488358
H   -1.8053588049  -1.2010147482  -1.7582542478
H   -1.3139418647   2.2189267510   1.2481414312
H   -2.8740930862   2.8986453488   0.8034537390
H   -2.7843378494   1.6159750104   2.0025979819
H   -4.2705528232   0.0664354656  -1.0895454239
H   -4.4489756950   0.1690932525   0.6682352142
H   -4.5746102037   1.6094611260  -0.3249866127
H   -2.3870187006  -1.3314899463   1.6818605205
H    0.7271737294  -0.7825312368   1.3558931809
H   -3.8231346440  -2.5062771896  -2.4875944867
H    2.7600206309  -0.1540134953   2.3508702084
H    2.0777647331   1.0329240013  -1.7150154892
H   -5.2407483304  -3.5959204568   1.2569799409
H    5.0603082538   0.6579572245   2.2000422018
H    4.3581609111   1.8479031900  -1.8608581941
*