! 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  -4.7066978864  -0.4808753945  -0.0162070320
O    1.8314995733  -1.3470899200  -1.1041097032
N    2.8789769374  -0.4452023405  -0.7982715333
N   -0.4975567707   2.4529979953   0.9821512818
C    2.4652546062   0.1537920951   0.4744259096
C    1.8937219692  -1.0586013894   1.2205142020
C    1.1769251886  -1.7916338676   0.0889910705
C    1.3860750551   1.1908058319   0.1853976654
C    3.6151679314   0.8315112748   1.2082321575
C   -0.3022536138  -1.4806354808   0.0155859486
C    4.1257001176  -1.1887138879  -0.7768531655
C    1.2879817824   1.8305707999  -1.0424922165
C    0.4680980471   1.5641707366   1.1630450934
C   -0.8820483605  -0.8645674885  -1.0869411587
C   -1.1161582062  -1.8088733655   1.0964821767
C    0.2815363318   2.7612853481  -1.2460861924
C   -2.2344929859  -0.5573153456  -1.1034257680
C   -2.4683365006  -1.5074526509   1.0972897348
C   -0.5948666829   3.0297469946  -0.2089628925
C   -3.0167573793  -0.8755798663  -0.0073423070
H    2.7076030667  -1.6623284715   1.6253208972
H    1.2398269107  -0.8118591886   2.0533524834
H    1.3077868828  -2.8754982282   0.1817382456
H    4.0814810691   1.5990615004   0.5886104814
H    4.3820659488   0.1248399899   1.5257353034
H    3.2353509578   1.3226658593   2.1042182976
H    4.1964338026  -1.9631245242  -0.0041584615
H    4.9534752378  -0.4934982445  -0.6474402909
H    4.2595085277  -1.6644758757  -1.7475994277
H    1.9810869316   1.5911373098  -1.8374578486
H    0.5077817922   1.1204303977   2.1522174932
H   -0.2814884969  -0.6013211272  -1.9455648555
H   -0.6947248478  -2.2996990587   1.9663200888
H    0.1742779683   3.2676364257  -2.1959729095
H   -2.6672475908  -0.0692200141  -1.9664818437
H   -3.0826713634  -1.7593614443   1.9513659635
H   -1.4008891658   3.7436222696  -0.3381213209
*