! 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  -5.3874502010  -0.6538300882  -0.0757694797
O    3.1074455492   0.0622833155  -1.1346454391
O    0.4439850561  -0.4126665925  -0.5966324663
N    1.2035452641   1.6417482450   0.1863994917
N    1.1405218820   2.4338183566   1.2602366923
N    1.1669913501   3.6523535651  -0.6156032161
C    2.9567281191  -1.7845566051   0.4916889705
C    2.7085120253  -0.2904039817   0.1642786255
C    1.2727040120   0.1969846526   0.3413226166
C    4.4740560429  -1.9675999485   0.6216962841
C    2.3130026476  -2.1430563451   1.8319781955
C    2.4486588784  -2.7333546548  -0.5942961989
C    1.2254187837   2.3801271256  -0.9277949357
C   -0.9027606062  -0.4087753667  -0.4106418369
C    1.1239858937   3.6294986550   0.7313262115
C   -1.6345276176  -1.1610159937  -1.3256449860
C   -1.5612472174   0.2749516454   0.6048232281
C   -3.0109283018  -1.2380100597  -1.2258671943
C   -2.9446681160   0.1949464802   0.7039785810
C   -3.6619974071  -0.5581100409  -0.2063480016
H    3.2724104478   0.2866890683   0.9132685507
H    0.9521015483  -0.0005600324   1.3678129408
H    4.7133099914  -2.9990992744   0.8866272514
H    5.0027851478  -1.7533749753  -0.3100319774
H    4.8937402180  -1.3250631232   1.3995920441
H    1.2229331837  -2.1790177796   1.7773544131
H    2.5868826465  -1.4398049226   2.6228210068
H    2.6416467421  -3.1322663138   2.1562216684
H    2.8601810352  -2.4877424518  -1.5737830161
H    1.3630176789  -2.7403955268  -0.6784960679
H    2.7578016076  -3.7548678175  -0.3621568358
H    4.0636127851   0.1609212708  -1.1536723382
H    1.2677690014   1.9663854466  -1.9217159436
H    1.0732103815   4.5196331059   1.3389309828
H   -1.1225741227  -1.6912439636  -2.1184887082
H   -1.0402354894   0.8837104986   1.3309279555
H   -3.5676417175  -1.8282662146  -1.9408852137
H   -3.4481291681   0.7306646819   1.4971821589
*