! 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  -2.8406372982  -0.4630110325  -0.0176818320
O   -1.6781423449   2.2398408665  -1.0256056442
O   -0.7073603526   2.7763063805   0.9204419558
N    0.9825622086   0.5840490742   0.0378908169
N    0.8915270565  -1.7706269128  -0.0043605493
N   -1.0852380475  -2.9188996239  -0.0467499377
C    3.0161494123  -0.6918303954   0.0501597915
C    3.7975313335   0.3410695525   0.8217367575
C    3.8249650812   0.3632269678  -0.6608768420
C    1.5442687140  -0.6186225814   0.0258426542
C   -0.3440636048   0.6192473259   0.0012444589
C   -0.4407718155  -1.7536463348  -0.0238024019
C   -1.1179795935  -0.5131558266  -0.0286460515
C   -0.9345645834   1.9986578531   0.0332562204
H    3.4077268857  -1.7006324438   0.0413738866
H    4.6739691227  -0.0076684796   1.3522200995
H    3.2299893642   1.1079161050   1.3330340971
H    3.2777189706   1.1459296337  -1.1702102004
H    4.7204893303   0.0290619187  -1.1684724665
H   -2.0878620672  -2.9796941237  -0.0218206691
H   -0.5573128764  -3.7746198660  -0.0128591599
H   -2.0490437959   3.1362186025  -0.9857458011
*