! 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   5.0183953145   3.9564139062   1.6549323030
O   -1.5197572371  -0.6270772749  -1.8119253914
N   -1.6306715673  -3.2763303563  -0.6736136229
N   -2.5420491548  -3.9454367972   0.0357785865
N   -2.4395757750  -4.7484564261  -2.0501585405
C   -1.4066779376  -0.7869570683  -0.4138412680
C   -2.7271493087  -0.3683935795   0.3017730932
C   -0.3730811581   0.2501814083   0.0900191127
C   -2.6459010733   1.1612137872   0.1986138584
C   -1.1800826292   1.5156664015   0.4496958177
C   -0.8620501178  -2.1901137649  -0.1072833788
C    0.7774040420   0.5123625151  -0.8890266265
C   -2.7218143522  -0.7938145840   1.7721131739
C   -4.0114556092  -0.8855153288  -0.3429994471
C    1.8453097441   1.3731863176  -0.2729964776
C   -1.5800360094  -3.7655121386  -1.9148438540
C    1.9411411666   2.7302342009  -0.5666486384
C    2.7595112290   0.8341829303   0.6306191348
C    2.9090603453   3.5327887967   0.0213081921
C    3.7361197122   1.6165335064   1.2262840775
C   -2.9997849296  -4.8170769075  -0.8279791009
C    3.8003847303   2.9665278419   0.9165284772
H    0.0695957092  -0.1555745856   1.0059162812
H   -3.3283790201   1.6500636583   0.8971459406
H   -2.9430426180   1.4790001485  -0.8038657020
H   -0.8742834488   2.3769966567  -0.1462534283
H   -1.0105923467   1.7920230156   1.4912770667
H   -0.7878192462  -2.3673193372   0.9632640996
H    0.1484692878  -2.2692891132  -0.5121764600
H    0.3943207760   0.9961064633  -1.7886481332
H    1.2257838763  -0.4334527504  -1.2075461872
H   -2.8291778339  -1.8738751907   1.8827691410
H   -1.8176126709  -0.4943410033   2.3054661022
H   -3.5639788985  -0.3333295784   2.2924900395
H   -4.8730569211  -0.4833364407   0.1943981569
H   -4.1340494256  -0.5635211248  -1.3800521324
H   -4.0978963422  -1.9713923213  -0.3064669504
H   -2.3336834846  -1.0370266096  -2.1221632895
H   -0.9021922200  -3.3940662964  -2.6673910506
H    1.2542442215   3.1782612699  -1.2745055274
H    2.7178058385  -0.2211242129   0.8748705623
H    2.9647612001   4.5850959298  -0.2232996222
H    4.4384851399   1.1758517728   1.9210516973
H   -3.7655521911  -5.5301472888  -0.5640413859
*