! 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  -4.5972330820  -1.1689460538   0.2102951878
O    3.3467861128   1.6283148491   0.3859014852
O    0.1908597832  -0.6783242612   1.6990868114
N    1.8518876685  -0.0482184487   0.2816994496
N    0.3840450947  -1.8062864399  -0.2533733333
N   -0.3595492120  -3.7788297013  -0.8861939111
C    2.2434765194   1.1358678407   1.1020632639
C    2.9468998356  -0.4103656532  -0.6611285993
C    4.0414889742   0.5119684354  -0.1090195736
C    1.1605378927   2.2068690328   1.1333358792
C    2.6664826774   0.7538145518   2.5210806717
C    3.3915571598  -1.8629725899  -0.5615998687
C    2.6588719103  -0.0350543658  -2.1116310695
C    0.7562425826   2.7806917785  -0.2205678105
C    0.8062578494  -0.7980607441   0.6623332336
C   -0.6611089617   3.3697328084  -0.2034116188
C   -1.7037886486   2.2925358120  -0.0955372813
C   -0.1297472693  -1.6401493547  -1.5168544053
C    0.1924113677  -3.1106820379   0.0829437874
C   -2.0648511470   1.5549296136  -1.2218235555
C   -2.2793174233   1.9458312053   1.1230518713
C   -0.5797202965  -2.8692295373  -1.8854237048
C   -2.9543182643   0.4957878351  -1.1399965024
C   -3.1676999083   0.8850629906   1.2278728304
C   -3.4937414309   0.1641434535   0.0925656081
H    4.6222994956   0.0118729581   0.6765936473
H    4.7363489399   0.8376776243  -0.8832274198
H    1.5146736840   3.0141609280   1.7808408972
H    0.2969861208   1.7828036692   1.6450405492
H    3.1560493718   1.6112370717   2.9849322293
H    3.3676705074  -0.0813004184   2.5374320366
H    1.8164492653   0.4821191998   3.1403067987
H    4.3802707629  -1.9600595155  -1.0143199701
H    2.7346717349  -2.5467002434  -1.0967277530
H    3.4740809030  -2.1946023010   0.4743164255
H    2.3375524080   1.0018712744  -2.2126018130
H    3.5714117312  -0.1558160287  -2.6977757786
H    1.9082377922  -0.6758180024  -2.5675181017
H    1.4623589453   3.5551698178  -0.5257790280
H    0.7934666393   2.0104893619  -0.9950310015
H   -0.8175288891   3.9406813964  -1.1215977465
H   -0.7596874248   4.0779082649   0.6236452484
H   -0.1811412819  -0.6824020629  -2.0028198563
H    0.5038854432  -3.5074668339   1.0367860424
H   -1.6435139074   1.8085825413  -2.1879993793
H   -2.0328650182   2.5077308933   2.0160242984
H   -1.0582186339  -3.1432379971  -2.8125821889
H   -3.2172894104  -0.0657058747  -2.0262291392
H   -3.5964949649   0.6284968673   2.1872793977
*