! 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   0.5440466044  -1.6761255894  -1.9059139338
Cl   4.9209514680   0.9681410619  -0.4106855541
O   -1.3025302045  -1.5119334401   0.3909131895
O   -1.3732780220   0.3274182397   1.6474918206
N   -1.3552641369   1.9138065901  -0.8676306126
N   -0.4745693251   2.2362120612  -1.8177111461
N   -0.9718316375   4.0274279479  -0.5723515474
C   -0.9652105787  -0.1598383503   0.4055864704
C   -1.4430719034  -1.9853015619   1.7296498915
C   -1.1873173304  -0.7316362822   2.5715156198
C   -2.8222028070  -2.5844387055   1.9301699445
C   -1.7820098616   0.5517475222  -0.6811577757
C    0.5340445517   0.0626042812   0.2048712708
C   -3.1254146310  -3.7620970050   1.0130997666
C    1.2693540844  -0.5547472592  -0.8042455185
C    1.2040696444   0.9815149695   1.0065340762
C   -4.5090908427  -4.3435415442   1.2609559655
C    2.6159167661  -0.2869670079  -0.9977398376
C    2.5472994698   1.2701203162   0.8364437976
C   -1.6368788436   2.9897079878  -0.1269206685
C    3.2437390910   0.6267238264  -0.1700618912
C   -0.2756362155   3.5106548095  -1.6045776478
H   -0.6768662363  -2.7437241017   1.9209647739
H   -1.8994970872  -0.6066833943   3.3874737287
H   -0.1765987281  -0.7223368387   2.9922009778
H   -3.5790681115  -1.8021416829   1.8025251335
H   -2.8887644079  -2.9118368777   2.9727350857
H   -2.8358810196   0.5354256214  -0.4020774012
H   -1.6779197411   0.0383901129  -1.6339714981
H   -2.3702292300  -4.5403960818   1.1607829153
H   -3.0442433600  -3.4499341354  -0.0307311244
H    0.6669408270   1.4985595394   1.7893671035
H   -4.6232399903  -4.6791273802   2.2938313048
H   -5.2911935883  -3.6063499892   1.0677668888
H   -4.7024354179  -5.2014183883   0.6153333399
H    3.1623007065  -0.7814370745  -1.7889279476
H    3.0342920237   1.9896279333   1.4797709145
H   -2.3256685795   2.9722175803   0.7028273927
H    0.3921581115   4.0930237058  -2.2204176734
*