! 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   1.1710415684   0.9642903971  -2.2566781499
Cl  -6.9519258215  -0.1138524225  -1.4347585152
O    3.7996586215   0.8431283784  -0.9157290801
O    4.0145756440  -0.1418465098   1.0604736291
O   -2.1076672614   1.1953692576   1.5832770601
N    2.4269254518  -2.4007181656   0.0027495938
N    1.1427594988  -2.6442561942  -0.2671791626
N    1.7886789225  -3.7741170096   1.5545068194
C    3.1861679937  -0.0664684199  -0.0658240631
C    4.3459805503   1.8674593927  -0.0924174456
C    3.1770255579  -1.4333302471  -0.7566721574
C    4.6383739010   1.1252218453   1.2214179534
C    1.7756064454   0.3540582030   0.3408146925
C    5.5552023717   2.4671030489  -0.7640689776
C    0.8133662311   0.7848536694  -0.5701239655
C    1.3712867969   0.2158378480   1.6649358851
C   -0.4844311023   1.0773815739  -0.1859674401
C    0.0753014355   0.4767303077   2.0738881825
C   -0.8521342133   0.9052269733   1.1405495948
C    2.7972111765  -3.0730887142   1.0953804501
C    0.8035453607  -3.4728531689   0.6851150150
C   -3.1990245495   0.8644373941   0.8323925744
C   -4.2784414753   1.7341725427   0.8763664030
C   -3.2728960140  -0.3122572842   0.0972976322
C   -5.4400607151   1.4302545697   0.1848284076
C   -4.4299943979  -0.6095218939  -0.6050396566
C   -5.5063665826   0.2624171860  -0.5578281219
H    3.5923696602   2.6464896931   0.0731884919
H    4.2021267394  -1.7833743003  -0.8812420126
H    2.7219458882  -1.3621931461  -1.7419608292
H    5.7067654755   0.9656947849   1.3843209309
H    4.2347926273   1.6581621173   2.0860422423
H    6.3252016036   1.7149620006  -0.9434483705
H    5.2892576064   2.9267722951  -1.7165688876
H    5.9827790161   3.2465705705  -0.1325290757
H    2.0801341771  -0.1283364902   2.4050151393
H   -1.1965257664   1.4292739453  -0.9209079785
H   -0.2105320163   0.3439151373   3.1090390361
H    3.7939396330  -3.0286692902   1.5051115836
H   -0.1921967637  -3.8830536007   0.7535414111
H   -4.2165157546   2.6473838247   1.4539327916
H   -2.4439552860  -1.0077077358   0.0621823300
H   -6.2801524390   2.1100417405   0.2239623571
H   -4.4837290798  -1.5244805148  -1.1791186894
*