! 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   4.3174667059  -1.8684651294  -0.2159069253
O   -1.5038729114   0.7639681810  -1.8284868345
N   -0.7770504361   2.3045374097   0.5271285874
N    0.0361812569   2.5032249049   1.5679611172
N    0.3790297783   4.0672928652   0.0077658169
C   -2.3185066717  -1.7776651700   0.8630085605
C   -3.1120181686  -1.3336903191   2.0549160295
C   -3.5148640568  -2.5637433438   1.3032218009
C   -2.3674437746  -1.0423860041  -0.4574356792
C   -1.3665714621   0.1459469519  -0.5667340832
C   -2.1967848964  -2.0411187927  -1.5987864278
C   -1.6981212236   1.1899797827   0.5141440702
C    0.0729548649  -0.3254756260  -0.4712430945
C    0.8173207141  -0.5731317675  -1.6224626106
C    0.6800021161  -0.5601660809   0.7609105176
C    2.1186125559  -1.0477204829  -1.5523340389
C    1.9796241442  -1.0344583173   0.8488919582
C   -0.5610131776   3.2452221865  -0.3956902856
C    2.6916651322  -1.2761573709  -0.3134693475
C    0.7101103373   3.5659936699   1.2124363632
H   -1.3635120626  -2.2449540152   1.0826328579
H   -3.7431370376  -0.4584823623   1.9548817063
H   -2.6685610104  -1.4474460767   3.0363594038
H   -3.3521043827  -3.5291685329   1.7654249446
H   -4.4098517267  -2.5103680299   0.6939837332
H   -3.3699291980  -0.5983890996  -0.5470902596
H   -2.2387140966  -1.5720872447  -2.5813340655
H   -2.9969396204  -2.7813076577  -1.5591786167
H   -1.2515394688  -2.5812410937  -1.5242384129
H   -1.6834331101   0.7681779461   1.5145541825
H   -2.7098899033   1.5651069168   0.3438818558
H   -2.4411073235   0.9045601259  -2.0064685605
H    0.3905758447  -0.4040132497  -2.6003782475
H    0.1521197513  -0.3762901691   1.6864022592
H    2.6747115893  -1.2331337121  -2.4614166302
H    2.4266293986  -1.2065069667   1.8185537729
H   -1.1053890483   3.3041356253  -1.3228011353
H    1.4663390781   3.9991912288   1.8486455767
*