! 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  -0.4335789822   0.8714647703  -2.4225236575
Cl   3.7117453041   2.5664246866   0.4629175769
O   -2.4714638566   0.0084024305  -0.3927997583
O   -1.7416542161  -1.0491841602   1.4497878777
N    0.1122391773  -2.5425918238  -0.4853812187
N    0.4182520921  -3.1258330159   0.6741696997
N    2.2098167095  -3.0637210995  -0.6680964758
C   -1.3848090126  -0.6800935941   0.1476636800
C   -3.3058204078   0.4577504204   0.6700704631
C   -3.0669314849  -0.6198517174   1.7163001972
C   -1.1713482566  -1.9381495098  -0.7183718412
C   -0.1160903789   0.1710720232   0.2054771427
C   -2.9636066494   1.8640004874   1.1371626927
C   -3.0071956906   2.8935441548   0.0198210699
C    0.3737761563   0.8819352570  -0.8878958607
C    0.6343960963   0.2162520520   1.3771630491
C    1.5436367000   1.6236467099  -0.8185961942
C    1.8067474171   0.9452889484   1.4749663329
C    1.1917247356  -2.5021397510  -1.2714908924
C    2.2509759940   1.6482695023   0.3698812403
C    1.6828495134  -3.4247471231   0.5181981987
H   -4.3327541625   0.4353871406   0.2974786727
H   -3.1213687052  -0.2475019170   2.7404643851
H   -3.7707128599  -1.4514752216   1.6125722663
H   -1.2274346730  -1.6846146013  -1.7746853121
H   -1.9614624397  -2.6596590451  -0.5085398689
H   -3.6899008600   2.1301131886   1.9104129280
H   -1.9836130126   1.8777718422   1.6237572097
H   -2.2676313225   2.6842074117  -0.7530267914
H   -3.9879617658   2.9211112060  -0.4597260179
H   -2.8037385441   3.8930942362   0.4051116501
H    0.2975298056  -0.3324070428   2.2440738498
H    1.8966424723   2.1681642772  -1.6833448020
H    2.3618812785   0.9574150956   2.4026075731
H    1.1827220047  -2.0724523376  -2.2614904972
H    2.2482931344  -3.9251128760   1.2890347011
*