! 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   1.6552203156   1.7910870070   1.9509955240
Cl   4.6788439364  -0.2701414110  -1.9245202593
O   -1.5700366697  -0.8827478811   0.2576447719
O   -0.6606091810  -0.0527264959   2.1438737702
N   -1.3712231690   1.7201798453  -0.9972631017
N   -0.4025227244   2.4341772543  -1.5757085532
N   -1.8077621763   1.6282919171  -3.1196323834
C   -0.7243140089   0.1122923569   0.7544637873
C   -1.8101574919  -1.8492832822   1.2777248981
C   -1.6266829861  -1.0144093174   2.5322204239
C   -3.1885067770  -2.4480695345   1.1018562720
C   -1.3658166328   1.4720221042   0.4209387037
C    0.6658618219  -0.0053447861   0.1411224976
C   -3.5293094931  -3.4495984351   2.1999925853
C    1.7644770247   0.7246718077   0.5898114658
C    0.8563627489  -0.8222473774  -0.9681712838
C   -4.9211850892  -4.0380036585   2.0290544055
C    2.9999391232   0.6471061918  -0.0336849693
C    2.0792077417  -0.9213072145  -1.6103013186
C   -2.1976907696   1.2382705077  -1.9304029631
C    3.1435364153  -0.1778758604  -1.1354277864
C   -0.7058017345   2.3550331672  -2.8450824249
H   -1.0467773828  -2.6373215461   1.2298596151
H   -2.5637363767  -0.5316413811   2.8373383867
H   -1.2354605269  -1.5790246775   3.3781540309
H   -3.2433310644  -2.9439646807   0.1285411986
H   -3.9293878100  -1.6422131033   1.0906916087
H   -0.8268392105   2.2863816891   0.8983860161
H   -2.3912397460   1.4840343952   0.7923115380
H   -3.4647540294  -2.9674030380   3.1801646448
H   -2.7884511270  -4.2543505971   2.2066077543
H    0.0280326660  -1.4003063463  -1.3516270197
H   -5.0238213162  -4.5493054297   1.0699806956
H   -5.1446407678  -4.7622685895   2.8133439193
H   -5.6876555624  -3.2617747196   2.0716422459
H    3.8344566795   1.2274939517   0.3345921748
H    2.1899721817  -1.5669987950  -2.4702503057
H   -3.0578345535   0.6298788465  -1.7005968236
H   -0.1131379430   2.8442412911  -3.6025670458
*