! 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  -3.5667029961   2.8377459542  -3.3679091333
O    1.7915955598   1.2629899052   0.4312640555
O    2.2317229411  -2.8600134133  -1.1083611949
N    1.6273885178  -0.8956492983  -0.1497063736
N    1.7133530657  -2.8862533989   1.1009899032
N    2.2573524244  -4.1654516442   2.8057736890
C    1.4381999025   0.0315083936   1.0087313205
C    1.6802242751  -0.1258721784  -1.4176573742
C    1.3121794957   1.2623091585  -0.8895844836
C   -0.0334605757   0.0433243125   1.4478785664
C    2.3908503816  -0.1914882152   2.1687442423
C    3.0922399755  -0.0949494571  -1.9994103821
C    0.6575195426  -0.5992768874  -2.4394396024
C   -0.4276053925   1.2460490155   2.3013341177
C    1.8797813142  -2.2074916596  -0.1486678998
C   -1.9407586306   1.4968703537   2.2754642135
C   -2.4176499869   1.8487744400   0.8935431859
C    0.5346899322  -3.2346840234   1.7149236433
C    2.7146770577  -3.4971195877   1.7872620752
C   -2.1033863612   3.0860277489   0.3334572990
C   -3.1097814825   0.9326716470   0.1067854123
C    0.8982858859  -4.0170689838   2.7677723162
C   -2.4556754305   3.4006131919  -0.9695052059
C   -3.4686417587   1.2261621477  -1.2019120066
C   -3.1329100429   2.4603976291  -1.7311696688
H    1.8023061612   2.0619477040  -1.4437734866
H    0.2296340371   1.4404204911  -0.9297952639
H   -0.2455044508  -0.8686299023   2.0050647199
H   -0.6631087905  -0.0020729323   0.5560948066
H    2.0858392327  -1.0129617629   2.8123305709
H    2.4016015114   0.7064305766   2.7875690632
H    3.4103604466  -0.3656514183   1.8241552192
H    3.4326782505  -1.0806263129  -2.3067268245
H    3.8069263143   0.3066228443  -1.2795093688
H    3.1088544910   0.5487906862  -2.8799955385
H    0.9191517995  -1.5603695174  -2.8760122364
H   -0.3364298129  -0.6801280600  -1.9973890251
H    0.5976187590   0.1260939680  -3.2520639691
H   -0.1110212647   1.0956962235   3.3362241976
H    0.0784241213   2.1484141783   1.9521436672
H   -2.1732440444   2.3095014796   2.9677000422
H   -2.4721165381   0.6141011378   2.6393160054
H   -0.4290254688  -2.9423420023   1.3347192194
H    3.7507184954  -3.3922280340   1.5034434370
H   -1.5686804490   3.8234118442   0.9209738202
H   -3.3716817663  -0.0365928310   0.5144699380
H    0.2511498132  -4.4887870077   3.4907078144
H   -2.2019497277   4.3669714519  -1.3846330279
H   -4.0002518426   0.4958039910  -1.7972132292
*