! 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   5.0088721547   3.5238420859  -0.2429443515
O   -2.0849098215  -1.5185113437   1.2245047137
N   -0.6367882709  -2.8762885491  -0.9266679227
N    0.5254844022  -2.5832858655  -1.5160190804
N    0.7470064760  -4.3955749491  -0.2222205857
C   -1.9467738289  -0.9341210542  -0.0509945241
C   -3.2350535676  -0.1192238521  -0.4028134086
C   -0.7673265016   0.0827102415  -0.1330253068
C   -2.7225555535   1.2718254126  -0.8117205425
C   -1.4213094520   1.4580807090  -0.0477927339
C   -4.3384034598  -0.0945018162   0.6744662608
C   -1.8133888669  -2.0511095143  -1.0991650666
C    0.3543438662  -0.1288736709   0.8866628517
C   -4.0360742199   0.7650818024   1.8985513378
C   -5.6548170942   0.3601002209   0.0460624933
C    1.5225168434   0.7797112319   0.6230846104
C   -0.4893526196  -3.9585897986  -0.1578431881
C    1.7577399913   1.9046932257   1.4065930535
C    2.3889713054   0.5246963231  -0.4383317716
C    2.8242644431   2.7551307445   1.1484908215
C    3.4602747607   1.3597260782  -0.7114436454
C    1.3236655891  -3.5203710282  -1.0668789491
C    3.6689690216   2.4730365053   0.0885013005
H   -3.7002795145  -0.5917460524  -1.2748762066
H   -0.3280066992  -0.0093385906  -1.1322061964
H   -3.4485398388   2.0651478880  -0.6238171532
H   -2.5167799321   1.2921430170  -1.8854239912
H   -0.7928094970   2.2441806550  -0.4693971265
H   -1.6151900428   1.7261437232   0.9944419879
H   -4.4911581835  -1.1227086176   1.0155575914
H   -1.7755640382  -1.6349209471  -2.1051845818
H   -2.6840421744  -2.7066326470  -1.0457009488
H    0.7136379276  -1.1628166464   0.8614800912
H   -0.0194026326   0.0527619301   1.8973404530
H   -1.2338021440  -1.8508438858   1.5280640435
H   -4.8484400502   0.6825738666   2.6241259688
H   -3.1198792906   0.4683211066   2.4054269549
H   -3.9519598636   1.8235463755   1.6416867946
H   -5.9454283584  -0.2776420995  -0.7914862325
H   -5.5986930868   1.3859469282  -0.3261472980
H   -6.4662322112   0.3283260149   0.7761528536
H   -1.2991076300  -4.3943915155   0.4066747450
H    1.1022909221   2.1272525230   2.2400095072
H    2.2266925866  -0.3436224891  -1.0663403991
H    2.9906519068   3.6233998774   1.7718832844
H    4.1242328789   1.1412208008  -1.5370214847
H    2.3595652566  -3.5746353301  -1.3642039020
*