! 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   5.1375585592   2.7149866844  -0.9905749006
O   -2.4025842797  -0.7578709904   1.6494980555
N   -1.3976856348  -2.6616622397  -0.3437888143
N   -1.0027336859  -3.0119586726   0.8836136655
N    0.2782270296  -4.0082281642  -0.6482219461
C   -2.3467898416  -0.4393101320   0.2766565658
C   -3.5742309691   0.4933260696   0.0004333790
C   -0.9919176655   0.2264231770  -0.0955225875
C   -2.4930641212  -1.7350275360  -0.5559367169
C   -3.3675579643   1.8588704596   0.6642662504
C   -3.7885877235   0.7191900618  -1.4999973453
C   -4.8647079820  -0.1065048247   0.5758580078
C   -0.2288065432   0.8931647200   1.0536904144
C    1.1139692077   1.3695185078   0.5751250382
C   -0.6218793382  -3.2608492924  -1.2462475283
C    2.2207603437   0.5249323212   0.6203496800
C    1.2821241706   2.6400463585   0.0312020415
C    0.0044549677  -3.8186405428   0.6530433114
C    3.4590944457   0.9269873543   0.1433747390
C    2.5121189098   3.0624243212  -0.4523081546
C    3.5932407475   2.1979759412  -0.3920749068
H   -1.1420848527   0.9556212563  -0.8947312553
H   -0.3183054344  -0.5172914399  -0.5301352759
H   -3.4247684015  -2.2488634676  -0.3177966966
H   -2.4954278182  -1.5142481235  -1.6213955285
H   -4.2738820720   2.4585521120   0.5553070037
H   -2.5588996325   2.4299874184   0.2056495743
H   -3.1645786248   1.7753594631   1.7323422560
H   -4.5433605088   1.4935692761  -1.6508872839
H   -4.1534303801  -0.1729347024  -2.0123418089
H   -2.8866916415   1.0535005012  -2.0159666386
H   -4.8369303486  -0.1894884524   1.6615332318
H   -5.7092087063   0.5382227783   0.3227313580
H   -5.0962751385  -1.0934331681   0.1713280383
H   -0.0835843554   0.1837850543   1.8693155549
H   -0.7941356424   1.7296740386   1.4661506081
H   -1.8156386746  -1.5119398805   1.8179813079
H   -0.7473398834  -3.1262069105  -2.3092347924
H    2.1219864226  -0.4694245094   1.0406636141
H    0.4414382764   3.3223241367  -0.0168602364
H    0.5581442460  -4.2816612392   1.4548182461
H    4.3062289332   0.2561002532   0.1939658397
H    2.6221238756   4.0552082868  -0.8677843221
*