! 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   0.9895372676   0.2479070909  -2.2998028580
Cl  -6.8311910983   2.1353489233  -1.4507055106
O    3.4681628781   1.0044952338  -0.8280495186
O    3.8799689426   0.1134745345   1.1630402181
O   -2.3773516299  -0.3364452750   1.4375199272
N    3.1382570399  -2.5121699062   0.0592877744
N    2.0127279687  -3.1554696877  -0.2580521869
N    2.9240312188  -4.0361724471   1.5870217443
C    3.1214633506  -0.0568325326  -0.0018780778
C    3.6478098450   2.1382462728   0.0130834108
C    3.5692793733  -1.3546831609  -0.6807628543
C    4.0791961585   1.5077869813   1.3471139953
C    1.6322010390  -0.0775623413   0.3370908135
C    4.6645326555   3.0707893887  -0.5962314017
C    0.6257841680   0.0363992904  -0.6178869583
C    1.2249553856  -0.2877768651   1.6519285807
C   -0.7191182363  -0.0332928449  -0.2891247160
C   -0.1077714651  -0.3535692066   2.0131452127
C   -1.0826985229  -0.2213383651   1.0366633059
C    3.6679759360  -3.0426173116   1.1649705899
C    1.9265241486  -4.0613939331   0.6806265373
C   -3.3812823496   0.2622186806   0.7257644085
C   -4.4917613242  -0.5042582036   0.4101981080
C   -3.3292933658   1.6068666742   0.3821603264
C   -5.5625995758   0.0743059965  -0.2539891590
C   -4.3926022381   2.1825449877  -0.2935875742
C   -5.5020135819   1.4121861515  -0.6077671957
H    2.6918907828   2.6614140906   0.1329887969
H    4.6564511311  -1.3606654046  -0.7637420331
H    3.1543656121  -1.4288469416  -1.6832445115
H    5.1352293363   1.6784805983   1.5687841970
H    3.4872557016   1.8863499740   2.1844485108
H    4.3302122255   3.4459967014  -1.5639031677
H    4.8129386333   3.9323560386   0.0556662363
H    5.6282601260   2.5761326957  -0.7273698811
H    1.9696059659  -0.4003025577   2.4271873860
H   -1.4644832389   0.0479586830  -1.0689250894
H   -0.3880096047  -0.5115089605   3.0463740719
H    4.5824945081  -2.6851842649   1.6111538988
H    1.1143390551  -4.7711171754   0.7124025982
H   -4.5272839882  -1.5501541721   0.6862435568
H   -2.4714612704   2.2155512124   0.6383289335
H   -6.4298199032  -0.5239875789  -0.4977641910
H   -4.3516053981   3.2288256833  -0.5640512818
*