! 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  -6.1668652766   0.8061623407   1.0785850420
O    2.7642567302   1.5212250122   0.4528720975
O    0.1683403790  -1.6873315263   0.6173419388
N    2.0877303331  -0.6003809945   0.0835822044
N    1.7302573415  -2.8275518067  -0.5674669486
N    2.2111592357  -4.9570779044  -0.8367360272
C    1.6255988685   0.7137219850   0.6246541943
C    3.5426798658  -0.5526055240  -0.2195821368
C    3.8929471042   0.6970995684   0.5886966957
C    0.4974234004   1.2933546090  -0.2266561538
C    1.2675948239   0.6336219048   2.1078247175
C    4.3456153579  -1.7385717874   0.2937294660
C    3.8219873317  -0.2983496761  -1.6983027632
C    0.2013597523   2.7635599978   0.0491858196
C    1.2641752425  -1.6527519370   0.0981029516
C   -0.9917400294   3.2778812111  -0.7640726770
C   -2.2981080180   2.6721405219  -0.3337832963
C    1.9086237092  -3.0156275097  -1.9160312506
C    1.9009020798  -4.0365689268   0.0291899212
C   -2.8883262126   1.6271913314  -1.0390890973
C   -2.9354432606   3.1263174976   0.8194433803
C    2.2062162670  -4.3363279334  -2.0559036749
C   -4.0753759884   1.0470395907  -0.6135054687
C   -4.1218399839   2.5622494185   1.2609577640
C   -4.6825892040   1.5215395521   0.5368455219
H    4.0934162014   0.4456811539   1.6384817409
H    4.7648111872   1.2182126909   0.1936291744
H   -0.4013483985   0.6979037637  -0.0598646289
H    0.7630904938   1.1759368205  -1.2819597519
H    2.0229577885   0.0924910154   2.6792354275
H    0.3110292959   0.1465868318   2.2747888688
H    1.2044505253   1.6408754601   2.5199822819
H    4.2837932823  -2.6114395229  -0.3537243405
H    4.0532974414  -2.0255066262   1.3044925202
H    5.3983728690  -1.4511957278   0.3291277099
H    3.2549799119   0.5515678039  -2.0789008863
H    4.8822934756  -0.0809452786  -1.8360302271
H    3.5960743891  -1.1649166817  -2.3155713233
H   -0.0009562297   2.9281888170   1.1111413857
H    1.0734947706   3.3713736527  -0.1987247635
H   -0.8215554771   3.0837369587  -1.8263264591
H   -1.0431876757   4.3636641829  -0.6535982753
H    1.7586420769  -2.2315849931  -2.6376349012
H    1.8114347842  -4.1656163470   1.0967512284
H   -2.4193324312   1.2541660581  -1.9417820479
H   -2.5033942686   3.9426067653   1.3866045777
H    2.4083498090  -4.8711411628  -2.9707758075
H   -4.5178710731   0.2351644510  -1.1753450262
H   -4.6019241073   2.9336910517   2.1564387525
*