! 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  -5.4313016060   3.3559514529   1.5467187383
O    1.9499261710   1.4254373685   0.5597775081
O    3.3310881665  -2.2324494159  -1.5351112800
N    2.6145979631  -0.6120258314  -0.1202140416
N    1.5466361316  -2.7075392376  -0.2193387686
N   -0.1448358320  -4.1065417491  -0.3680315781
C    1.5846297457   0.0767686792   0.7172791400
C    3.7097847059   0.3262948200  -0.4699952299
C    3.3513968660   1.4814006977   0.4630159833
C    0.1471650072  -0.0600451673   0.2230804232
C    1.6826940872  -0.3109685337   2.1909812846
C    5.0896624488  -0.2209508970  -0.1363960946
C    3.6253967969   0.7838562005  -1.9247292276
C   -0.0925313348   0.2960686917  -1.2367156580
C    2.5745128240  -1.8256713598  -0.6788572301
C   -1.5442598132   0.0555006496  -1.6611182003
C   -2.5341300945   0.8686839341  -0.8745134251
C    1.4680566093  -3.3492212079   0.9923918404
C    0.5666912701  -3.2248020840  -1.0077182126
C   -2.6616254807   2.2387204991  -1.0954558981
C   -3.3225300257   0.2886702505   0.1147064701
C    0.4134203473  -4.2018089874   0.8774592135
C   -3.5464970790   3.0098001182  -0.3581674213
C   -4.2141819769   1.0427225170   0.8648488400
C   -4.3180958172   2.4016316886   0.6203283506
H    3.8309217507   1.3700984390   1.4440084618
H    3.6403008220   2.4504369850   0.0561781594
H   -0.4468411090   0.6005168103   0.8613600925
H   -0.2218740444  -1.0642804367   0.4376495519
H    1.2360096369  -1.2820699750   2.3879265122
H    1.1348819213   0.4196143038   2.7873234159
H    2.7129407937  -0.3378101383   2.5462049492
H    5.8117570149   0.5976331748  -0.1494643133
H    5.4279627954  -0.9658882598  -0.8531299888
H    5.1116818542  -0.6644108634   0.8601209625
H    4.4022734879   1.5258562499  -2.1164815668
H    3.7768267930  -0.0367157285  -2.6224411751
H    2.6632876527   1.2482219648  -2.1448924994
H    0.1708233732   1.3411256499  -1.4151966484
H    0.5488997604  -0.2946153864  -1.8960720300
H   -1.7816074518  -1.0068101324  -1.5583223023
H   -1.6392094663   0.2897956099  -2.7241598140
H    2.1734225826  -3.1800269618   1.7875180741
H    0.4176757453  -2.9010343513  -2.0265499083
H   -2.0634578961   2.7197071407  -1.8606810775
H   -3.2467081338  -0.7745923201   0.3090744037
H    0.0347752901  -4.8840554367   1.6223558647
H   -3.6340209491   4.0711905212  -0.5482418042
H   -4.8186780821   0.5711295081   1.6280967284
*