! 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   4.8684223542   4.4657520537  -0.5762470226
O   -1.2727814831  -1.2943428849   1.5501523354
N   -1.8913956032  -3.1140820805  -0.4229301257
N   -2.8473876927  -3.6317520857  -1.1994490774
N   -2.3257374642  -5.0604899332   0.4397515714
C   -1.4618933952  -0.7009437919   0.2836464093
C   -2.8689491788  -0.0095423719   0.2159899298
C   -0.3397907078   0.3199655087  -0.0173044599
C   -1.2739801936  -1.8420186236  -0.7380789746
C   -3.0367385242   0.9702054989   1.3874293629
C   -3.0406606839   0.7744494373  -1.0880525177
C   -4.0103587438  -1.0255720134   0.3177266873
C    1.0691875228  -0.1014891928   0.4156782579
C    2.0463157844   1.0145489661   0.1732275873
C   -1.5864873407  -3.9808281375   0.5463500566
C    2.3005788151   1.9605542015   1.1627794543
C    2.6830966969   1.1638903465  -1.0558689377
C   -3.0818323134  -4.7916812696  -0.6417156507
C    3.1637358757   3.0232809481   0.9431330932
C    3.5497477546   2.2198574912  -1.2965930902
C    3.7827911695   3.1435966561  -0.2904502711
H   -0.5669545586   1.2715786431   0.4682473546
H   -0.3275626466   0.5345152801  -1.0894888401
H   -1.6527361677  -1.5464975101  -1.7139593209
H   -0.2079347304  -2.0312137619  -0.8664795306
H   -3.0877305167   0.4651639362   2.3543990860
H   -3.9792065828   1.5090974678   1.2765185070
H   -2.2516257485   1.7255259611   1.4417800035
H   -2.3567723559   1.6206272642  -1.1666951197
H   -4.0533033894   1.1791145923  -1.1434434730
H   -2.9051193094   0.1514917751  -1.9745482963
H   -4.1076892058  -1.6411307478  -0.5757211535
H   -3.9014807902  -1.6874833897   1.1782861746
H   -4.9578562092  -0.4944164585   0.4379616789
H    1.3950097977  -0.9921828306  -0.1262881403
H    1.0775771545  -0.3619968752   1.4748075970
H   -1.2636253516  -0.6071995237   2.2251829027
H   -0.8250931109  -3.7994644140   1.2858922317
H    1.8202782777   1.8699302710   2.1298164951
H    2.5079502581   0.4425986890  -1.8452133138
H   -3.8219695138  -5.4723300826  -1.0332921465
H    3.3502168347   3.7442431516   1.7275837335
H    4.0381887669   2.3152597818  -2.2570050251
*