! 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   5.1797322793  -0.9879833553  -0.7614750970
N   -3.8278318338   0.6318702176   0.1729774846
N   -4.2816694169   0.8145956773   1.4170346608
N   -5.7560411782  -0.3614302421   0.2121422459
N   -1.9345747676  -2.0776883123  -1.0282767141
C   -1.3392598692   0.2400073690   0.0185733391
C   -1.1149025254   0.0420874469   1.5377958658
C   -2.5614285818   1.1607660629  -0.2604545004
C   -0.1322241204   0.8822325857  -0.6638605653
C   -0.1983544540  -1.1167206938   1.9372252860
C    1.1664856830  -1.1127118652   1.3061628578
C   -1.6462493731  -1.0595663570  -0.5780830722
C    0.5926856719   0.2472524013  -1.6644925119
C    0.2574364227   2.1590106616  -0.2636782731
C    2.0475915750  -0.0541148670   1.5156262902
C    1.5722432064  -2.1510130956   0.4765024980
C    1.6989265497   0.8618851355  -2.2335764853
C    1.3525904661   2.7793103266  -0.8430542018
C   -4.7195992105  -0.0717917992  -0.5335474399
C    2.0836232263   2.1292263820  -1.8266338438
C    3.2808462964  -0.0109205601   0.8905681171
C    2.8093671404  -2.1316101271  -0.1533184309
C   -5.4354556509   0.2000693536   1.3950018674
C    3.6480220951  -1.0515654777   0.0509192977
H   -2.0775596560  -0.1249010615   2.0219579452
H   -0.7363405201   0.9840003983   1.9387573612
H   -2.4103244871   2.1149747256   0.2397382124
H   -2.6255675293   1.3538846115  -1.3302353004
H   -0.6957798384  -2.0643584610   1.7190918341
H   -0.1022690057  -1.0781715262   3.0256531156
H    0.3187661919  -0.7436228213  -2.0023070250
H   -0.2786319713   2.6838879358   0.5178333073
H    1.7649324257   0.7655791238   2.1650631029
H    0.9082224382  -2.9885236412   0.2989340643
H    2.2627979741   0.3401871166  -2.9956807671
H    1.6387578206   3.7706199969  -0.5159840593
H   -4.5744144666  -0.3325337075  -1.5703838010
H    2.9475522273   2.6065989952  -2.2704603505
H    3.9432792804   0.8286692147   1.0513671758
H    3.1034605469  -2.9449002152  -0.8031477869
H   -6.0771749686   0.1628583151   2.2614999338
*