! 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  -0.2688951139  -2.0566674623  -2.2392138321
Cl  -4.5491565285  -2.3011268540   0.9687905438
O    3.1053941774  -0.1431842760   0.5596908905
N    1.8807366797  -0.6813382059   0.7917132909
N    0.5773375455   3.9867726212   0.3630208447
C    1.2683498875   0.6351407358  -1.2011033594
C    1.0126679813  -0.3274436959  -0.0671278159
C   -0.3533490183  -0.8399710313   0.1778694697
C    1.5001329329   2.0318564539  -0.6814455510
C   -1.0440940719  -1.6039693551  -0.7598566897
C   -0.9962085781  -0.5599858394   1.3811542138
C    2.7405569210   2.6523230232  -0.7473460528
C    0.4555648931   2.7559175761  -0.1140406531
C   -2.3313966320  -2.0593213980  -0.5308644449
C   -2.2824718300  -1.0022929178   1.6391608835
C   -2.9404690936  -1.7447585421   0.6730953471
C    2.8780566282   3.9430479003  -0.2626177649
C    1.7691691779   4.5662997439   0.2871530861
C    3.9985040289  -0.4919844202   1.5995905710
H    2.1296749021   0.3093031215  -1.7873980433
H    0.4126546477   0.6434830402  -1.8753165787
H   -0.4805178206   0.0276378392   2.1289237441
H    3.5884858651   2.1368926817  -1.1804374269
H   -0.5356921287   2.3159217060  -0.0486981713
H   -2.8435492976  -2.6564820344  -1.2724397696
H   -2.7609582852  -0.7646975367   2.5789256585
H    3.8281441996   4.4581597941  -0.3051645361
H    1.8448053360   5.5746295306   0.6782921532
H    3.6678000770  -0.1014389657   2.5647009880
H    4.9530998504  -0.0359620517   1.3440805855
H    4.1316100678  -1.5731912569   1.6772544173
*