! 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  -0.4157257688  -2.3157765223  -2.0408114810
Cl  -4.4392584877  -1.3947530340   1.3743953788
O    3.4372414260  -0.7918161362   0.2269270063
N    2.1581957575  -1.1152944659   0.5569459642
N    2.2761279939   3.6993600375   0.2818307265
C    1.5384751418   0.3780326134  -1.3291438038
C    1.2847763125  -0.5815810958  -0.1945667007
C   -0.1228764965  -0.8275975111   0.1974717856
C    1.3497058554   1.7862009539  -0.8293055248
C   -0.9974065520  -1.5649766434  -0.5949009066
C   -0.6206223056  -0.2813734196   1.3765392463
C    0.1220539128   2.4305772691  -0.9156112137
C    2.3914373154   2.4762191073  -0.2158717309
C   -2.3249202312  -1.7493694207  -0.2466424802
C   -1.9425444876  -0.4494539276   1.7527787446
C   -2.7837189286  -1.1792009886   0.9297028659
C   -0.0100014837   3.7091393971  -0.3983711930
C    1.0950779544   4.2993901628   0.1927623680
C    4.3431649920  -1.4920297300   1.0590726616
H    2.5378353723   0.2443708617  -1.7407820198
H    0.8313838770   0.1837604955  -2.1360057665
H    0.0391971948   0.2947561926   2.0114341100
H   -0.7219889738   1.9424059626  -1.3879519648
H    3.3679973894   2.0111881448  -0.1271679877
H   -2.9830924629  -2.3319314030  -0.8760355180
H   -2.3066202630  -0.0122874789   2.6719975139
H   -0.9502211175   4.2405068533  -0.4533126443
H    1.0252887325   5.2985648085   0.6076636431
H    4.1992264163  -1.2448457409   2.1132693682
H    5.3397533269  -1.1765747509   0.7553380480
H    4.2600428487  -2.5736132949   0.9297502222
*