! 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  -0.0377141171  -0.4681505715   2.0602650712
Cl   4.4591809766  -0.9687220514  -0.7254358296
O   -2.0463744115  -0.8560868650  -1.9502298759
O   -2.2461944659  -0.8877490778   0.2541184371
N   -1.4709953396   1.9605605949   0.2938828463
N   -0.2639991064   2.5299140480   0.3094567354
N   -1.3340226504   2.9065349046   2.2405358547
C   -1.5541205323  -0.2706632449  -0.7786479623
C   -1.9348479794   1.2083177871  -0.8400145777
C   -0.0379784573  -0.4729458736  -0.6876869799
C   -2.3395055969  -2.2146544744  -1.6469327803
C   -2.3665709418  -2.2517184590  -0.1125061848
C    0.6921908117  -0.5665891383   0.4957505308
C    0.6816092333  -0.5180923436  -1.8805364671
C    2.0717187273  -0.7289638784   0.4882255063
C    2.0565989641  -0.6629093172  -1.9165306713
C   -2.0972829301   2.1918132562   1.4509877232
C    2.7422963916  -0.7743301796  -0.7195412758
C   -0.2243608076   3.0803658077   1.4957348915
H   -3.0211715240   1.2894255293  -0.8929039883
H   -1.5196518300   1.6600930021  -1.7400667540
H   -1.5780551722  -2.8825279824  -2.0565846228
H   -3.3001886361  -2.4668356046  -2.0963812642
H   -3.3011800526  -2.6365597478   0.2937432367
H   -1.5431322797  -2.8465957976   0.2940083248
H    0.1557708529  -0.4384305479  -2.8225064260
H    2.6122098323  -0.8091647950   1.4213303252
H    2.5762109985  -0.6921540627  -2.8644284545
H   -3.0915403447   1.8309164606   1.6640359554
H    0.6346166531   3.6402833859   1.8326612052
*