! 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  -4.7662526087  -3.3117231041  -1.0016770610
Cl   0.4887382832   1.1754895543  -1.7821859566
O   -1.1484306076   2.6812954485   1.4661717554
N   -0.1220304732   0.6836640774   1.3793124468
N    2.3314330528   2.9723538758  -1.5035907509
C    0.7137337761  -1.4319998452   0.5295274822
C    0.9531630061  -0.1935333125   1.1381594926
C   -0.6501411662  -1.8689769380   0.1551672573
C    1.7946267604  -2.2681694354   0.2667776827
C    2.2468885250   0.1586605727   1.5087958495
C   -1.6239740799  -2.0979401597   1.1251194835
C   -0.9734502831  -2.1009052719  -1.1793120593
C    3.0885126209  -1.8971782381   0.5976810142
C    3.3114112206  -0.6821223043   1.2263501381
C   -0.1916814399   2.0082490034   1.1256206800
C    0.9576354892   2.6599422940   0.4259322407
C   -2.8918702457  -2.5377500508   0.7781254448
C   -2.2360140999  -2.5431061358  -1.5427162631
C   -3.1871217883  -2.7562926638  -0.5577389399
C    1.6237761969   3.6985457020   1.0632445992
C    1.3540374957   2.3698458544  -0.8751925332
C    2.6670712157   4.3389312150   0.4181557143
C    2.9908129322   3.9315680432  -0.8641423272
H    1.6137946200  -3.2267784616  -0.2033621465
H    2.4279043864   1.0880368067   2.0310128514
H   -0.9751380550   0.2914223516   1.7554316920
H   -1.3927174470  -1.9595052100   2.1748568281
H   -0.2332557520  -1.9363357451  -1.9517121653
H    3.9137764191  -2.5623250816   0.3808872321
H    4.3121545823  -0.3903919196   1.5161266693
H   -3.6326315672  -2.7153071075   1.5458425566
H   -2.4706203167  -2.7162296173  -2.5841810385
H    1.3399786522   3.9863644533   2.0673599837
H    3.2153413913   5.1377187588   0.8963801221
H    3.8029964789   4.3995571073  -1.4062727304
*