! 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  -0.9852935673  -1.4739606545   2.4697546998
Cl  -4.2441566927   1.1484966948  -0.8833364449
O    0.6828508574  -2.9803999735  -0.8674839033
N    1.5882960389  -2.2876414819  -0.1222678145
N    3.5500621865   2.2300469578  -1.1759679552
C    2.0519439028  -0.3249429619   1.1401035206
C    1.1357580272  -1.1871883441   0.3175792293
C   -0.2165543625  -0.6606204348   0.0132072822
C    2.2991227476   0.9913940952   0.4542342089
C   -1.2468144873  -0.7047224553   0.9432141710
C   -0.4668292141  -0.0522375630  -1.2126557014
C    1.5135737500   2.1099051852   0.7018151951
C    3.3016730215   1.1154614130  -0.5021058701
C   -2.4914941418  -0.1529966704   0.6836001309
C   -1.6991900572   0.5062589479  -1.5016500770
C   -2.7002215634   0.4511345394  -0.5444791685
C    1.7613966783   3.2802648478   0.0029889583
C    2.7900352674   3.2896852427  -0.9253422384
C    1.2767803186  -4.1585140605  -1.3780612460
H    1.6066343827  -0.1497292709   2.1227915067
H    2.9889682204  -0.8592520694   1.3021968199
H    0.3205960506  -0.0046341854  -1.9534636824
H    0.7183396794   2.0710095062   1.4368727188
H    3.9363836191   0.2641199402  -0.7305592732
H   -3.2791851928  -0.1971891606   1.4230529906
H   -1.8723417835   0.9788807300  -2.4583426711
H    1.1698074979   4.1693834181   0.1737438326
H    3.0125837911   4.1898870405  -1.4871611168
H    2.1254777987  -3.9374912489  -2.0300501044
H    0.5058645578  -4.6571773376  -1.9635420778
H    1.6036141078  -4.8302514076  -0.5805257633
*