! 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  -0.2081513603  -0.9639074553   2.2977774009
Cl   0.5388336587  -5.2164050535  -0.8227332247
O   -0.7389486304   1.2359232259   0.4373848484
O    0.3667539316   1.3997167675  -1.5060882543
N    1.7108466706   2.7120187620   0.5746150552
N    1.1423469373   3.3413440622   1.6050026191
N    1.9543494714   4.8217411756   0.1336181497
C    0.3994196575   0.8036258095  -0.2443863389
C   -1.5663588781   2.0051545167  -0.4294125239
C   -0.9862390108   1.6988550484  -1.8010426576
C   -3.0316849516   1.6607440448  -0.2360154644
C    1.6810082649   1.2800718643   0.4513909972
C    0.4142761171  -0.7204545936  -0.3558241868
C   -3.3915194244   0.1827899075  -0.3299552591
C    0.1529426858  -1.5709729455   0.7171957920
C    0.7363488145  -1.3139338425  -1.5726492714
C   -4.8903544877  -0.0384032260  -0.1876356702
C    0.1871942907  -2.9510343921   0.5823885081
C    0.7774862132  -2.6883645379  -1.7363529470
C    2.1841625570   3.6059527429  -0.2977080814
C    0.4968924801  -3.4975967405  -0.6503031699
C    1.3151351459   4.6013209325   1.3002387444
H   -1.4249180091   3.0687334171  -0.2008117192
H   -1.4794458452   0.8529820675  -2.2927990345
H   -1.0168281026   2.5537332305  -2.4755624372
H   -3.5963083817   2.2319998149  -0.9810315640
H   -3.3535748964   2.0463383126   0.7358237444
H    2.5470666480   0.9601378490  -0.1280682490
H    1.7709081353   0.8465680736   1.4451336014
H   -2.8648639118  -0.3738555714   0.4482879423
H   -3.0605516178  -0.2371494714  -1.2834851415
H    0.9612251853  -0.6904251181  -2.4265740134
H   -5.4464174662   0.4807518809  -0.9711802943
H   -5.1443800120  -1.0973837407  -0.2528672697
H   -5.2592211769   0.3274546134   0.7729981139
H   -0.0234083581  -3.5864065730   1.4315401377
H    1.0273640604  -3.1131938325  -2.6985330426
H    2.6895022968   3.3276580386  -1.2089808755
H    0.9703872525   5.3944616286   1.9456900157
*