! 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   0.5270752945  -0.0108070213   2.8960069283
Cl   3.7104332356   2.6660417744  -0.4330051415
O   -2.0998564997  -0.5375219056  -0.7326764272
O   -2.0559972993  -0.2935319905   1.4813026228
N    0.0610501814  -2.5529419026  -0.4315048021
N    1.3713741648  -2.5474267436  -0.1769485658
N    0.9924402969  -3.0712401216  -2.3199696695
C   -1.2745350515  -0.6612716922   0.3918113616
C   -3.1665294138   0.3686811974  -0.4371430106
C   -2.9027309021   0.7421113157   1.0235927553
C   -0.8905360728  -2.1359456365   0.5649694629
C   -0.0336974243   0.2174879652   0.2278433749
C   -3.1859441225   1.5551958082  -1.3805082182
C   -4.3701902653   2.4693341714  -1.0987717930
C    0.8222522655   0.5361274317   1.2795358822
C    0.3244778170   0.6693793098  -1.0388173181
C    1.9674698552   1.2945472894   1.0883993119
C    1.4669120842   1.4179336394  -1.2626892018
C   -0.1507483705  -2.8565540306  -1.7155236749
C    2.2791512227   1.7287624220  -0.1876865536
C    1.8892833540  -2.8673239022  -1.3340035267
H   -4.1063690050  -0.1863839666  -0.5307241429
H   -2.4109956137   1.7195816686   1.1094911447
H   -3.8012223530   0.7539332507   1.6388292193
H   -1.7876567777  -2.7513146940   0.4930476604
H   -0.4430865503  -2.3061996824   1.5415978161
H   -2.2519689848   2.1160483584  -1.2844675852
H   -3.2377112420   1.1973476728  -2.4116693517
H   -4.3814224935   3.3122079359  -1.7899392387
H   -5.3193133235   1.9415910073  -1.2099450219
H   -4.3395652211   2.8838825398  -0.0888881117
H   -0.3021695788   0.4298802343  -1.8857154443
H    2.6081654166   1.5354855480   1.9253201874
H    1.7123264251   1.7484942313  -2.2624177279
H   -1.1347331335  -2.9168786052  -2.1534773260
H    2.9553368761  -2.9614092511  -1.4729709035
*