! 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  -0.7758724745  -0.5938367635   2.3170772766
Cl   1.8470017449  -4.1313142797  -0.6803895276
O   -1.7754248539   1.4351063016   0.3756576395
O   -0.4910105736   2.0572591202  -1.3255470022
N    1.7803212807   2.2323835044   0.5382208136
N    2.5969119528   1.3740716257   1.1541580703
N    3.6892836520   2.4689509120  -0.4635962124
C   -0.4591294885   1.4300037665  -0.0775406000
C   -2.6396319711   1.3383720705  -0.7552530494
C   -1.7231428861   1.7078322953  -1.9339633376
C   -3.2688181484  -0.0357032480  -0.8974083859
C    0.3806742137   2.2954376209   0.8683242748
C    0.1068755071   0.0146887749  -0.2008747994
C   -4.1697628351  -0.4312186410   0.2645742744
C    0.0003386498  -0.9407829329   0.8075587391
C    0.8033300267  -0.3506601159  -1.3481172553
C   -4.7895783425  -1.8063534752   0.0678273161
C    0.5256231138  -2.2157424552   0.6685998813
C    1.3461241098  -1.6139100511  -1.5129288912
C    2.4432483846   2.8734720601  -0.4300589123
C    1.1929093279  -2.5413505736  -0.4993125184
C    3.7288800371   1.5512309489   0.5240038933
H   -3.4256475823   2.0864132997  -0.6176660651
H   -1.5990962959   0.8689632671  -2.6277018597
H   -2.0844982576   2.5667573715  -2.4990908547
H   -2.4855452211  -0.7885421797  -1.0371617686
H   -3.8525004499  -0.0293985435  -1.8246206543
H    0.2659702698   1.9663876956   1.8982772023
H    0.0384162445   3.3287259162   0.8037795558
H   -4.9626789506   0.3141454360   0.3821271585
H   -3.5963686895  -0.4213261058   1.1940212288
H    0.9318858209   0.3672219703  -2.1460727104
H   -4.0225855031  -2.5788486440  -0.0190607496
H   -5.4326740962  -2.0778077654   0.9062101779
H   -5.3980200533  -1.8453553798  -0.8381601845
H    0.4190378831  -2.9401534843   1.4641561524
H    1.8789417044  -1.8619760632  -2.4202594173
H    1.9893624902   3.6185909538  -1.0641807736
H    4.6193964553   1.0029055855   0.7896853722
*