! 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   0.6667216293   0.9987086495  -2.3183901103
Cl   3.5228563542   4.1440991923   0.8973784107
O   -1.2731753186  -0.2933114123  -0.5389568026
O   -0.6709269950  -0.9871231997   1.5106581989
N   -0.2202154993  -2.9428279383  -0.4670562374
N   -0.8624131658  -3.1735707717  -1.6146646140
N   -1.4270571660  -4.7033409311  -0.0785016233
C   -0.1724038297  -0.5998231228   0.2630980278
C   -2.4793247391  -0.5413614805   0.1749971612
C   -2.0042783208  -0.5203065840   1.6171855164
C    0.6224116725  -1.7901481466  -0.2931674408
C    0.7436443980   0.6142966552   0.3889995031
C   -3.5221786397   0.5000115228  -0.1696413938
C   -4.8398996660   0.2264735798   0.5415900570
C    1.1601144169   1.3750307074  -0.7025960460
C    1.2338158818   0.9756587881   1.6400651878
C    2.0103442215   2.4609219962  -0.5551953169
C    2.0842056307   2.0542469429   1.8162294843
C   -0.5708554879  -3.8581164019   0.4417107367
C    2.4629996291   2.7924431562   0.7096104039
C   -1.5703249658  -4.2378099947  -1.3364692662
H   -2.8618467704  -1.5377988969  -0.0857460681
H   -2.0371976130   0.4913670898   2.0420998813
H   -2.5545949328  -1.1939352530   2.2727775040
H    1.4297576250  -2.0402409196   0.3959069933
H    1.0710926749  -1.5503929344  -1.2548898751
H   -3.1472437645   1.4928414790   0.0953307154
H   -3.6841024546   0.4989257490  -1.2502368276
H   -5.5940220678   0.9599134134   0.2561524719
H   -5.2317853575  -0.7607029348   0.2890497090
H   -4.7394596800   0.2741337252   1.6278511461
H    0.9474250802   0.4023252079   2.5103911733
H    2.3139381958   3.0360157082  -1.4190597371
H    2.4421999046   2.3075213481   2.8043183241
H   -0.1749946157  -3.8746164734   1.4450186570
H   -2.2115159273  -4.7012413189  -2.0705055391
*