! 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   6.8568787629  -0.0517065469   0.0018647377
O   -1.6234750854   0.0617521039  -1.6539876037
N   -3.3433174433   1.3889070007   0.2065532758
N   -4.1797187789   1.0940776260   1.2049555944
N   -5.3204532732   1.8361424979  -0.5703486822
C   -1.3652950909  -0.0594660600  -0.2746608165
C   -1.9731957510  -1.3310046773   0.4328194447
C    0.1559404366  -0.1618475258  -0.0030244291
C   -0.7878860653  -1.9692197839   1.1835309697
C    0.2419107361  -0.8605431819   1.3425212955
C   -2.7225311089  -2.3266134613  -0.4681737336
C   -1.9123952692   1.2331013164   0.3385394551
C    0.9546797803   1.1338686026  -0.1463564743
C   -3.0342396323  -3.6115001028   0.2981360926
C   -4.0294613561  -1.7635431929  -1.0200511952
C    2.4342068964   0.8755084546  -0.1126228415
C   -4.0368714583   1.8300139085  -0.8445251134
C    3.1087064215   0.4590850456  -1.2579879684
C    3.1612436088   1.0008991015   1.0673678922
C    4.4648661883   0.1727654985  -1.2339624027
C    4.5185471344   0.7180084853   1.1135766394
C   -5.3523339153   1.3740193363   0.6942317251
C    5.1599514294   0.3035887731  -0.0419645868
H   -2.6958139007  -0.9904523575   1.1819582758
H    0.5422077571  -0.8688313713  -0.7513448226
H   -0.3468240497  -2.7705994853   0.5820156467
H   -1.0898483284  -2.4137866423   2.1321608482
H   -0.0301805646  -0.1802688542   2.1563968190
H    1.2403961783  -1.2404462253   1.5631238412
H   -2.0746576293  -2.6060282116  -1.3105065359
H   -1.4501625802   2.0982652246  -0.1380896009
H   -1.6835894625   1.2842602623   1.4018889967
H    0.6944916717   1.8328395762   0.6521985503
H    0.6920157517   1.6172156593  -1.0918879150
H   -1.3390038968  -0.7419104394  -2.1019558907
H   -3.5869837878  -4.3088746288  -0.3340231812
H   -2.1386219056  -4.1310889316   0.6382185598
H   -3.6531589709  -3.4063461212   1.1751686620
H   -4.5437936394  -2.5109797583  -1.6279771804
H   -3.8820730015  -0.8847026430  -1.6424969512
H   -4.7048813449  -1.4894183832  -0.2064560584
H   -3.5748794114   2.1378455424  -1.7682575989
H    2.5703919304   0.3589904867  -2.1931859530
H    2.6648156088   1.3277741943   1.9730104203
H    4.9708832836  -0.1451181827  -2.1355472343
H    5.0649567823   0.8225640281   2.0411306392
H   -6.2635113653   1.2500746103   1.2581544393
*