! 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   1.9996570385   1.2321345121   3.0162988706
Cl  -6.7107052594   0.9188809605  -2.9135842506
O    3.3425466350  -0.0878414038  -1.0887847894
O    3.7766263401   1.2716501375   0.6277246847
O   -2.5384331993   0.3836562165   1.1599809491
N    2.9211986300  -2.2664404085   0.8029798327
N    1.9317245537  -2.6689202935   1.6036957336
N    2.1001107179  -4.0211912407  -0.1710880965
C    3.0751514916   0.1235697748   0.2712343002
C    3.8434528436   1.1203443621  -1.6694474012
C    3.6500390700  -1.0541905787   1.0694546430
C    3.7408619749   2.1112442441  -0.5105468875
C    1.5707592300   0.2626516166   0.4926541123
C    5.2541597514   0.9048488077  -2.1735717945
C    1.0129393498   0.7170792395   1.6861099579
C    0.6829811412  -0.1532407052  -0.4935482769
C   -0.3557502161   0.7777282739   1.8798374614
C   -0.6907222852  -0.1210162635  -0.3236615115
C   -1.2089045401   0.3521181065   0.8719297903
C    3.0048663976  -3.0768335248  -0.2562688407
C    1.4724835640  -3.7251464927   0.9848906648
C   -3.4666267298   0.5064909803   0.1627990942
C   -3.3559648319   1.4715320832  -0.8296248438
C   -4.5737970165  -0.3263838702   0.2142764748
C   -4.3546568836   1.5933958976  -1.7812690957
C   -5.5805314986  -0.1958432248  -0.7293801257
C   -5.4604021658   0.7592553819  -1.7253813663
H    3.1908682340   1.4132690281  -2.4959354250
H    3.5966013148  -0.8632476291   2.1384607399
H    4.6973132839  -1.1938084511   0.8019275010
H    4.5771081997   2.8080329224  -0.4580964174
H    2.8102148360   2.6878725003  -0.5509026465
H    5.9440785122   0.6862559901  -1.3566916337
H    5.2947735204   0.0806936680  -2.8864704192
H    5.6091245634   1.8001299862  -2.6851778993
H    1.0709691797  -0.5299056389  -1.4288716669
H   -0.7645917643   1.1417627069   2.8130401080
H   -1.3329621596  -0.4738177801  -1.1195464627
H    3.7300333434  -2.9471402187  -1.0435117284
H    0.6547989760  -4.3063207704   1.3820572322
H   -2.5021774451   2.1356752806  -0.8691360825
H   -4.6566875361  -1.0714128153   0.9948880061
H   -4.2674365140   2.3431384406  -2.5552841928
H   -6.4455659953  -0.8431554678  -0.6850360813
*