! 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   0.7440452816   0.6173838344  -2.1341405115
Cl  -5.2571801120   0.4201320978  -0.0844915642
O    0.8417421962  -0.3853678145   2.2887498212
N    1.3973312147  -3.8397968970  -0.0135854128
N    3.1779517832  -2.5271012908  -0.8247300645
C    0.6706904133  -0.2571241356   0.8925515151
C   -0.8264970159  -0.1313298731   0.5891117441
C    1.3464993166   1.0586921124   0.5004428003
C    1.3384634979  -1.4702043617   0.2571762219
C   -1.5619761836   0.7686590530   1.3599004379
C   -1.4912714158  -0.8509003002  -0.3953949745
C    1.3856830620   1.5375418850  -0.8111491411
C    1.9215371761   1.8648034153   1.4817712206
C    0.8039341577  -2.7421442427   0.4306580175
C    2.5711491572  -1.4354551095  -0.3782734423
C   -2.9193255623   0.9469688226   1.1589245185
C   -2.8538714204  -0.6903412050  -0.6053489038
C    1.9559786124   2.7611715017  -1.1286342354
C    2.4939285343   3.0902475149   1.1773537878
C   -3.5583336571   0.2090132605   0.1742223891
C    2.5090600476   3.5445246846  -0.1300931827
C    2.5559360494  -3.6768105642  -0.6314639937
H   -1.0764661879   1.3530993574   2.1309493669
H   -0.9639725651  -1.5488094004  -1.0302638851
H    1.9207747782   1.5361606547   2.5098482682
H    0.2834861961  -1.1025905197   2.6113132338
H   -0.1402436359  -2.8910079544   0.9458400233
H    3.1046383146  -0.5035280732  -0.5266948802
H   -3.4693734338   1.6529566419   1.7663877412
H   -3.3506878965  -1.2641638380  -1.3757521690
H    1.9669081287   3.0982859850  -2.1563289736
H    2.9266585331   3.6865714034   1.9695218983
H    2.9496713300   4.5002968235  -0.3802724541
H    3.0449260656  -4.5703057637  -1.0014587268
*