! 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  -4.9743787443  -1.2888280158  -0.1600558096
O    1.6003980735  -0.9177251802  -1.1904324870
N    2.7996300155  -0.2881370768  -0.8174480499
N    0.1971118187   3.1732611034   1.2870016473
C    2.4830995030   0.2672727315   0.5013679286
C    1.6699763165  -0.8662877627   1.1597670281
C    1.0353760078  -1.5721631070  -0.0483575596
C    1.6438501782   1.5231408697   0.3034562919
C    3.7314514185   0.6376894123   1.2937811276
C   -0.4644997463  -1.4832625030  -0.1193414752
C    3.8824133598  -1.2558496447  -0.8558550133
C    1.5920513966   2.2073757531  -0.9043824509
C    0.9258270743   2.0685189545   1.3645229096
C   -1.2275216455  -2.5286508330   0.3903138761
C   -1.1219828879  -0.3766376723  -0.6494855320
C    0.8263652182   3.3590347617  -1.0013077882
C   -2.6130319527  -2.4774626998   0.3897485308
C   -2.5070304716  -0.3121977887  -0.6633553236
C    0.1448836069   3.8021557582   0.1193540004
C   -3.2428098173  -1.3640225660  -0.1413002505
H    2.3357490957  -1.5458304167   1.6940454049
H    0.9319539021  -0.5162819969   1.8788018585
H    1.3173987311  -2.6315398167  -0.0493339120
H    3.4454231237   1.0929743379   2.2418555900
H    4.3433021577   1.3622176588   0.7543369358
H    4.3458601786  -0.2317257205   1.5272739688
H    4.8279989177  -0.7389372028  -0.7015264159
H    3.9163321044  -1.6939019237  -1.8523985134
H    3.8126808340  -2.0698810270  -0.1239793783
H    2.1380838770   1.8411285825  -1.7627407737
H    0.9423485797   1.5911936255   2.3394540100
H   -0.7384641506  -3.4065557700   0.7954882972
H   -0.5631109653   0.4515846694  -1.0622475358
H    0.7595406217   3.9050864675  -1.9326380025
H   -3.1884608062  -3.3014257439   0.7893792387
H   -3.0038484274   0.5527524632  -1.0819803117
H   -0.4654735753   4.6972519497   0.0751552247
*