! 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  -5.5702772565   3.1060915115   1.8148003763
O    2.1179483073   1.3065079039   0.8797450229
O    3.7237152838  -2.4147745483  -0.9845735186
N    2.5720220082  -0.6055939682  -0.2436041256
N    1.5865746557  -2.7445254655  -0.2967882159
N    0.4796064051  -4.5147298195   0.3987908415
C    1.5964005560   0.0071645874   0.7086256105
C    3.6523998031   0.3507445928  -0.5779939806
C    2.9465825760   1.6480089575  -0.2038010698
C    0.1587540172   0.0841980587   0.1869653130
C    1.6249727153  -0.6612697377   2.0766367059
C    4.8891574938   0.1443771385   0.2952063460
C    4.0093711364   0.3574040347  -2.0570909850
C   -0.0337287723   0.6834924455  -1.1995829867
C    2.7239878364  -1.9054057143  -0.5281843327
C   -1.4591324520   0.4928145774  -1.7283635296
C   -2.5042021201   1.1353308886  -0.8604333123
C    0.4626929313  -2.8340947421  -1.0836025772
C    1.5555750301  -3.8017969764   0.5584559079
C   -2.6799942674   2.5177096651  -0.8686468464
C   -3.3002658470   0.3790067062  -0.0055330010
C   -0.2075561124  -3.9269186564  -0.6285045306
C   -3.6168843888   3.1314315176  -0.0522255272
C   -4.2437851055   0.9736215868   0.8204546593
C   -4.3930254842   2.3498002986   0.7899868809
H    3.6467183345   2.4193338999   0.1192401904
H    2.3730396775   2.0452193793  -1.0487750203
H   -0.3937605712   0.6760115225   0.9218662612
H   -0.2897153492  -0.9096523684   0.2266689227
H    2.6469010762  -0.8073701381   2.4277537580
H    1.1165123822  -1.6228731829   2.0770389137
H    1.1069060059  -0.0279531344   2.7977512081
H    5.6402637392   0.8957662431   0.0470913839
H    5.3400899208  -0.8333856302   0.1386102591
H    4.6572090867   0.2490802367   1.3560171556
H    4.5769055326   1.2631717458  -2.2787959146
H    4.6242164910  -0.4913766141  -2.3467154844
H    3.1155247052   0.3693319083  -2.6827978019
H    0.1994521831   1.7509123737  -1.1879048489
H    0.6546398307   0.2266924868  -1.9166152296
H   -1.6714304870  -0.5753639931  -1.8249861433
H   -1.5132064744   0.9094449462  -2.7369733684
H    0.2621260744  -2.1478880006  -1.8891327289
H    2.3383686610  -3.9787484099   1.2801764529
H   -2.0796894085   3.1340801308  -1.5277805400
H   -3.1909415056  -0.6987010583   0.0204155847
H   -1.1446082954  -4.3213552091  -0.9890549662
H   -3.7409421887   4.2057798922  -0.0770524099
H   -4.8531396404   0.3658563092   1.4758329299
*