! 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  -2.5198075502   3.6828575194   0.3818835702
N   -0.7676975431  -2.4133893106  -0.7479686214
N   -0.9124870712  -3.4354422555   0.0995705926
N   -2.8959939168  -2.4960152689  -0.3406046719
N    1.6910238405  -2.2546008880   2.0141221607
C    1.2285435865  -1.0065372887  -0.2350971754
C    2.6102295831  -0.6546801275  -0.8433463088
C    0.5341790120  -2.0036352559  -1.1997719944
C    3.6062926221   0.0580232425   0.0686329614
C    0.3163536206   0.1952381602  -0.0285285780
C    3.2878669074   1.4937961215   0.4774202467
C    1.4647652088  -1.7034099648   1.0311126546
C   -0.3230013907   0.4531814263   1.1776111988
C    0.0485920482   1.0305880244  -1.1106442228
C    3.2740822142   2.4786996403  -0.6812467446
C   -1.1935510312   1.5249785953   1.3127973440
C   -0.8184129049   2.1030057005  -0.9933565333
C   -1.9584785847  -1.8566545571  -0.9942336676
C   -1.4343389329   2.3442436622   0.2245562611
C   -2.2019056284  -3.4486165445   0.3143915234
H    2.4408203927  -0.0810232406  -1.7564933508
H    3.0660472535  -1.5942095918  -1.1655988662
H    1.1461734957  -2.8950657284  -1.3253469310
H    0.4333673393  -1.5347238159  -2.1777153975
H    4.5659663967   0.0541451882  -0.4568605349
H    3.7683582807  -0.5456370971   0.9658282438
H    4.0509959939   1.8078364458   1.1946800553
H    2.3405284115   1.5424138333   1.0187128739
H   -0.1538012763  -0.1739805350   2.0433614023
H    0.5102150387   0.8580068105  -2.0747628413
H    4.2313479520   2.4822491738  -1.2071760189
H    3.0896185141   3.4948632783  -0.3295279922
H    2.4992035881   2.2505359809  -1.4138746370
H   -1.6773106301   1.7083262025   2.2623699567
H   -1.0084555108   2.7393038070  -1.8468986888
H   -2.0894961485  -1.0114763840  -1.6518794184
H   -2.6630551936  -4.1784932363   0.9614877488
*