! 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   0.3051465170  -0.5307097396  -2.1629810653
Cl  -4.4523232045  -1.3905576107   0.1231583432
O    3.5630653895  -1.3465887328   0.3980324284
N    2.2382874969  -1.5961434205   0.2122490558
N   -0.5133646446   3.3816211886   0.6197252930
C    1.8690685509   0.5689873233   1.3908795098
C    1.4735457949  -0.7007269149   0.6832967496
C    0.0175139320  -0.9214989927   0.5060278082
C    1.2482137581   1.7550750742   0.7051749705
C   -0.6110877227  -0.8439979111  -0.7334919230
C   -0.7791515321  -1.1454534877   1.6251904582
C    1.7747236507   2.2618987481  -0.4766710752
C    0.0988176943   2.3592967315   1.2017243189
C   -1.9842161722  -0.9884004686  -0.8624375018
C   -2.1505314820  -1.2999939837   1.5255295219
C   -2.7397952990  -1.2159875042   0.2747065679
C    1.1476152750   3.3320483527  -1.0918750053
C    0.0044068755   3.8540690161  -0.5070484456
C    4.3364304499  -2.3663036360  -0.2048535095
H    1.5179448307   0.5147116840   2.4257128510
H    2.9515233783   0.6762845489   1.4327998866
H   -0.3166460899  -1.2060491796   2.6022228157
H    2.6678602914   1.8275480639  -0.9099582402
H   -0.3456310756   1.9957192801   2.1234739068
H   -2.4538054607  -0.9173429591  -1.8335886632
H   -2.7455067709  -1.4789178338   2.4101278353
H    1.5330893666   3.7546325443  -2.0097069785
H   -0.5117869052   4.6901716301  -0.9656523539
H    4.1764520540  -2.4130900302  -1.2845943965
H    4.1283409682  -3.3466010296   0.2304222515
H    5.3772796340  -2.1100343737  -0.0139857876
*
