! 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   1.6032091688  -0.4726693029   2.2782452797
Cl   4.0148471424  -3.5418975432  -1.3460100439
O   -1.3881270841   0.3155684261  -1.0021529870
O   -1.0849636345   0.0339922657   1.1801363915
N   -0.8478249592   2.7283562790   0.4377556466
N   -1.0655936952   3.0640113181   1.7106155099
N   -2.5284869294   4.0962936332   0.3668334394
C   -0.4185425277   0.3465451820   0.0035786199
C   -2.4613734522  -0.5359764350  -0.5941596937
C   -2.0621494501  -0.9271674603   0.8332196062
C    0.1538320305   1.7643699252   0.0759949556
C    0.7048209980  -0.6456440142  -0.3024572415
C   -3.7801865032   0.2068953937  -0.6889855956
C   -4.0993004739   0.6926700434  -2.0937352620
C    1.6361990270  -1.0591653905   0.6495962201
C    0.8482237688  -1.1474615879  -1.5926229901
C    2.6523886698  -1.9503246105   0.3383193237
C    1.8553362838  -2.0349319595  -1.9320304466
C   -1.7308762875   3.3451168041  -0.3520257644
C    2.7496936295  -2.4329619185  -0.9547617436
C   -2.0771610961   3.8870401699   1.6200894636
H   -2.4877865247  -1.4166007976  -1.2448952849
H   -2.8844794894  -0.8575844124   1.5457281734
H   -1.6553648217  -1.9429860075   0.8767955081
H    0.5670222987   2.0265867969  -0.8972864737
H    0.9606965533   1.8254394679   0.8025170985
H   -3.7798944084   1.0454326060   0.0142866207
H   -4.5649282777  -0.4764297469  -0.3535965366
H   -5.0550237856   1.2178650254  -2.1158672273
H   -3.3417629217   1.3811378599  -2.4704497464
H   -4.1671355212  -0.1409660368  -2.7960488791
H    0.1549230625  -0.8378196233  -2.3620297504
H    3.3568974454  -2.2594495340   1.0980149887
H    1.9354544987  -2.4057410657  -2.9445169523
H   -1.7449072340   3.2287676957  -1.4238063155
H   -2.5043527325   4.3612605446   2.4903087428
*