! 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 "WATER"
end
*xyz 0 1
O   -2.6217651848  -1.0256056559   0.0018429791
N    0.2310100854   1.1948440292  -0.0005569843
N    0.1891675002  -1.0315532312  -0.0020538377
C    1.5167890891   0.7183685673  -0.0003942366
C    1.5129524565  -0.6862389145  -0.0013356036
C   -0.5235683367   0.1258013372  -0.0011765022
C   -1.9615844119   0.1565987223  -0.0004755054
C    2.7283811164   1.4089744861   0.0011932123
C    2.6806742338  -1.4388664072  -0.0010404794
C    3.8964328673   0.6684816908   0.0017786136
C   -2.8480658158   1.1861435208  -0.0012705494
C    3.8727267813  -0.7347926585   0.0005876916
C   -4.1408220508   0.5927904492   0.0007767902
C   -3.9429641418  -0.7467593375   0.0025888159
H    2.7501419815   2.4912107232   0.0023067597
H    2.6637370349  -2.5205546574  -0.0018081423
H   -2.6065291245   2.2366311577  -0.0036055707
H    4.8505545302   1.1788467114   0.0037021405
H    4.8080172163  -1.2787688187   0.0016176039
H   -5.0922960744   1.0988674536   0.0004952891
H   -4.6151735749  -1.5894827420   0.0043194003
H   -0.1866087220  -1.9678715310  -0.0010808777
*