! 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    4.1184960815  -0.4261973765   0.0111041662
O    3.7194866710   1.8287089038   0.0377041060
O   -1.3665138021   2.4646940869   0.0357962959
O   -4.4257484425  -0.4309513371   0.1246221901
O   -4.0335501929   1.7326800084  -0.2257534899
N   -0.5962776274  -1.5461149118  -0.0067813583
C    0.4687443675  -0.6538749355   0.0021525495
C    0.2082890674   0.7234403207   0.0144406723
C    1.7924188012  -1.1411268417  -0.0007758544
C   -0.3101389645  -2.9927670751  -0.0099995675
C    2.7896149955  -0.2103933894   0.0120671812
C    2.5404159972   1.1598659898   0.0279844208
C    1.2735992784   1.6500604703   0.0295958748
C   -1.8441509342  -1.0902341445  -0.0175641763
C   -1.1598790140   1.2504641967   0.0085508364
C   -2.1898565097   0.2407389889  -0.0197840171
C    4.7523134252   0.8516730607   0.0315349711
C   -1.5249545565  -3.8896037713   0.0086882698
C   -3.6080367518   0.6121919762  -0.0548052566
H    2.0310418392  -2.1933521921  -0.0156979752
H    0.2848759050  -3.2108848092  -0.8965050034
H    0.3056235312  -3.2081669504   0.8627198673
H    1.0710350807   2.7114792568   0.0405638773
H   -2.6122555801  -1.8451953595  -0.0345040787
H    5.3694675121   0.9673574911  -0.8607316103
H    5.3583137470   0.9451036954   0.9341243769
H   -2.1357421192  -3.7522325180   0.9004595934
H   -2.1500474384  -3.7736879378  -0.8760790429
H   -1.1651546521  -4.9175100032   0.0182286775
H   -5.3452545271  -0.1327851464   0.0605716330
*