! 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   -0.5412842805  -2.6358418722   0.6564453806
O    2.5283862070   2.7016890614   0.2300780263
O    0.5020806391   3.4656911854  -0.3351633044
N   -0.8051619731  -0.4005250452   0.3513611881
N    1.2250665587  -1.2771634073   1.0890948621
N   -1.4463660863   1.6098774887  -0.2396784488
N    0.8691263055   1.2618319524   0.2816236378
C    3.2950081794  -2.3265585413   0.2520922347
C    2.2109168703  -2.3149029249   1.3201967622
C   -2.1870093914  -0.4635408340   0.1064523206
C    2.7898957451  -2.6448981880  -1.1485514022
C   -2.5753339877   0.8207031198  -0.2651101850
C   -0.3743459767   0.8945227482   0.1313843913
C   -0.0190375074  -1.5366645676   0.7025412084
C   -3.1266104727  -1.4801319256   0.1883696419
C   -3.8811836602   1.1463649447  -0.5753779718
C    3.9140206963  -2.6565965957  -2.1738486834
C   -4.4434815089  -1.1593078908  -0.1210826942
C   -4.8189041941   0.1270021255  -0.4990314053
C    1.2210079175   2.5470454437   0.0263118477
C    3.0702800224   3.9992740949   0.0038221762
H    4.0422458257  -3.0672895207   0.5502383232
H    3.8102758738  -1.3602627662   0.2489628809
H    2.6620895444  -2.1485054677   2.2992208455
H    1.7092733449  -3.2795053174   1.3653597138
H    2.2858250544  -3.6157047178  -1.1420287515
H    2.0372666112  -1.9112121524  -1.4507144082
H    1.5505815869  -0.3176803536   0.9834794516
H   -2.8682506477  -2.4841568746   0.4784139768
H   -4.1540948382   2.1525312063  -0.8625694210
H    4.6715018674  -3.4020865231  -1.9246816681
H    3.5429779780  -2.8861324924  -3.1732201825
H    4.4127397851  -1.6867624016  -2.2234283313
H   -5.1930422647  -1.9367700949  -0.0650410159
H   -5.8533401259   0.3363494843  -0.7343896648
H    2.9362526398   4.3191158941  -1.0297635219
H    2.6332251157   4.7425995241   0.6708311674
H    4.1333671206   3.9189876871   0.2132360224
H   -1.3892745756   2.5933684088  -0.4625332760
*