! 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   -2.6435998354   1.0945024208   0.0019279514
N    0.1886492657   1.0898131891   0.0016268795
N    0.2307150465  -1.1363351224  -0.0026693836
C    1.4925263428   0.6598885218   0.0009682101
C    1.5401956286  -0.7437703535  -0.0017165987
C   -0.5252905484  -0.0065297728  -0.0003525463
C   -1.9620011024  -0.0732342822   0.0000031213
C    2.6794385547   1.3919026941   0.0026757928
C    2.7325572178  -1.4557392232  -0.0027796020
C    3.8731454212   0.6926135846   0.0016420992
C   -2.8300515704  -1.1199514647  -0.0014328323
C    3.8989547001  -0.7103497664  -0.0010714721
C   -4.1339126157  -0.5520533486  -0.0006619427
C   -3.9582983232   0.7905456581   0.0015765019
H    2.6640713324   2.4741498798   0.0049185025
H    2.7525248404  -2.5373552382  -0.0048345422
H   -2.5795065421  -2.1692057676  -0.0032575935
H    4.8090007209   1.2356834679   0.0035175710
H    4.8525107630  -1.2215618831  -0.0013600992
H   -5.0749350780  -1.0769689357  -0.0019923250
H   -4.6466322992   1.6202199279   0.0026316509
H   -0.1071068237  -2.0865747089  -0.0041391623
*