! 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    1.9733646555   1.5270164523   0.5100314925
O   -0.6380875650   2.6637984522   0.8125514450
N    1.9394952527  -0.6544622792  -0.1683571132
N   -0.0175434939   0.4883072121   0.1486825002
N   -2.1047408527   0.9589648934   0.2585342325
N   -0.7027085696  -0.6432364840  -0.2147172780
N   -3.3025996013   1.6105341553   0.4403587122
C    3.3801371381  -0.9404236367  -0.2281827963
C   -3.0522924344  -1.2894596625  -0.4586358426
C   -1.9509274089  -0.3391455054  -0.1422601681
C    3.4931604134  -2.3942999757  -0.6763599494
C    4.0718415707  -0.0420928713  -1.2513128144
C    4.0242692782  -0.7852072689   1.1478171764
C    1.3935203405   0.5086250377   0.1821766182
C   -0.8639540964   1.5264828668   0.4559889932
C   -3.9226773156  -1.5744483538   0.7639154617
C   -3.8771912013  -0.8196390947  -1.6553712874
H   -2.5476630679  -2.2168114812  -0.7385485903
H    1.3081064502  -1.4030301574  -0.4133778459
H    3.0417995764  -2.5462739638  -1.6586304594
H    4.5407417011  -2.6853834120  -0.7450923624
H    3.0066697633  -3.0688672788   0.0306114755
H    4.0227394600   1.0094806690  -0.9745742690
H    3.6261160475  -0.1580054393  -2.2401742405
H    5.1255706818  -0.3130440216  -1.3286186423
H    3.5449530863  -1.4351319348   1.8811945987
H    5.0775419088  -1.0637561532   1.0960520681
H    3.9732662694   0.2391754355   1.5122042330
H   -4.4738119512  -0.6914680390   1.0824112254
H   -3.3263475637  -1.9298950320   1.6046936097
H   -4.6471941428  -2.3519370608   0.5211298582
H   -3.2484896548  -0.6404697693  -2.5279785984
H   -4.4270155174   0.0936207238  -1.4344623098
H   -4.6009410239  -1.5896025265  -1.9228334509
H   -3.3633533782   1.9328451938   1.3987191953
H   -3.3390499403   2.4165325968  -0.1720940255
*