! 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    3.2847147719   2.1476113428   1.2018069486
O    1.1536382845   0.5844710590   1.2064371757
N    2.0178505929  -0.9668572963  -0.2871106720
N    1.5839563232  -1.3205046218  -1.5012483634
N    2.1398033103  -3.1341765758  -0.3039640229
C    4.5495385919   0.9402961677  -0.4233298267
C    3.4347655213   0.8633649498   0.6450087026
C    2.0532300840   0.4132859583   0.1335153190
C    4.9068499196  -0.4443726335  -0.9729910830
C    4.1619667431   1.8574332709  -1.5851493896
C    5.8048878942   1.4989286646   0.2581460634
C   -0.1802691002   0.4641206772   0.8954369951
C    2.3371447866  -2.0579621077   0.4152460062
C   -0.8126455602   1.4002990081   0.0895619254
C   -0.8936834885  -0.5972473799   1.4291061594
C    1.6837110608  -2.6230580044  -1.4654610724
C   -2.9072913452   0.2106099132   0.3521074500
C   -2.1650930795   1.2679830552  -0.1772651936
C   -2.2486454900  -0.7151793921   1.1613758518
C   -4.3501266704   0.0795396260   0.0665164492
C   -4.9281543946  -1.1755760053  -0.1329721923
C   -5.1687207878   1.2079283605  -0.0111962309
C   -6.2830207923  -1.2983799686  -0.4029956002
C   -6.5235102397   1.0851292866  -0.2815042066
C   -7.0865402402  -0.1685807044  -0.4790285026
H    3.7631414020   0.1468419775   1.4147224789
H    1.7516561979   1.0037740502  -0.7352360053
H    5.8160273527  -0.3687403941  -1.5722752674
H    5.1073235569  -1.1642411707  -0.1762470635
H    4.1427347352  -0.8606337339  -1.6281874537
H    5.0040945673   1.9613460849  -2.2715715460
H    3.8914221291   2.8587370510  -1.2486974619
H    3.3285576497   1.4623038859  -2.1689903191
H    5.6798205587   2.5289146304   0.5888141637
H    6.6431760415   1.4801575682  -0.4402740715
H    6.0911178858   0.8993632769   1.1256282835
H    2.6681792129   2.0910521753   1.9392336230
H    2.7011876618  -2.0313784238   1.4300795873
H   -0.2604893249   2.2328981990  -0.3282151106
H   -0.3977851959  -1.3189953990   2.0655963136
H    1.4109274630  -3.2346994313  -2.3105284391
H   -2.6428660467   1.9964137192  -0.8198921240
H   -2.7985861197  -1.5355884616   1.6041969416
H   -4.3124354378  -2.0656165044  -0.0974386623
H   -4.7497163368   2.1914558828   0.1608883513
H   -6.7099258557  -2.2798330908  -0.5625212187
H   -7.1417810208   1.9718572362  -0.3304469693
H   -8.1432251040  -0.2643196015  -0.6908938395
*