! 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   -0.5471077324  -2.7347089792   0.4174460511
O    2.5261868653   2.6059351699   0.4070259681
O    0.5030189902   3.4308123535  -0.0788823365
N   -0.8141083095  -0.4804075092   0.2919215661
N    1.2571131387  -1.4248782964   0.8115309947
N   -1.4670438338   1.5771096272  -0.0938507470
N    0.8511304102   1.1868990092   0.3828716352
C    2.7745089464  -3.0794568257  -0.3203516407
C    2.1962052065  -2.5182141629   0.9740350507
C   -2.1977508920  -0.5246536997   0.0497771035
C    3.8366596510  -2.2226505092  -1.0040761094
C   -2.5926313780   0.7886476988  -0.1926312027
C   -0.3911351814   0.8330785627   0.1997808089
C   -0.0162011915  -1.6413507055   0.5064513666
C   -3.1342111649  -1.5476314363   0.0335194903
C   -3.9004148716   1.1383063483  -0.4664576672
C    3.3464904462  -0.9128390735  -1.6063151245
C   -4.4527965553  -1.2028869068  -0.2409062213
C   -4.8341176809   0.1128734801  -0.4895785641
C    1.2156134967   2.4813258411   0.2104571425
C    3.0896013204   3.9046524279   0.2514491975
H    1.9632251951  -3.3029837203  -1.0195325094
H    3.2270194410  -4.0418420751  -0.0671732285
H    3.0015457469  -2.1490278385   1.6099063755
H    1.7057869309  -3.3156165733   1.5314641498
H    4.6435492998  -2.0184511820  -0.2938290474
H    4.2851745816  -2.8234966135  -1.7992613465
H    1.5928001858  -0.4659300081   0.7633119609
H   -2.8733967531  -2.5744891604   0.2237194027
H   -4.1784237035   2.1664667925  -0.6524793516
H    2.4733203076  -1.0687052357  -2.2429286816
H    3.0744528842  -0.1745466261  -0.8523224582
H    4.1242902843  -0.4599729960  -2.2228684202
H   -5.1993024932  -1.9850437690  -0.2601559230
H   -5.8697772955   0.3409791897  -0.7008282127
H    2.9508716324   4.2867765553  -0.7599648285
H    2.6744509975   4.6154957986   0.9661330134
H    4.1530146782   3.7914680744   0.4432352340
H   -1.4112354775   2.5783895076  -0.2180375059
*