! 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   -0.4702192454  -2.5756802326   0.7854066303
O    2.5009523670   2.8136477483   0.1769456220
O    0.4536823621   3.5206399985  -0.3864701551
N   -0.7618785056  -0.3620868251   0.3680173842
N    1.3006283476  -1.1873662488   1.0770907915
N   -1.4467725535   1.6239022995  -0.2589468069
N    0.8775259591   1.3339599613   0.2552028007
C    3.2773096722  -2.3840563540   0.1961727787
C    2.2959618482  -2.2063358071   1.3465210303
C   -2.1439299943  -0.4570637062   0.1322980591
C    2.6480962379  -2.8923353854  -1.0937460254
C   -2.5594006361   0.8118769962  -0.2631187666
C   -0.3589138105   0.9373108537   0.1193329028
C    0.0446184925  -1.4728285909   0.7526579950
C   -3.0645454331  -1.4895704577   0.2334080354
C   -3.8715948210   1.1070803801  -0.5764944521
C    3.6762353031  -3.0720008406  -2.2010265389
C   -4.3877771037  -1.1994589077  -0.0792349845
C   -4.7895464183   0.0720397119  -0.4793014175
C    1.1967889793   2.6244556374  -0.0170293096
C    3.0086155119   4.1224190398  -0.0624213929
H    4.0487063716  -3.0847597057   0.5280957060
H    3.7887658658  -1.4343874405   0.0087204697
H    2.8381426318  -1.9165305086   2.2471451632
H    1.7931462115  -3.1455425958   1.5697426170
H    2.1431205928  -3.8432744495  -0.9018520559
H    1.8753827281  -2.1968390909  -1.4329768593
H    1.6151190536  -0.2309405453   0.9255611946
H   -2.7888446648  -2.4836262133   0.5404238498
H   -4.1627442361   2.1024474879  -0.8822451622
H    4.4470624519  -3.7895779335  -1.9143353364
H    3.2150869316  -3.4342168923  -3.1203708648
H    4.1753509038  -2.1293389848  -2.4330355250
H   -5.1216203871  -1.9904311084  -0.0076402712
H   -5.8281964599   0.2569903573  -0.7161769835
H    4.0740516757   4.0705474404   0.1430062907
H    2.8613865920   4.4303843328  -1.0977919928
H    2.5549173147   4.8594306719   0.6005499456
H   -1.4107901847   2.6042137473  -0.4999006104
*