! 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   -0.8505945393  -2.7428080236  -0.6039542539
O    2.5765813009   2.3080650877   0.2439146169
O    0.5699706023   3.2552899284   0.5357228251
N   -0.9660262981  -0.4901689249  -0.3394346975
N    1.0674370044  -1.5387208103  -0.7790592699
N   -1.5083259041   1.5731814563   0.1695912876
N    0.8167649754   1.0298413509  -0.0617978875
C    2.9884640164  -2.6748593847   0.2778433966
C    1.9912389185  -2.6536989501  -0.8719305692
C   -2.3685569372  -0.4374924496  -0.2670875011
C    3.9256873083  -1.4726496316   0.3066272402
C   -2.6923363128   0.8783500260   0.0544404001
C   -0.4623356144   0.7693062072  -0.0661667611
C   -0.2364891869  -1.6907970920  -0.5775448153
C   -3.3744944595  -1.3723419463  -0.4624854762
C   -3.9937590944   1.3162971646   0.2016501020
C    4.9180871513  -1.5358733192   1.4569523929
C   -4.6873031265  -0.9384789100  -0.3165553801
C   -4.9975383480   0.3787344604   0.0114188669
C    1.2466609790   2.2758965093   0.2588654554
C    3.2035680731   3.5454415867   0.5646167691
H    3.5818216158  -3.5888177417   0.1820886058
H    2.4477609917  -2.7538235821   1.2258364245
H    1.4226990984  -3.5806346519  -0.8943774071
H    2.5256593063  -2.5873358451  -1.8225478810
H    4.4667066226  -1.4173190628  -0.6427951630
H    3.3554141780  -0.5423663852   0.3871095909
H    1.4426187550  -0.6012397644  -0.6454085557
H   -3.1726813174  -2.3983689898  -0.7178867968
H   -4.2128332126   2.3449638165   0.4517167291
H    5.5377529181  -2.4323634062   1.4000631102
H    5.5853140285  -0.6733052210   1.4525980486
H    4.4060660935  -1.5499311365   2.4206984736
H   -5.4870087610  -1.6513150273  -0.4638845693
H   -6.0314949154   0.6766208630   0.1174122173
H    4.2723807940   3.3609640918   0.5027443980
H    2.9366369006   4.3295280717  -0.1441584745
H    2.9579224413   3.8741628453   1.5745299741
H   -1.3964211159   2.5514920403   0.3974595861
*