! 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    0.8883568197   2.4040476012   0.3313149867
N   -1.1012044415   1.4759145650  -0.1925240614
N   -1.5218962098  -0.8109285015  -0.0923361265
N   -3.1506539206   0.6522304693  -0.8275318051
C    2.0734608780  -0.1581177683   0.9344509237
C    3.0353132850  -0.2646092474  -0.2502138750
C    0.6491828354   0.0457176272   0.5117113601
C    4.4795409838  -0.4873243151   0.1768118971
C   -0.2454734066  -0.9800985471   0.3264527981
C    0.2141442556   1.3776298011   0.2300824166
C   -1.9209282142   0.4076124675  -0.3517039295
C    5.4293436884  -0.6130853213  -1.0042918882
C    0.1531249066  -2.3997977818   0.5885862697
C   -4.2083008213  -0.3382772517  -0.8378866086
C   -4.9360052133  -0.4594399509   0.4893610017
H    2.3871840612   0.6709315396   1.5742140388
H    2.1610488642  -1.0572844983   1.5485618106
H    2.7182026665  -1.0851850081  -0.9024454534
H    2.9680213424   0.6469787307  -0.8518910851
H    4.7995560680   0.3390847238   0.8186465172
H    4.5399213758  -1.3903889564   0.7920317939
H   -1.4413964837   2.4065724606  -0.4026753661
H    5.1551165051  -1.4531372364  -1.6454857388
H    6.4577395715  -0.7724969341  -0.6774792329
H    5.4173784725   0.2872685181  -1.6215245892
H    1.0489143244  -2.6744554668   0.0301146233
H   -0.6454606868  -3.0825294174   0.3084944594
H    0.3772943898  -2.5587343321   1.6450394224
H   -3.4438090202   1.6149202004  -0.8857053253
H   -4.9078521360  -0.0490521707  -1.6208663229
H   -3.7862476271  -1.2960909093  -1.1328651899
H   -5.3928447502   0.4888978063   0.7755155423
H   -5.7307774055  -1.2023416371   0.4153151455
H   -4.2611393767  -0.7671408467   1.2884217730
*