! 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   -0.7270584556  -2.5623493509   0.3604372490
O    2.4203068359   2.7561344021   0.2127827744
O    0.3885366601   3.5862454770  -0.2253104650
N   -0.9515010434  -0.3086217037   0.1813418532
N    1.0980700357  -1.2684776790   0.7399086469
N   -1.5797145684   1.7524666149  -0.2219483093
N    0.7446202035   1.3345544485   0.1949899377
C    3.0758877911  -2.3889298351  -0.2174751393
C    2.0568947307  -2.3409221514   0.9120236040
C   -2.3413218809  -0.3333062618  -0.0244796886
C    4.1250102059  -3.4698047114   0.0056487861
C   -2.7205280983   0.9823949392  -0.2773639645
C   -0.5081822136   0.9953199392   0.0544047680
C   -0.1754504292  -1.4781492721   0.4278998972
C   -3.2954439868  -1.3397812228  -0.0024966811
C   -4.0285795619   1.3514625102  -0.5221628142
C    5.1730656200  -3.5010378919  -1.0964126432
C   -4.6147103628  -0.9755816743  -0.2470869357
C   -4.9803862658   0.3427900072  -0.5047398001
C    1.1055692945   2.6332914579   0.0378116357
C    2.9732757611   4.0613862162   0.0772844085
H    3.5684289987  -1.4148396425  -0.3015881594
H    2.5583876839  -2.5623063462  -1.1655209474
H    2.5682916539  -2.1924164499   1.8651077717
H    1.5241040257  -3.2870759810   0.9857401849
H    4.6156375819  -3.3068259916   0.9696548142
H    3.6347292138  -4.4452274684   0.0734322108
H    1.4407122592  -0.3113179845   0.6851679959
H   -3.0476038856  -2.3686097911   0.1940192770
H   -4.2912415299   2.3821578435  -0.7165433556
H    4.7201746716  -3.6921531724  -2.0707786644
H    5.7058443037  -2.5506983495  -1.1620852961
H    5.9140351715  -4.2812683076  -0.9193952510
H   -5.3744765814  -1.7449732996  -0.2358043736
H   -6.0173409454   0.5852813963  -0.6921183444
H    2.8178648062   4.4643692365  -0.9237304114
H    2.5619569425   4.7535766438   0.8122676323
H    4.0398542583   3.9526647231   0.2525816338
H   -1.5159427295   2.7505917757  -0.3626081839
*