! 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   -0.5426455538  -2.5334678141  -0.2643149599
O    2.4029565277   2.9048422537  -0.0615575631
O    0.3097567098   3.6741931217   0.1181700263
N   -0.8510250878  -0.2842885484  -0.2017594538
N    1.2758330787  -1.1942445269  -0.4886499060
N   -1.5823060233   1.7707394466   0.0242921824
N    0.7843509729   1.4192255237  -0.1357023735
C    3.1582511024  -2.1910697294   0.7442663000
C    2.2837090975  -2.2354202831  -0.5016709943
C   -2.2540398106  -0.3495013251  -0.1342794093
C    4.3244074416  -3.1726202726   0.6910133196
C   -2.6976633882   0.9630007082   0.0075045571
C   -0.4655133143   1.0411180482  -0.1026158424
C   -0.0180950066  -1.4345192677  -0.3139980508
C   -3.1714821474  -1.3885772715  -0.1928584435
C   -4.0340004137   1.2986099865   0.1016542093
C    3.9048322710  -4.6355970418   0.6808952676
C   -4.5188311493  -1.0583688255  -0.0997090958
C   -4.9485132826   0.2579028500   0.0466495644
C    1.0829280114   2.7374881103  -0.0171074428
C    2.8955681567   4.2361596929   0.0541763831
H    2.5429030745  -2.3905235188   1.6265994111
H    3.5524648717  -1.1774046005   0.8602830011
H    1.7901686800  -3.1992146247  -0.6050976533
H    2.9029959375  -2.1004144664  -1.3913246917
H    4.9373695716  -2.9592881603  -0.1899573370
H    4.9666057175  -2.9913818181   1.5559392905
H    1.5799353808  -0.2235572222  -0.4422453868
H   -2.8776229192  -2.4176418751  -0.3063614728
H   -4.3457242018   2.3278391504   0.2123390015
H    3.2717696880  -4.8698350763   1.5388581911
H    3.3508422277  -4.9021010927  -0.2200853144
H    4.7751489466  -5.2911789943   0.7270204920
H   -5.2500311906  -1.8538409978  -0.1429818792
H   -6.0057064486   0.4733420923   0.1172940497
H    2.5408477582   4.8705133011  -0.7582586774
H    2.6231818823   4.6866883114   1.0086135752
H    3.9775695936   4.1581206490  -0.0046293903
H   -1.5598984891   2.7773303174   0.1144626214
*