! 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   -0.4275631158  -2.5556729919  -0.8373461908
O    2.4982995415   2.8406797889  -0.0688441130
O    0.4282584508   3.5350353453   0.4219691108
N   -0.7396340723  -0.3501384926  -0.3928430665
N    1.3509800485  -1.1610433049  -1.0339252804
N   -1.4553112122   1.6281353796   0.2237352037
N    0.8862615246   1.3536152134  -0.2144879866
C    3.2761513339  -2.4026230117  -0.0980321252
C    2.3551026613  -2.1750176193  -1.2887386902
C   -2.1280944717  -0.4538851183  -0.2023988208
C    2.5804801814  -2.9553590824   1.1383258884
C   -2.5630887493   0.8104153476   0.1866670058
C   -0.3519213609   0.9496752383  -0.1229614518
C    0.0834665154  -1.4528281340  -0.7652326852
C   -3.0389593006  -1.4911577178  -0.3374466394
C   -3.8863324551   1.0966798551   0.4593968741
C    3.5520422986  -3.1910778304   2.2854660667
C   -4.3730701939  -1.2102116439  -0.0653802484
C   -4.7947212615   0.0570025939   0.3277018703
C    1.1888270035   2.6441972894   0.0757587654
C    2.9903131699   4.1501815093   0.1976037510
H    3.7819948983  -1.4641016796   0.1507911209
H    4.0599582283  -3.0953543835  -0.4175459941
H    1.8608923840  -3.1022621805  -1.5731795191
H    2.9435217410  -1.8546761512  -2.1490134999
H    1.7987656437  -2.2654292278   1.4680951972
H    2.0766643127  -3.8922599812   0.8842379908
H    1.6574891886  -0.2059642664  -0.8599802991
H   -2.7474785314  -2.4821465811  -0.6396366338
H   -4.1933091680   2.0890656773   0.7594056044
H    3.0432846570  -3.5837161807   3.1664077466
H    4.3282424166  -3.9063066460   2.0074158628
H    4.0491931113  -2.2646145276   2.5788276634
H   -5.0997424025  -2.0048696879  -0.1643564765
H   -5.8415481428   0.2347560015   0.5319491660
H    2.5588107470   4.8893979611  -0.4776595239
H    2.8022813312   4.4513107697   1.2283818049
H    4.0630583360   4.1043694755   0.0326943429
H   -1.4323284717   2.6073125095   0.4715367975
*