! 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   -0.7698840529  -2.7103679721  -0.6699939628
O    2.5741145447   2.3858730282   0.1868631557
O    0.5587881962   3.2855707958   0.5625695605
N   -0.9297579929  -0.4622897961  -0.3816401852
N    1.1100291335  -1.4593503926  -0.9068983552
N   -1.4986632092   1.5735825019   0.2001838488
N    0.8298002555   1.0837262832  -0.1060159314
C    2.9002186749  -2.7425531441   0.2204973151
C    2.0470819742  -2.5596279512  -1.0276147925
C   -2.3298055869  -0.4403630757  -0.2729827073
C    3.8214091558  -1.5634009873   0.5126566469
C   -2.6718513266   0.8585765921   0.0942554236
C   -0.4430097534   0.7975868611  -0.0852452013
C   -0.1818568215  -1.6440211975  -0.6551914587
C   -3.3187909603  -1.3910265481  -0.4748742707
C   -3.9787397689   1.2623317375   0.2847953805
C    4.6693655527  -1.7803440017   1.7566461760
C   -4.6368334548  -0.9913635309  -0.2858102682
C   -4.9663803955   0.3081596160   0.0897666760
C    1.2449582589   2.3280776595   0.2402798955
C    3.1825070307   3.6288891880   0.5214392922
H    3.5038686557  -3.6437850188   0.0808027105
H    2.2491009985  -2.9341782245   1.0788730167
H    1.4958859756  -3.4708527657  -1.2479095408
H    2.6885721634  -2.3647356721  -1.8888594379
H    4.4728535607  -1.3964131323  -0.3503891158
H    3.2391945733  -0.6455951275   0.6372385387
H    1.4752753708  -0.5206955839  -0.7569002007
H   -3.0976844870  -2.4033716380  -0.7668916443
H   -4.2145307503   2.2780324107   0.5707123828
H    4.0457656730  -1.9100095483   2.6428629240
H    5.2947867226  -2.6696080101   1.6609598666
H    5.3291793417  -0.9318649780   1.9407471967
H   -5.4246777798  -1.7165324801  -0.4367289229
H   -6.0037734159   0.5792244680   0.2292265287
H    2.9667016170   3.9211518721   1.5493856547
H    4.2526185990   3.4751648832   0.4150441191
H    2.8702892677   4.4270130517  -0.1524372279
H   -1.4033218334   2.5466432592   0.4542113333
*