! 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    2.6013220721   1.1910892333  -1.2764798253
O   -2.0594816325   1.7491580546  -0.3428371037
O   -0.2901687328   0.7174421772   1.4485169042
O    6.0431278675  -0.4459088612   1.1328889122
O   -3.6840511581  -2.4988185496  -0.7834342968
O    2.0525337198  -2.8062561242   0.8639599797
O   -5.5617263297   0.5102417968   2.2120440172
O    1.4569249114   2.0761190703   1.1691402923
N    4.3037355559   0.3960253615  -0.0926039005
N   -2.8130435425  -0.3940351980  -0.5836845284
N    2.2811367071  -0.8163703798  -0.2395399113
N   -3.7790728213   1.1468665394   0.9246005417
C    0.2477027445   1.3551245602  -0.7413240375
C    1.2845185083   1.2175761361  -1.6674625873
C   -1.0470356428   1.4786715220  -1.2338579081
C    1.0322318727   1.1643248673  -3.0235207731
C   -1.3169474885   1.4578431739  -2.5906262689
C   -0.2714809776   1.2933391753  -3.4806000208
C    0.5432031772   1.4294901767   0.7144215953
C    3.0671646138   0.2015407219  -0.4924184930
C   -2.9142198312   0.7706494477   0.0078894101
C    4.8039156342  -0.5587549525   0.6811747118
C   -3.7108326261  -1.3005572247  -0.2183818169
C    2.7943526752  -1.7567505379   0.5460350144
C   -4.6589581428   0.2229549933   1.2863480944
C    4.0832458035  -1.6875038029   1.0507902170
C   -4.6853988348  -1.0512988247   0.7348864259
C    6.8105655529   0.6994647052   0.7701604512
C   -2.6966604976  -2.7661121103  -1.7749798079
C    0.7362584881  -2.9048543502   0.3224819928
C   -5.5240920836   1.7884972042   2.8412962047
H    1.8522694186   1.0409675492  -3.7176850626
H   -2.3314308664   1.5804692968  -2.9439316104
H   -0.4698319677   1.2685030345  -4.5429645936
H    4.4985494029  -2.4563633011   1.6852992402
H   -5.4117638677  -1.7939453202   1.0298006346
H   -0.0794948983   0.8270806799   2.3899263937
H    6.3464864680   1.6234653239   1.1133001533
H    7.7696823353   0.5775529354   1.2655552402
H    6.9690819428   0.7540927871  -0.3063927315
H   -1.6891113034  -2.7261268352  -1.3608087444
H   -2.8981752089  -3.7741177425  -2.1260556699
H   -2.7626199982  -2.0729622738  -2.6124930532
H    0.7646942273  -3.0302059196  -0.7597756790
H    0.2955780242  -3.7903117208   0.7696139375
H    0.1293020217  -2.0347444951   0.5693696908
H   -4.5814150933   1.9526188570   3.3624833610
H   -5.6879028133   2.5970332943   2.1297642250
H   -6.3339265789   1.7816735535   3.5655621049
*