! 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   -0.4705963008  -2.6389891868   0.5041838000
O    2.5447515083   2.7187230745   0.1961202162
O    0.4828562353   3.5186915085  -0.1450940061
N   -0.7744010659  -0.3960391646   0.3160839052
N    1.2360989178  -1.2681128245   1.1089867652
N   -1.4387571658   1.6306511029  -0.1866969556
N    0.8883562099   1.2769186629   0.2810918189
C    3.2986272105  -2.3288201210   0.2482144501
C    2.2324720834  -2.2976204144   1.3336464303
C   -2.1561679142  -0.4636413678   0.0730063034
C    2.7725306846  -2.6622270019  -1.1409539078
C   -2.5598143386   0.8314891808  -0.2403797222
C   -0.3569340677   0.9102103016   0.1438135786
C    0.0217619290  -1.5333327241   0.6385012514
C   -3.0841623543  -1.4930650490   0.1170039352
C   -3.8711491755   1.1559981442  -0.5283263924
C    3.8839158050  -2.7108568700  -2.1784908564
C   -4.4061303881  -1.1734563828  -0.1709312868
C   -4.7972965308   0.1240331182  -0.4908780100
C    1.2249545342   2.5763639987   0.0872602161
C    3.0749523730   4.0294166995   0.0245355188
H    4.0465859466  -3.0696989527   0.5449816431
H    3.8183999504  -1.3652633858   0.2252576157
H    2.7003639884  -2.1063090732   2.2998433432
H    1.7352353590  -3.2625051561   1.4116409663
H    2.2516433165  -3.6236737675  -1.1130384285
H    2.0304611214  -1.9198398244  -1.4481646159
H    1.5544077710  -0.3036559736   1.0401402658
H   -2.8136604812  -2.5062410097   0.3610862967
H   -4.1574344562   2.1702165472  -0.7701692115
H    4.6300901488  -3.4667276560  -1.9267993517
H    3.4958577811  -2.9487479502  -3.1694600951
H    4.4000962288  -1.7515953305  -2.2497796864
H   -5.1471262256  -1.9606359722  -0.1448766648
H   -5.8351964949   0.3324740967  -0.7112622175
H    4.1539859714   3.9242753533   0.0855719373
H    2.8152580830   4.4490952760  -0.9464665163
H    2.7401217928   4.7056920232   0.8103941061
H   -1.3903870364   2.6251259202  -0.3590330614
*