! 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   -0.3804507315  -1.2462928100   0.7254270208
O   -1.8946267496  -0.1515475946  -1.9619758228
O   -1.6993947004  -0.7933739628   2.4710069406
O    0.0289640252   2.8680235949  -1.5464475504
N   -0.6379319000   1.4820340979   0.1300928480
N    1.6348977003   1.7966300204  -0.3565238123
N    3.5077461129   0.6497790609  -0.2106797884
C   -0.3804677259   0.9733813696   1.4746465853
C   -0.8949908903   1.9131650692   2.5610616092
C   -2.0408351387   1.5811705398  -0.2704134463
C   -0.9203959471  -0.4470194515   1.6190851856
C    0.2787646377   2.1008464518  -0.6410457630
C   -0.3280871777   3.3160833362   2.4120262935
C   -2.5375894545   0.3164161332  -0.8671619063
C   -0.7126228147  -2.6452106930   0.7276232799
C    0.2959776536  -3.3401047748  -0.1568816443
C   -3.5597808128  -0.5096845554  -0.5422212280
C    1.7109501926  -3.3249838182   0.4267039190
C    2.6491770295   2.7225089316  -0.2762498315
C    2.2165141263   0.5636844312  -0.3250181290
C   -3.5464079248  -1.5629303053  -1.5079902271
C   -2.5108138651  -1.2974749132  -2.3353750423
C    3.7885081659   1.9927993284  -0.1663190487
C    2.7167333790  -3.9128707820  -0.5094282526
C    3.7553370526  -3.2549526191  -1.0114768036
H    0.6982171711   0.8896723665   1.6155031472
H   -1.9857038282   1.9478408730   2.5798678094
H   -0.5878748348   1.4956587965   3.5210702149
H   -2.1572600992   2.4129085547  -0.9636224498
H   -2.6569691423   1.8227678851   0.5952666401
H   -0.7086789330   3.8247709365   1.5249819689
H   -0.6000408412   3.9278879594   3.2712870867
H    0.7626675487   3.3066219880   2.3528911863
H   -1.7278527714  -2.7687082921   0.3462520723
H   -0.6768074083  -3.0367379758   1.7464513717
H    0.2839969257  -2.8846941510  -1.1515641973
H   -0.0364909641  -4.3725640015  -0.2869952105
H   -4.2394329641  -0.3863467728   0.2855442430
H    1.7043093616  -3.8956597631   1.3612053085
H    2.0117573740  -2.3079875673   0.6907815213
H    2.4665835958   3.7835405061  -0.2779080254
H    1.6433466607  -0.3420883802  -0.4342655174
H   -4.2150256223  -2.4060513860  -1.5673716904
H   -2.1106009935  -1.8037449586  -3.1988020010
H    4.7962017502   2.3590750746  -0.0561639448
H    2.5590044079  -4.9499548149  -0.7939155680
H    4.4504187458  -3.7286540931  -1.6929548265
H    3.9510274744  -2.2176647672  -0.7611574737
*