! 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    3.2396031572   2.3881985901   0.6340759516
O    1.1480771136   0.8732489417   1.0041379311
N    2.0796644996  -1.0559440250   0.1227499785
N    2.6054723121  -1.7214790374   1.1561397648
N    1.6554823443  -3.1442013610  -0.2986173017
C    4.4532460837   0.9359721710  -0.8117157813
C    3.4351208583   1.0242472909   0.3472451657
C    2.0629743778   0.3842575838   0.0502613230
C    5.7853437569   1.4921673932  -0.2974820602
C    4.6905795122  -0.5111686286  -1.2521355178
C    4.0045075773   1.7546625923  -2.0245370822
C   -0.1785415808   0.6584126872   0.7258053623
C    1.5076156767  -1.9154670830  -0.7239006558
C   -0.9275983285  -0.1105346390   1.6028688123
C   -0.7773510855   1.2238748836  -0.3924968337
C    2.3330712941  -2.9626544650   0.8530428638
C   -2.9023966084   0.2509524470   0.2463690446
C   -2.2801655411  -0.3012952899   1.3659359844
C   -2.1257317675   1.0146046898  -0.6264375693
C   -4.3421092560   0.0456225836  -0.0074538674
C   -4.8191091106  -0.1340267811  -1.3073090903
C   -5.2599385267   0.0342116284   1.0443993734
C   -6.1726641206  -0.3163820200  -1.5482925090
C   -6.6136918290  -0.1479699088   0.8032703397
C   -7.0763264651  -0.3229688081  -0.4941199283
H    3.8647876661   0.5050210025   1.2144488112
H    1.7347575723   0.6299405121  -0.9643226733
H    5.7080749414   2.5319593099   0.0184950431
H    6.1571533754   0.9104243861   0.5491865015
H    6.5411217429   1.4436924491  -1.0834267194
H    4.9035436714  -1.1714155156  -0.4095146964
H    5.5546101420  -0.5484729234  -1.9181304391
H    3.8528412795  -0.9293877790  -1.8112238154
H    3.0687186987   1.3911434847  -2.4545415218
H    4.7561422910   1.6856061853  -2.8130388509
H    3.8761736927   2.8112862767  -1.7915340693
H    2.7608106112   2.4641922132   1.4654181206
H    1.0117020849  -1.6054726684  -1.6303184554
H   -0.4589781060  -0.5570473255   2.4702455638
H   -0.2095593659   1.8482634348  -1.0710191738
H    2.6348761742  -3.7771917298   1.4923799709
H   -2.8476167114  -0.9137155315   2.0550520753
H   -2.5810883599   1.4820987917  -1.4900071052
H   -4.1266639758  -0.1510621634  -2.1396826051
H   -4.9198480802   0.1914770699   2.0604060388
H   -6.5202631151  -0.4600341278  -2.5629727408
H   -7.3093887960  -0.1438993996   1.6321022906
H   -8.1325973907  -0.4625164653  -0.6824291697
*