! 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    0.2240009890  -1.7635918908   0.4378306240
O   -2.6609339279   0.2799774900  -1.6368546643
O    0.1151695630  -0.8090760532  -1.5745569463
O   -0.3873717566   3.8749891940  -0.6979977158
N   -0.2923214176   1.6531705246  -0.2272450453
N    1.5326387686   2.7913425103  -1.1905365702
N    3.5207219903   3.6055016687  -1.6847930733
C    0.5205055106   0.5842266351   0.3473164344
C    0.4217914234   0.5310457665   1.8741282040
C   -1.7150997044   1.6463314679   0.1314322674
C    0.2374870415  -0.7323767960  -0.3754651162
C    0.2144742122   2.8201553307  -0.6803416076
C    0.7572708948   1.8658258750   2.5211290600
C   -2.4006055419   0.4109848468  -0.3132374790
C   -0.0290263675  -3.0677175106  -0.1110943162
C   -0.2883733270  -4.0138869739   1.0366819029
C   -2.8425118006  -0.6845338594   0.3513571884
C    0.9035777844  -4.1991180605   1.9756493856
C    2.1506961206   1.8514239720  -1.9908820185
C    2.4075409738   3.8300613679  -1.0562917245
C   -3.4014913812  -1.5552711116  -0.6317482998
C   -3.2554880967  -0.9189698216  -1.8163195355
C    3.3663145407   2.3770822165  -2.2806627634
C    0.6172204936  -5.2137839950   3.0356168829
C    0.6413976855  -4.9783164170   4.3420216849
H    1.5688880042   0.7928628285   0.1207847946
H   -0.5603813075   0.1867851055   2.2026339685
H    1.1362287427  -0.2161450295   2.2204750486
H   -2.1863113523   2.5171827041  -0.3188370915
H   -1.8399038176   1.7488155174   1.2106770679
H    0.0354636143   2.6486216187   2.2828319798
H    0.7670547826   1.7629127055   3.6057596122
H    1.7454198810   2.2201013554   2.2217809510
H    0.8359015735  -3.3851315403  -0.6990168347
H   -0.8955513375  -3.0245118906  -0.7729893630
H   -0.5560634026  -4.9763927624   0.5935009555
H   -1.1638845046  -3.6774750838   1.5986566917
H   -2.7750394400  -0.8554874053   1.4136490588
H    1.1812631943  -3.2496670766   2.4388949574
H    1.7644512975  -4.5298914934   1.3844085743
H    1.6691546776   0.9429229664  -2.3077782723
H    2.1770866569   4.7042520947  -0.4690577850
H   -3.8479780219  -2.5230532940  -0.4738098261
H   -3.5271963602  -1.1771595722  -2.8269804122
H    4.1383403460   1.9413396825  -2.8935950558
H    0.3620368223  -6.2104499238   2.6846549542
H    0.4176973464  -5.7542916004   5.0627548230
H    0.8874514180  -4.0009529485   4.7414449515
*