! 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   -0.6664037424  -2.7031728633   0.5446887673
O    2.5510827807   2.5578196936   0.2881101382
O    0.5438876097   3.3974231200  -0.2349397190
N   -0.8693424382  -0.4513702481   0.3221819315
N    1.1367336160  -1.4089146844   1.0210240068
N   -1.4547824485   1.5973639813  -0.1919749593
N    0.8504611165   1.1659094506   0.3101130390
C    3.3228669046  -2.2758991057   0.3163610608
C    2.1030421002  -2.4756914038   1.2028815934
C   -2.2525991339  -0.4666822754   0.0756784449
C    3.0214048916  -2.3394214410  -1.1748362283
C   -2.6049496336   0.8413268294  -0.2462684556
C   -0.4033638554   0.8389068934   0.1493892862
C   -0.1144225349  -1.6205567617   0.6304562341
C   -3.2205665997  -1.4591208394   0.1169641284
C   -3.9009221659   1.2155952553  -0.5428416090
C    4.2642674175  -2.1253111255  -2.0247899419
C   -4.5274517332  -1.0895518106  -0.1800419610
C   -4.8666902209   0.2207859842  -0.5066231130
C    1.2386736347   2.4471239017   0.0925964877
C    3.1308707086   3.8441290581   0.0932568757
H    4.0523722443  -3.0472179299   0.5778704965
H    3.7951136432  -1.3182480040   0.5606130257
H    2.4088624703  -2.5046078707   2.2504279736
H    1.6277969668  -3.4307980585   0.9864481123
H    2.5740829594  -3.3089027256  -1.4127934310
H    2.2737079188  -1.5865245767  -1.4379461861
H    1.4840154399  -0.4533569814   0.9478501182
H   -2.9916808113  -2.4811432575   0.3659181928
H   -4.1456094482   2.2393285985  -0.7902706300
H    4.0332338639  -2.1758040316  -3.0893694299
H    4.7118370973  -1.1483199525  -1.8324936925
H    5.0240634549  -2.8808533196  -1.8166746902
H   -5.2984102203  -1.8474667291  -0.1556919722
H   -5.8946028559   0.4685430214  -0.7330007734
H    2.7206929160   4.5821482797   0.7827599706
H    4.1920675603   3.7251890783   0.2937785927
H    3.0010242574   4.1953459457  -0.9304929542
H   -1.3653371304   2.5868494960  -0.3768934302
*