! 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    0.3510732070  -0.9638725826   0.8261604223
O   -3.4503759101   0.2058113099   0.1375985559
O   -1.3380601704  -0.7209322518   2.2728520185
O    0.6660352411   0.7931673307  -2.0788244252
N   -0.3200835075   1.5323076697  -0.1570501603
N    2.0099196127   1.4666396981  -0.3818086571
N    3.6673569359   2.5376078348   0.5982796707
C   -0.3075380583   1.2434852905   1.2808443090
C   -1.2690079071   2.1089311069   2.0823084942
C   -1.6358324450   1.5322849060  -0.7989700003
C   -0.5266204788  -0.2542213696   1.5142771718
C    0.7384740972   1.2113454989  -0.9446791595
C   -0.9870155101   3.5947777935   1.9346735462
C   -2.3682441201   0.2403818606  -0.6805322897
C    0.3323174132  -2.3946017200   0.9627696349
C    1.6000564691  -2.9502027120   0.3562863761
C   -2.1579440973  -0.9920327960  -1.2047061592
C    1.7000790222  -2.8654841464  -1.1662428211
C    3.1398040640   0.7093052322  -0.5921013702
C    2.3963297435   2.5615853919   0.3362972825
C   -3.1674389685  -1.8409380375  -0.6648629795
C   -3.9198664881  -1.0587442062   0.1430248724
C    4.1401759365   1.3783967971   0.0325012308
C    0.6908405778  -3.7118524875  -1.8757479715
C   -0.0240602206  -3.3236039634  -2.9249451147
H    0.6919057250   1.4452891874   1.6699997531
H   -2.3084802998   1.8935622261   1.8336596292
H   -1.1494704376   1.8273465252   3.1291072918
H   -1.5017663419   1.7983741127  -1.8448426281
H   -2.2291137498   2.3345880335  -0.3601895773
H   -1.1426340954   3.9530743406   0.9168161234
H   -1.6496639754   4.1681288703   2.5818737334
H    0.0368398196   3.8381750403   2.2223621053
H   -0.5605616044  -2.7882213546   0.4698149139
H    0.2795642468  -2.6578351214   2.0199418019
H    1.6601987610  -3.9993305233   0.6574049949
H    2.4612368626  -2.4555237190   0.8122416717
H   -1.3649981745  -1.2708306053  -1.8778909175
H    2.7018642831  -3.2065039463  -1.4465420249
H    1.6192437388  -1.8330094526  -1.5130350987
H    3.1281659181  -0.2179562882  -1.1375663725
H    1.7152052877   3.3556148322   0.5974967902
H   -3.3089545112  -2.8923523358  -0.8549492284
H   -4.7879794685  -1.2518636666   0.7522035651
H    5.1765181948   1.0926828176   0.1082635419
H    0.5682728948  -4.7247793447  -1.4995656624
H   -0.7227442791  -3.9887694230  -3.4158536252
H    0.0736704193  -2.3279322437  -3.3441435726
*