! 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   -0.4996404128  -2.6074973646  -0.7647873439
O    2.5313572752   2.7163425440  -0.0191237182
O    0.4808492459   3.4512350772   0.4932257445
N   -0.7834833426  -0.3846125480  -0.4028013859
N    1.2769135372  -1.2328223479  -1.0872442417
N   -1.4551168370   1.6014913693   0.2346029566
N    0.8815126092   1.2761440226  -0.2000888388
C    3.3039542676  -2.3164556793  -0.1860347742
C    2.2774530248  -2.2588509222  -1.3078086062
C   -2.1746963233  -0.4584062629  -0.2200895675
C    2.7270107877  -2.6976491838   1.1702821835
C   -2.5821456179   0.8110978076   0.1804454936
C   -0.3663832869   0.9018805613  -0.1160527010
C    0.0202861650  -1.5070189545  -0.7572032720
C   -3.1076679357  -1.4717603735  -0.3812084498
C   -3.9013228995   1.1248778688   0.4429734952
C    3.7947578831  -2.7586558029   2.2520449390
C   -4.4378274931  -1.1627667765  -0.1202861589
C   -4.8326192815   0.1088962585   0.2868039564
C    1.2179131017   2.5494039812   0.1240878476
C    3.0601579557   4.0032039295   0.2858928199
H    3.8144095483  -1.3503172588  -0.1133468747
H    4.0692236095  -3.0415011987  -0.4773199120
H    1.7822747120  -3.2207817452  -1.4245246801
H    2.7794570168  -2.0473929518  -2.2527743132
H    1.9589157598  -1.9774490131   1.4660060702
H    2.2246580956  -3.6663078118   1.0929520021
H    1.5944239413  -0.2770773583  -0.9370554335
H   -2.8354119389  -2.4652184358  -0.6943958240
H   -4.1897953655   2.1201929365   0.7517830990
H    4.2915875781  -1.7939365767   2.3713781639
H    3.3697660464  -3.0303254904   3.2188792348
H    4.5633376609  -3.4956047572   2.0116238095
H   -5.1826916146  -1.9377347442  -0.2390880792
H   -5.8771265270   0.3094821443   0.4819733654
H    4.1308211932   3.9327975892   0.1149183243
H    2.6481092977   4.7757429516  -0.3636076389
H    2.8851138705   4.2761010037   1.3266899756
H   -1.4060333326   2.5766784838   0.4954338657
*