! 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   -0.6673437500  -2.7487082350  -0.5295706193
O    2.6085254138   2.4092317007   0.1179286994
O    0.5893138944   3.2980003893   0.5004810636
N   -0.8663335007  -0.4925170115  -0.3270039989
N    1.1864792275  -1.4756842643  -0.8273304756
N   -1.4599120195   1.5524727050   0.1931635782
N    0.8744047317   1.0819993086  -0.1112642135
C    2.7103896370  -2.9513815278   0.4642900208
C    2.1323075736  -2.5720987956  -0.8934162677
C   -2.2660245556  -0.4859748805  -0.2138065796
C    3.3564671110  -1.7966224855   1.2259138950
C   -2.6241698628   0.8190336078   0.1136464011
C   -0.3946990396   0.7823562178  -0.0733099625
C   -0.1001556571  -1.6712540537  -0.5592719482
C   -3.2408297608  -1.4568591827  -0.3859536620
C   -3.9368865920   1.2091132893   0.2941671374
C    4.4405674158  -1.0616517128   0.4502244911
C   -4.5642998986  -1.0707829094  -0.2070837554
C   -4.9109096190   0.2349988910   0.1299452798
C    1.2815283144   2.3389189076   0.1944318226
C    3.2096098059   3.6667566388   0.4087635958
H    3.4501018117  -3.7392178277   0.2947017925
H    1.9230200976  -3.3946852872   1.0798474452
H    1.6527941314  -3.4354402736  -1.3514853144
H    2.9266119508  -2.2689713567  -1.5751915647
H    2.5897380114  -1.0840222090   1.5413838062
H    3.7834832165  -2.1959132663   2.1488027540
H    1.5396316096  -0.5299198990  -0.6847625293
H   -3.0036250058  -2.4736057131  -0.6491545784
H   -4.1891164856   2.2291866988   0.5489936859
H    4.9380622695  -0.3240815653   1.0807161987
H    5.2048662596  -1.7494838128   0.0826148624
H    4.0436522254  -0.5215593725  -0.4112151126
H   -5.3423488428  -1.8108346189  -0.3354483400
H   -5.9518569414   0.4958798007   0.2628409678
H    2.8816763443   4.4430672739  -0.2829282560
H    3.0062414856   3.9862845808   1.4310633879
H    4.2798295196   3.5195212109   0.2916185436
H   -1.3758003296   2.5346826876   0.4148058434
*