! 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    0.7972813305   0.3434888970   0.7797953003
O   -5.5288821397  -0.7735944733  -0.5832469613
O    2.0866628604   1.0767989043  -0.9264020343
O   -3.4907311958  -1.6029226092  -0.0994833508
N   -3.8498105511   0.6344697294  -0.4272007318
N    2.8707827093  -0.3710922473   0.6670469093
C   -2.6009358597   1.1948844496  -0.1650817243
C   -0.2767841863   1.1288993680   0.4023082444
C   -1.4548582413   0.4558866377   0.1249493599
C   -2.5212404951   2.5886768823  -0.1998144561
C   -0.1833854282   2.5088203872   0.3894761031
C   -1.3268038676   3.2287079604   0.0748259031
C    4.1953738007  -0.5887466393   0.2681868798
C    4.9028598849   0.2593949944  -0.5819152528
C    4.8348569445  -1.7059765823   0.8065350655
C    1.9492899574   0.4138963573   0.0727230625
C   -4.2229547414  -0.6680491151  -0.3442055510
C    6.2285399817  -0.0243529421  -0.8824053694
C    6.1588353957  -1.9724702683   0.5027858840
C    6.8663526128  -1.1335893624  -0.3477951172
C   -6.1305045306  -2.0739060720  -0.4780014080
C   -6.4081525810  -2.4613020343   0.9552398404
H   -1.4631993272  -0.6216773703   0.1538103915
H   -3.4028939443   3.1736390077  -0.4308829666
H    0.7396863522   3.0171064940   0.6307793791
H   -1.2877226412   4.3091427249   0.0523095201
H   -4.5867714084   1.2947628008  -0.6299547180
H    2.5541481529  -0.9177672377   1.4555116489
H    4.4471015014   1.1410848216  -1.0031829631
H    4.2919398647  -2.3679069153   1.4706635884
H    6.7669820182   0.6431882376  -1.5422512635
H    6.6357349191  -2.8426793166   0.9338605053
H    7.9003419756  -1.3405151882  -0.5881121231
H   -5.5120708038  -2.8180406977  -0.9809188081
H   -7.0606717087  -1.9849014821  -1.0357999023
H   -7.0314216855  -1.7187612292   1.4537483035
H   -5.4950716350  -2.5953542607   1.5339500871
H   -6.9483480738  -3.4083647496   0.9665581884
*