! 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    3.0002418276   2.3671645143   0.5694579641
O    1.0820117617   0.5618568378   0.9446055144
N    2.2040976055  -1.1510599284  -0.1516659307
N    2.0498900531  -1.7835732623  -1.3197773870
N    2.6110519098  -3.2358451410   0.2944802692
C    4.5550065405   0.8951270962  -0.5014543258
C    3.3307348980   1.0041916275   0.4366665465
C    2.0518184833   0.2812522378  -0.0316383849
C    4.2098637919   1.2980039468  -1.9360343155
C    5.6379835111   1.8371990821   0.0396039583
C    5.1471357953  -0.5188063229  -0.4976955079
C   -0.2439674449   0.4378143560   0.6600042226
C    2.5398295679  -2.0291196294   0.7980057448
C   -1.1128563239   0.8115351833   1.6817165563
C   -0.7582556380  -0.0221106305  -0.5454190460
C    2.3069090138  -3.0251489782  -1.0026464206
C   -3.0222386501   0.2759502243   0.2900885109
C   -2.4791620444   0.7315200358   1.4945936187
C   -2.1339622779  -0.0963035868  -0.7153089940
C   -4.4819262457   0.1849839251   0.0909384146
C   -5.0491098381   0.4163562281  -1.1645222110
C   -5.3323777594  -0.1405846119   1.1498998415
C   -6.4189296280   0.3176687372  -1.3565255385
C   -6.7031032863  -0.2334057085   0.9594602493
C   -7.2530615227  -0.0076619333  -0.2952430543
H    3.6218562600   0.5813272933   1.4103541402
H    1.7523454482   0.6505893418  -1.0159684388
H    5.1173563340   1.3335573633  -2.5415039852
H    3.5382777742   0.5846290746  -2.4177233540
H    3.7476495668   2.2846395827  -1.9885872980
H    6.5533566870   1.7138876501  -0.5415592373
H    5.8810113474   1.6119250934   1.0808428168
H    5.3528482038   2.8860605635  -0.0191404289
H    4.5547284150  -1.2409544731  -1.0575524888
H    5.2899066095  -0.8999193262   0.5158752993
H    6.1296294153  -0.4992886443  -0.9729342941
H    2.4066059946   2.4677536907   1.3203460350
H    2.7148370017  -1.7576562698   1.8270237808
H   -0.7122133097   1.1768767695   2.6186727083
H   -0.1238755888  -0.3437423944  -1.3591394435
H    2.2681722539  -3.8160266185  -1.7344843970
H   -3.1301711304   1.0501505302   2.2986226766
H   -2.5101442711  -0.4792280834  -1.6552072395
H   -4.4179725210   0.6928488643  -1.9998499848
H   -4.9218685007  -0.3441439192   2.1309812585
H   -6.8358497774   0.5044840990  -2.3374816163
H   -7.3421924735  -0.4928949399   1.7932741114
H   -8.3219218931  -0.0842057955  -0.4446769309
*