! 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    2.9580877367   2.3496628494   0.7323223227
O    1.0628948849   0.5702117962   0.9314220111
N    2.2396216716  -1.1706591088  -0.0390223391
N    2.6424306687  -1.8502727694   1.0393320911
N    2.3428121393  -3.2366581214  -0.7004324748
C    4.4898925120   1.0654874289  -0.5608727474
C    3.3271330416   1.0196540605   0.4558214141
C    2.0607981863   0.2616844143  -0.0045949256
C    5.6558611962   1.7978648861   0.1138646943
C    4.9846691456  -0.3343941263  -0.9377856800
C    4.0996898148   1.8152421809  -1.8360459391
C   -0.2546153916   0.4195072375   0.6276704779
C    2.0638510211  -2.0113796880  -1.0619756738
C   -0.7489545281   0.0151953853  -0.6056498098
C   -1.1427299460   0.7140342317   1.6588534639
C    2.6891041033  -3.0764031918   0.5927096603
C   -3.0257815636   0.2206609671   0.2170882775
C   -2.1209193785  -0.0760099635  -0.7975643419
C   -2.5047225886   0.6161365071   1.4518062498
C   -4.4817881188   0.1227329685  -0.0018345957
C   -5.0477502589   0.4817633399  -1.2268203077
C   -5.3287659373  -0.3295159481   1.0119045790
C   -6.4162919232   0.3899628564  -1.4317013882
C   -6.6976572590  -0.4183405950   0.8082225954
C   -7.2479094599  -0.0596134462  -0.4149015512
H    3.6949380228   0.5219185544   1.3639524965
H    1.7770857736   0.5770742066  -1.0134585640
H    6.5167021122   1.8253438627  -0.5565287245
H    5.4096828205   2.8266457671   0.3724199049
H    5.9702033363   1.2866429569   1.0268963018
H    5.9437043448  -0.2505671413  -1.4519371816
H    4.3172345860  -0.8540414942  -1.6242796795
H    5.1422152260  -0.9689266515  -0.0636864385
H    3.2810951104   1.3322588813  -2.3741484119
H    4.9491670437   1.8438438519  -2.5207925439
H    3.8074802695   2.8463828772  -1.6392082124
H    2.3712516051   2.3544827957   1.4947186595
H    1.7509201664  -1.6929485511  -2.0442340604
H   -0.1063830819  -0.2318979340  -1.4379290177
H   -0.7604881896   1.0346088738   2.6194675897
H    2.9821766025  -3.8964404663   1.2288494302
H   -2.4789186806  -0.4078184758  -1.7636750985
H   -3.1713581301   0.8741079465   2.2648029668
H   -4.4177549158   0.8563980536  -2.0238911714
H   -4.9150654141  -0.6343839258   1.9650066579
H   -6.8345910715   0.6805790939  -2.3864551380
H   -7.3346530755  -0.7775090462   1.6057930712
H   -8.3157742682  -0.1292973010  -0.5742474155
*