! 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    0.8771887361   0.3757724258   0.8588142467
O   -5.4710566161  -0.8348488346  -0.3330919450
O    2.0908569535   0.9724604217  -0.9513959747
O   -3.4224129182  -1.6405579898   0.1298544398
N   -3.7922909066   0.5811179836  -0.2934010181
N    2.9549340128  -0.3275076260   0.7262117427
C   -2.5416993560   1.1578301552  -0.0796738350
C   -0.2102124193   1.1314749205   0.4580010491
C   -1.3881598606   0.4391560588   0.2327538567
C   -2.4689616122   2.5482657456  -0.1889120159
C   -0.1235572351   2.5090156325   0.3708129293
C   -1.2740589024   3.2070961262   0.0343001888
C    4.2628532576  -0.5748959418   0.2912211643
C    4.9451912673  -1.6140094661   0.9257610143
C    4.9150765059   0.1702618787  -0.6898953753
C    2.0008591891   0.3945242773   0.1042325310
C   -4.1600763889  -0.7167266849  -0.1401116888
C    6.2549676036  -1.9059888612   0.5862761578
C    6.2272075688  -0.1384808528  -1.0236942430
C    6.9065860192  -1.1709927011  -0.3951682199
C   -6.0493726263  -2.1423837894  -0.1873058189
C   -7.5400033384  -2.0015935450  -0.3573707272
H   -1.3917466460  -0.6354419858   0.3194850381
H   -3.3566312086   3.1163263661  -0.4385142781
H    0.8019243580   3.0305835338   0.5720411128
H   -1.2402501001   4.2849560994  -0.0461809732
H   -4.5364778163   1.2288654124  -0.5094542194
H    2.6778461110  -0.8000180700   1.5748490901
H    4.4461141426  -2.1949818702   1.6922320440
H    4.4256831792   0.9905436820  -1.1898157142
H    6.7650603639  -2.7148549684   1.0924127974
H    6.7220924963   0.4490496267  -1.7858762528
H    7.9294911146  -1.3981499748  -0.6631598916
H   -5.8101971952  -2.5435780971   0.7987660030
H   -5.6332388806  -2.8146553431  -0.9397122934
H   -8.0027335985  -2.9815627491  -0.2443354038
H   -7.8020908380  -1.6218881862  -1.3448883402
H   -7.9702700164  -1.3422632815   0.3965932928
*