! 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    3.2745353253   2.3940469076   0.7854519630
O    1.1327409385   0.8820333007   1.0477701380
N    2.0124088994  -0.9542857217  -0.0650992505
N    1.5620384956  -1.5589199149  -1.1698861782
N    2.1293782015  -3.0754670466   0.3835191051
C    4.5473002202   0.9077304062  -0.5782493659
C    3.4258004305   1.0290269935   0.4778587967
C    2.0486802131   0.4846221971   0.0516182679
C    5.8159530359   1.5239720881   0.0234978685
C    4.8623975800  -0.5541322515  -0.9084756187
C    4.1950708727   1.6493773912  -1.8687231862
C   -0.1934210549   0.6662190490   0.7621243761
C    2.3360936549  -1.8702101497   0.8517030852
C   -0.9034893505  -0.2306850949   1.5444032617
C   -0.8248115929   1.3495122632  -0.2676856192
C    1.6619545514  -2.8232074039  -0.8556863610
C   -2.9088996099   0.2347362623   0.2675649880
C   -2.2523859255  -0.4359771996   1.2994838038
C   -2.1703428717   1.1294750734  -0.5089215647
C   -4.3440555477   0.0083541159   0.0038230378
C   -4.9071767730  -1.2606797838   0.1517335090
C   -5.1708591255   1.0575360633  -0.4025402394
C   -6.2542797463  -1.4740613508  -0.0999444498
C   -6.5178346903   0.8440656528  -0.6545832856
C   -7.0657404724  -0.4228467843  -0.5051068419
H    3.7497256879   0.4702903891   1.3695207510
H    1.7635822197   0.8746858230  -0.9287319514
H    5.7171706162   2.5921354347   0.2118640992
H    6.0871924499   1.0389093370   0.9646147298
H    6.6535933157   1.3908998518  -0.6635179999
H    5.0265646984  -1.1530955754  -0.0100030545
H    5.7809727291  -0.5992741190  -1.4962746125
H    4.0902749233  -1.0368711183  -1.5061264085
H    3.3375598325   1.2115926522  -2.3839520683
H    5.0352397041   1.5994626529  -2.5641218632
H    3.9801589860   2.7039984941  -1.6955242420
H    2.6742323662   2.4804295369   1.5326949505
H    2.7096795581  -1.6284864002   1.8339736437
H   -0.4091254865  -0.7558912180   2.3516617930
H   -0.2784692221   2.0547101382  -0.8815807104
H    1.3779386612  -3.6002915433  -1.5472213717
H   -2.7979290834  -1.1218593486   1.9347371970
H   -2.6435339144   1.6569903597  -1.3270240730
H   -4.2856712369  -2.0970855106   0.4463318020
H   -4.7662698351   2.0565527127  -0.5063291868
H   -6.6680901272  -2.4673587053   0.0141005118
H   -7.1418580888   1.6727401011  -0.9625822643
H   -8.1164081445  -0.5893955324  -0.7024598000
*