! 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    0.1639448552  -1.5087239616   0.6708032191
O   -2.7274184981  -0.3575224313   0.1567718349
O    0.2209859256  -0.4393763084  -1.2854461626
O   -0.5903679794   2.6791514400  -2.2024842646
N   -0.4676282364   1.9102888209  -0.0586035263
N    1.4639698855   2.4657148315  -1.2719551107
N    3.4954441155   2.3295548737  -2.1103942578
C    0.2223734086   0.8766315619   0.7149196445
C   -0.2264315771   0.7999099698   2.1704273046
C   -1.9325871057   1.9285346812   0.0172734329
C    0.1787296716  -0.4304323376  -0.0788060261
C    0.0544191880   2.3416472521  -1.2351387878
C   -0.0659776454   2.1248951048   2.8995015780
C   -2.5938076801   0.7549720126  -0.6107204756
C    0.1872470329  -2.7854019917   0.0043348663
C    0.0965093961  -3.8686063181   1.0517183063
C   -3.0629889727   0.5043642284  -1.8558791697
C    1.2895755886  -3.9113346005   2.0069601644
C    2.3131779469   2.9761437757  -0.3140776698
C    2.2358114235   2.0987164549  -2.3314539850
C   -3.5087504279  -0.8515796381  -1.8563817577
C   -3.2753611154  -1.3242051508  -0.6109160113
C    3.5534477811   2.8879694186  -0.8570634296
C    1.1443735960  -5.0036541596   3.0168983450
C    1.9465922612  -6.0563041002   3.1228091567
H    1.2865644423   1.1228599593   0.7512183347
H   -1.2491626477   0.4330729714   2.2636069260
H    0.4041530322   0.0564298665   2.6580276328
H   -2.2863690249   2.8423563874  -0.4530601341
H   -2.2151982169   2.0042117727   1.0665881195
H   -0.3042702664   2.0029141146   3.9556925934
H    0.9599609702   2.4917820250   2.8368319984
H   -0.7206344674   2.9047852640   2.5096678819
H    1.1093545248  -2.8747415283  -0.5742284202
H   -0.6556755550  -2.8499165993  -0.6869547050
H    0.0288009160  -4.8171118531   0.5138319994
H   -0.8370977543  -3.7653555230   1.6116983954
H   -3.0768563024   1.1960917833  -2.6817865440
H    1.3744478445  -2.9536485677   2.5288738195
H    2.2127745733  -4.0469328099   1.4372136871
H    1.9660998215   3.3897696438   0.6176930585
H    1.8198601136   1.6530800052  -3.2207084166
H   -3.9452620553  -1.3975966468  -2.6767601685
H   -3.4579544853  -2.2749594791  -0.1364577471
H    4.4854964029   3.2028209417  -0.4165848005
H    0.3003652440  -4.9133242598   3.6959226222
H    1.7805004722  -6.8219713198   3.8698706565
H    2.7979267883  -6.1944021715   2.4657590155
*