! 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   -0.3293986967  -2.5676721107  -0.7592255424
O    2.4967707130   2.9055979932  -0.1268292350
O    0.4124668797   3.5667483300   0.3457374949
N   -0.6738125670  -0.3622592372  -0.3543230648
N    1.4321285477  -1.1518620512  -0.9748078901
N   -1.4289263859   1.6193186544   0.2030079722
N    0.9181649166   1.3781078204  -0.2269895347
C    3.4624997890  -2.1532293656   0.0064857636
C    2.4681473751  -2.1516352492  -1.1483471693
C   -2.0601174354  -0.4887196633  -0.1557826768
C    2.8671029651  -2.4514960377   1.3779948719
C   -2.5195377822   0.7783796642   0.1943200224
C   -0.3127415225   0.9533283768  -0.1234744619
C    0.1678213110  -1.4569892999  -0.7051361852
C   -2.9505948690  -1.5487522347  -0.2469229782
C   -3.8470622306   1.0477394707   0.4636410079
C    2.2411276678  -3.8334273352   1.4989813934
C   -4.2886111195  -1.2852706069   0.0231999553
C   -4.7347841843  -0.0135510781   0.3727258203
C    1.1927671659   2.6830641475   0.0233584357
C    2.9607782338   4.2329923842   0.1004239145
H    3.9695707077  -1.1843255282   0.0355161920
H    4.2342519357  -2.8923796626  -0.2270733883
H    2.0035123184  -3.1270749422  -1.2732721270
H    3.0001136539  -1.9388891299  -2.0769373488
H    3.6641193220  -2.3544113093   2.1193804892
H    2.1283133838  -1.6876358551   1.6377607542
H    1.7169257527  -0.1864766942  -0.8191305258
H   -2.6426838991  -2.5448840929  -0.5134268449
H   -4.1725116818   2.0430179951   0.7323695027
H    1.9216412783  -4.0277873747   2.5235244472
H    1.3637494456  -3.9452243368   0.8617404879
H    2.9517400921  -4.6153014477   1.2233134946
H   -4.9986117301  -2.0982877086  -0.0417095680
H   -5.7840416455   0.1504398212   0.5758796250
H    2.5063045140   4.9437670010  -0.5899333314
H    2.7752579618   4.5566169865   1.1246512547
H    4.0327542332   4.2063064412  -0.0738559433
H   -1.4215587716   2.6063251204   0.4209291454
*