! 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   -0.0795895471  -0.9720626039   0.5430042625
O   -3.7590607647   0.5409901086  -0.1783843458
O   -1.8197197050  -0.6624158337   1.9111577066
O    0.3779180906   0.9176726785  -2.2948070765
N   -0.5247865622   1.6185187423  -0.3216178701
N    1.7885727666   1.3154043139  -0.5715339584
N    3.5516954089   2.0609156086   0.5184761701
C   -0.5480454380   1.2514052248   1.1000665514
C   -1.4215829128   2.1759750055   1.9379017152
C   -1.8291100024   1.7880344659  -0.9653586980
C   -0.9198647676  -0.2281909543   1.2382359561
C    0.4954359087   1.2424321399  -1.1340351254
C   -1.0910992888   2.0956532628   3.4213105628
C   -2.6671935200   0.5570822838  -0.9832252833
C   -0.3021541440  -2.3897374022   0.4742275040
C    0.8095724547  -2.9943047055  -0.3500516933
C   -2.5677150451  -0.6284923481  -1.6352069477
C    2.1767646513  -2.9593406147   0.3337127976
C    2.8282556745   0.4736142008  -0.8942999117
C    2.2911276726   2.2577082585   0.2791709737
C   -3.6639080833  -1.4265165697  -1.1933869758
C   -4.3484560770  -0.6648963752  -0.3093472074
C    3.8955774031   0.9417144980  -0.2007294191
C    3.2308737885  -3.5999469965  -0.5108477948
C    4.3592168947  -3.0193939159  -0.9022878200
H    0.4663647103   1.3266074665   1.4939497888
H   -1.2490615936   3.1989168098   1.5977472483
H   -2.4809832830   1.9678467688   1.7848163635
H   -1.6607290994   2.1484772650  -1.9772140556
H   -2.3593869733   2.5868218796  -0.4486089388
H   -1.2694778369   1.1040852747   3.8343362811
H   -0.0483267965   2.3555172689   3.6101044165
H   -1.7096847481   2.7974800667   3.9797710087
H   -1.2730799276  -2.5752457082   0.0105465353
H   -0.3177742374  -2.8117258873   1.4817617449
H    0.8545604257  -2.4997237929  -1.3247407847
H    0.5315404875  -4.0326998506  -0.5475252334
H   -1.8008125106  -0.9051335748  -2.3400416409
H    2.1002533419  -3.4995622372   1.2835925532
H    2.4664471694  -1.9345126326   0.5771132073
H    2.7108076029  -0.3629843906  -1.5617498163
H    1.7033354238   3.0828703285   0.6494467817
H   -3.9069064113  -2.4317618776  -1.4965978410
H   -5.2400618054  -0.8341791317   0.2723222063
H    4.8961596084   0.5415069020  -0.1770464803
H    3.0312985673  -4.6217665705  -0.8243357949
H    5.0798716933  -3.5408535296  -1.5191540431
H    4.6122077612  -2.0047092683  -0.6163208681
*