! 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   -0.1517932319  -0.3415760607   0.7998851490
O   -1.3703513747  -1.3148879956  -0.8374167870
O    6.0865405198   1.2517446959  -0.4925654895
O    4.0036222489   1.9201385117   0.0270372772
N   -2.2829491272   0.1752472391   0.6409307665
N    4.5260867853  -0.2853212690  -0.3116384364
C   -3.6146272136   0.2383578618   0.2075289698
C   -5.6646286395   1.5386571819   0.1850405042
C   -4.3284352899   1.3922090073   0.5323477793
C    3.3250871530  -0.9399877675  -0.0428671196
C    0.9911259422  -1.0504841956   0.4778200833
C   -4.2500423395  -0.7938247249  -0.4755750241
C   -6.2889742569   0.5056881608  -0.5125819081
C    2.1159289738  -0.2909156955   0.2000077925
C   -5.5831845751  -0.6418273500  -0.8325179304
C   -6.4254775518   2.7737742428   0.5641611900
C    3.3631465424  -2.3356833522  -0.0316816944
C    1.0150427265  -2.4333284276   0.5128652543
C    2.2208273406  -3.0641435253   0.2432487858
C   -1.2915356483  -0.5651056816   0.1043104006
C    4.7965492969   1.0416444402  -0.2347974073
C    6.5404564458   2.6033383052  -0.4501974451
H   -3.8265374544   2.1916313863   1.0663627421
H   -3.7362901775  -1.7088376207  -0.7238446829
H   -7.3283875764   0.5999191953  -0.8017765218
H    2.0337652102   0.7839745853   0.1897532137
H   -6.0756247762  -1.4442625676  -1.3659402185
H   -2.0193335776   0.8339282760   1.3594279033
H    4.2948232084  -2.8510710256  -0.2287004525
H    0.1344547844  -3.0109389322   0.7558487663
H   -5.7606924151   3.5854426405   0.8561202802
H   -7.0458953224   3.1263031738  -0.2597591768
H   -7.0928165729   2.5779482118   1.4054576141
H    2.2722015090  -4.1441990325   0.2571288189
H    5.3099021076  -0.8875523561  -0.5182877516
H    6.3831903208   3.0504227138   0.5306812346
H    6.0546461458   3.2134183595  -1.2109643048
H    7.6061237215   2.5627575288  -0.6545772238
*