! 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   -0.2219262922  -1.1730937407  -0.7323801661
O    1.1787938181   0.0703022550   1.6891649570
O   -1.5363186623  -1.0311408316  -2.5375079637
O    0.7245197966   1.1810406048  -2.1924301349
N   -0.4889165227   1.4997765201  -0.3130981771
N    1.6405553100   2.4616801845  -0.5551331796
N    3.7098984749   2.9932032662  -0.0265372953
C   -1.5889657150   0.7289228284  -0.8853492413
C   -2.4477810370   1.5591384012  -1.8308127965
C   -0.5080628969   1.7112587536   1.1350057090
C   -1.1040306130  -0.5767429891  -1.5064702266
C    0.5940008785   1.6670769015  -1.0860238492
C   -3.0544397216   2.7693194415  -1.1383585956
C   -0.0924272509   0.4940924057   1.8707620426
C    0.3614463100  -2.4116798832  -1.1613555081
C   -0.5216478957  -3.6114624846  -0.8855848218
C   -0.7496759895  -0.3503147627   2.6994079508
C   -0.8801905912  -3.7913821359   0.5890495958
C    1.5933187657   3.7433591398  -0.0535971706
C    2.9423639317   2.0676643664  -0.5205012098
C    0.1848838962  -1.3713589318   3.0516694784
C    1.3304777384  -1.0686575414   2.4012890839
C    2.8794098767   4.0476021218   0.2581936786
C   -1.7510478751  -4.9875285942   0.7995286892
C   -1.4312107841  -6.0483267092   1.5316963345
H   -2.2172791624   0.4229835830  -0.0415169828
H   -1.8629725283   1.8737728328  -2.6970013082
H   -3.2486058918   0.9221673634  -2.2079448769
H   -1.5219299896   1.9789789156   1.4280984639
H    0.1124098058   2.5636774226   1.4034730447
H   -2.2944083880   3.4686307482  -0.7877559652
H   -3.7003627291   3.3156011760  -1.8251895821
H   -3.6638691924   2.4774575289  -0.2807784919
H    1.2898671966  -2.4835031775  -0.5954267273
H    0.6187215780  -2.3563399117  -2.2205359846
H    0.0317615103  -4.4879380765  -1.2334210600
H   -1.4291795144  -3.5632956789  -1.4918704446
H   -1.7767774653  -0.2607394576   3.0155164690
H   -1.4021312544  -2.8995837543   0.9482655266
H    0.0310878354  -3.8780583965   1.1865797692
H    0.6858656230   4.3212148936  -0.0030913049
H    3.2576733594   1.0906809128  -0.8511602204
H    0.0164067256  -2.2216054153   3.6918670446
H    2.2978478115  -1.5422045832   2.3566176689
H    3.2535301133   4.9725135760   0.6661187094
H   -2.7131005554  -4.9698710903   0.2932294413
H   -2.1051949571  -6.8893375701   1.6350468022
H   -0.4824515774  -6.1201029465   2.0518637640
*