! 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   -4.5817559723   0.4818415331   0.1403513731
O   -1.2623644976  -0.4354949990  -0.7788793781
N   -2.2378854714   1.6412851087  -0.4229233673
N   -2.1313030243   2.6517582856   0.4427888427
N   -2.4837112362   3.4265612328  -1.6323396516
C   -3.7550053330  -1.6982932852   0.6813000175
C   -3.5623478694  -0.4321205838  -0.1833853666
C   -2.1895260129   0.2549331947   0.0041508530
C   -2.6363131618  -2.7168328061   0.4500777884
C   -3.8132180223  -1.3568043122   2.1716506261
C   -5.0789265571  -2.3458971485   0.2646706539
C    0.0661680927  -0.3704663016  -0.4886028828
C   -2.4546941018   2.1165879029  -1.6514801746
C    0.6342755683   0.5029170488   0.4301083051
C    0.8763549034  -1.2607704047  -1.1872668279
C   -2.2797230887   3.6967265984  -0.3282800534
C    2.8359802254  -0.4079750993  -0.0470136505
C    2.0059746607   0.4722832139   0.6414187954
C    2.2403871639  -1.2737524720  -0.9681168653
C    4.2939267102  -0.4197265027   0.1823716373
C    5.1817417055  -0.6408397142  -0.8724668109
C    4.8208551815  -0.2043489140   1.4576141539
C    6.5522934666  -0.6451796777  -0.6595152402
C    6.1913938845  -0.2064530715   1.6702486812
C    7.0636825788  -0.4267418096   0.6126987954
H   -3.6290431843  -0.7319121267  -1.2386145891
H   -1.9061925436   0.2818116464   1.0599406770
H   -1.6749937750  -2.3972409709   0.8538683574
H   -2.8914808038  -3.6504010378   0.9554657881
H   -2.4992504551  -2.9474014129  -0.6077038201
H   -4.6381330829  -0.6862382081   2.4132746719
H   -2.8902271253  -0.8981109756   2.5338256385
H   -3.9570701216  -2.2702307768   2.7531570304
H   -5.9331228581  -1.6940378347   0.4466748967
H   -5.2429279646  -3.2660531616   0.8289555284
H   -5.0768829581  -2.6094650606  -0.7959403732
H   -4.8099364894   0.9933241065  -0.6416496491
H   -2.5760462969   1.4910098604  -2.5221046381
H    0.0476083935   1.2271762071   0.9778414955
H    0.4317676245  -1.9489559487  -1.8945877751
H   -2.2382795000   4.6991851438   0.0662076325
H    2.4288141711   1.1771609644   1.3456202626
H    2.8454940916  -1.9894732397  -1.5100501859
H    4.8019228045  -0.7903562382  -1.8754526629
H    4.1557585836  -0.0520210413   2.2985136871
H    7.2223638955  -0.8105175320  -1.4930058068
H    6.5777179286  -0.0426409425   2.6677302751
H    8.1328577193  -0.4283693538   0.7787259570
*