! 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    0.6211731470  -1.7727998776   0.2894171615
O   -2.5919045582   0.1143258459  -1.4654427907
O    0.2216168738  -0.7198951604  -1.6339123057
O   -0.4424816905   3.8850524975  -0.4320447852
N   -0.2275168271   1.6376386116  -0.1568266475
N    1.4944129339   2.9302766816  -1.1050230778
N    3.2089498045   2.5389050678  -2.4328490333
C    0.6625439818   0.5907657293   0.3402807061
C    0.6053593908   0.4505032684   1.8641767921
C   -1.6359710584   1.5399515504   0.2492876686
C    0.4465027615  -0.6998208409  -0.4478376600
C    0.2048472675   2.8629462782  -0.5300162488
C    0.8989153539   1.7619936254   2.5755627231
C   -2.2529271116   0.2572463820  -0.1610689121
C    0.4514014834  -3.0612948964  -0.3247812483
C    0.5713854546  -4.1068137733   0.7577765076
C   -2.5562460685  -0.8767111529   0.5169297730
C   -0.4961324933  -3.9886932418   1.8466171940
C    2.3487571722   4.0029018602  -0.9642857940
C    2.0668152207   2.0860354711  -2.0140470193
C   -3.1048812777  -1.7844976200  -0.4378686484
C   -3.0938827180  -1.1291519989  -1.6207802393
C    3.4012705873   3.7290925689  -1.7729786892
C   -0.4034714179  -5.1113972229   2.8289926089
C   -0.1211229278  -4.9720140179   4.1189093348
H    1.6911931718   0.8765241380   0.1062755079
H   -0.3522053862   0.0444767055   2.1943365388
H    1.3590387883  -0.2809113216   2.1544162342
H   -2.1781226414   2.3702452346  -0.1983566549
H   -1.7356695744   1.6508440706   1.3305822081
H    1.8649203826   2.1719841792   2.2752846016
H    0.1414882799   2.5263696520   2.3953546728
H    0.9367238068   1.6013400863   3.6526572940
H    1.2165527880  -3.2047780355  -1.0902103613
H   -0.5282107072  -3.1072320786  -0.8060290771
H    1.5684965576  -4.0697498116   1.2040887151
H    0.4896837435  -5.0794542662   0.2655411680
H   -2.4031350619  -1.0502914298   1.5700025464
H   -1.4838339113  -4.0028834742   1.3727817867
H   -0.4067206790  -3.0325612065   2.3669611400
H    2.1455005590   4.8242734368  -0.2990901851
H    1.5817495846   1.1857056412  -2.3551064456
H   -3.4570589895  -2.7878357273  -0.2632223325
H   -3.4112360451  -1.4021024434  -2.6141874099
H    4.2886734015   4.3227691593  -1.9200923609
H   -0.5680520043  -6.1091052480   2.4300922819
H   -0.0558081909  -5.8261153607   4.7806834833
H    0.0524418086  -3.9983955169   4.5633948138
*