! 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    0.1550782152  -0.8884915391   1.0514920328
O   -1.5733000039  -0.3659983734  -1.8326878656
O   -1.1651634240  -0.3372458390   2.7660523919
O   -0.2293239871   2.7806415990  -1.8773380078
N   -0.5458305507   1.6420465615   0.0625437794
N    1.6021906397   2.2821728098  -0.6394864450
N    3.6767360950   1.5893162833  -0.3850952768
C   -0.1388033256   1.4090836695   1.4459475099
C   -0.7373062325   2.4308246032   2.4074345081
C   -1.9605584103   1.4278641143  -0.2431664591
C   -0.4591465370  -0.0297714809   1.8386766142
C    0.2038887791   2.2597269365  -0.8708710790
C   -0.3633019872   3.8552271631   2.0288506415
C   -2.2265609622   0.0484644920  -0.7222715458
C   -0.0929346032  -2.2899123899   1.2446586172
C    0.6520218950  -3.0459327961   0.1688143918
C   -3.0328488369  -0.9383338661  -0.2649099404
C    0.3054927684  -4.5333772629   0.2212932714
C    2.4055215722   3.3794261272  -0.8512774215
C    2.4284198865   1.2296996853  -0.3730504941
C   -2.8613686500  -2.0426058155  -1.1560709564
C   -1.9617128170  -1.6392062050  -2.0804810102
C    3.6736275322   2.9323161247  -0.6703991454
C    0.9724172008  -5.2998573053  -0.8747830908
C    1.8290298296  -6.2982012992  -0.6961679291
H    0.9453752264   1.5034584110   1.5189458937
H   -1.8227096969   2.3323375135   2.4710721774
H   -0.3520516133   2.2055041201   3.4030295865
H   -2.2900938576   2.1689226799  -0.9702114594
H   -2.5568503637   1.6020491298   0.6517083169
H    0.7180716182   3.9784924407   1.9396545676
H   -0.8172691727   4.1669296054   1.0869129027
H   -0.7070469243   4.5514488296   2.7930565364
H   -1.1667266255  -2.4779923491   1.1760338979
H    0.2441340333  -2.5874736074   2.2401089937
H    1.7294936890  -2.9118314870   0.2918719030
H    0.3838170111  -2.6448221536  -0.8122202004
H   -3.6656110801  -0.8907940729   0.6067052273
H   -0.7803201925  -4.6422232728   0.1235893880
H    0.5793888417  -4.9525357495   1.1928903773
H    2.0080095713   4.3533593856  -1.0806150628
H    2.0607968194   0.2286439493  -0.2135219160
H   -3.3387469563  -3.0073946533  -1.1048656412
H   -1.5218401973  -2.1208376426  -2.9386996144
H    4.5861947727   3.5029429890  -0.7272692292
H    0.7243021112  -4.9918221538  -1.8874030716
H    2.2794190116  -6.8145733289  -1.5342615402
H    2.1089014278  -6.6415204827   0.2934396231
*