! 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    0.1076668444  -0.9156420640   0.9512890723
O   -1.7099152600  -0.5882769054  -1.7060063674
O   -1.0877676032  -0.4117339451   2.7678401972
O    0.0743286793   2.7346259670  -1.9103352668
N   -0.4719462259   1.6043971916  -0.0138973926
N    1.7559851455   2.1877248317  -0.4978347907
N    3.7774623885   1.4612074636  -0.0122407474
C   -0.2050096270   1.3728958425   1.4025485749
C   -0.9389382228   2.3595731364   2.3092768365
C   -1.8681060825   1.4781520988  -0.4377965656
C   -0.4711783690  -0.0792349063   1.7863699291
C    0.3870766251   2.2004510903  -0.8666294368
C   -0.6634881993   3.8031749950   1.9211299307
C   -2.2783533772   0.0719960254  -0.6697137612
C   -0.0576983894  -2.3256720051   1.1684405447
C    0.6523459093  -3.0488396902   0.0463651372
C   -3.1682287604  -0.7332774773  -0.0421871096
C    0.3486454828  -4.5374981802   0.0964044731
C    2.6005531025   3.2659400070  -0.6398669988
C    2.5281562008   1.1249532302  -0.1280413895
C   -3.1429168086  -1.9804548698  -0.7384886500
C   -2.2374936877  -1.8343514104  -1.7316509417
C    3.8325299755   2.7985379052  -0.3175845348
C    0.9961302361  -5.3579078202  -0.9737404803
C    1.7721326800  -4.9118279504  -1.9550891173
H    0.8601656370   1.5235612011   1.5858885201
H   -2.0136803451   2.1696434129   2.3246441549
H   -0.5871352128   2.1843562316   3.3265937263
H   -2.0186717793   2.0746961037  -1.3351772187
H   -2.5228373595   1.9053007012   0.3213489761
H    0.4074349197   4.0161426817   1.8946999709
H   -1.0801012107   4.0597003492   0.9457344610
H   -1.1111527403   4.4809987251   2.6470080847
H   -1.1233385119  -2.5651055001   1.1757757236
H    0.3610791510  -2.5987203257   2.1395603215
H    1.7298231397  -2.8799648524   0.1213010672
H    0.3283593875  -2.6399073118  -0.9136456943
H   -3.7702385191  -0.4726228596   0.8135256205
H   -0.7348343090  -4.6909065386   0.0350231260
H    0.6375893618  -4.9488449263   1.0696375638
H    2.2493338263   4.2428606057  -0.9250025575
H    2.1265420465   0.1337044464   0.0062079362
H   -3.7181516386  -2.8652339611  -0.5204806186
H   -1.8868776785  -2.4940551544  -2.5088261751
H    4.7576579159   3.3505312026  -0.2849932049
H    0.7885451178  -6.4224455873  -0.9191349007
H    2.1922284046  -5.5921004917  -2.6848165526
H    2.0263496945  -3.8657144183  -2.0753945849
*