! 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
I   -0.8005752967  -1.2799968470   1.3442590177
O    0.2706333119   2.5374762398   0.0155772052
N    0.9251588947   0.5950496385  -0.9852005169
C   -1.4049936985   0.9990171583  -0.6325866277
C    2.3240529707   0.6594714587  -0.9495055333
C    0.0145873896   1.4528183066  -0.4812136350
C   -1.9434947629  -0.1102700762   0.0146901334
C   -2.2367269778   1.7827854713  -1.4304349141
C    3.0518149453   1.7583621983  -0.4936085629
C    3.0066884179  -0.4679168005  -1.4118609281
C   -3.2825132169  -0.4424977061  -0.1496643532
C   -3.5684383487   1.4496294939  -1.6075297083
C    4.4399677206   1.7090889071  -0.5034898972
C    4.3898161467  -0.5004741674  -1.4174528592
C   -4.0891375251   0.3345012077  -0.9673718585
C    5.1186339726   0.5901137799  -0.9605998360
H    0.5535998438  -0.2455929299  -1.4041899437
H   -1.8289880094   2.6544271836  -1.9262812197
H    2.5596952805   2.6479212143  -0.1376739317
H    2.4484407082  -1.3256508950  -1.7683951264
H   -3.7054035780  -1.2967128686   0.3605712137
H   -4.1970910767   2.0605970322  -2.2404320168
H    4.9927557875   2.5685149179  -0.1473754386
H    4.8972925395  -1.3846719843  -1.7795568632
H   -5.1296063137   0.0672637483  -1.0933465957
H    6.1999509847   0.5672198316  -0.9632797610
*