! 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   -1.2109165592  -1.8756459119   0.2158738976
O    0.4218008268   0.4550468650  -1.8574348714
N    1.2070321467   1.2980111499   0.1145138993
C   -1.1459842078   1.1479029668  -0.2223623756
C    2.5999990046   1.2236881576  -0.0244106655
C    0.2396562934   0.9239901215  -0.7468580221
C   -1.9559969245   0.0897646363   0.1771221549
C   -1.6587423630   2.4414747646  -0.1954608587
C    3.3572082197   1.6612492127   1.0638957070
C    3.2516897727   0.7425199035  -1.1598698680
C   -3.2590957705   0.3149352265   0.5966131003
C   -2.9630581318   2.6727708180   0.2128308343
C    4.7397566550   1.6172850238   1.0217059137
C    4.6395050119   0.7040979853  -1.1862047269
C   -3.7606176985   1.6091738973   0.6066678370
C    5.3927118030   1.1365920035  -0.1056456429
H    0.8861358290   1.6542703778   1.0037799062
H   -1.0358683720   3.2705832292  -0.5062566841
H    2.8595638485   2.0372900695   1.9499999450
H    2.6994422449   0.3978310251  -2.0179609293
H   -3.8865965867  -0.5053031690   0.9165616451
H   -3.3534267139   3.6810237832   0.2234697964
H    5.3072939113   1.9602920950   1.8765628671
H    5.1320400389   0.3264234149  -2.0725467332
H   -4.7789057570   1.7799621367   0.9288081243
H    6.4730905642   1.1002043891  -0.1403460846
*