! 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   -0.4406095483  -1.7679766127   0.1059247161
O   -1.0633301721   0.9920624415  -2.8743850991
N    0.8893064454   0.9162170246  -1.7692730657
C   -1.2078640679   1.1317024058  -0.5270421590
C    1.7589440829   0.9444560565  -0.6636184774
C   -0.4574902550   0.9955895743  -1.8121075685
C   -1.3130500887   0.1182978376   0.4198896993
C   -1.8843789656   2.3304601620  -0.3113547847
C    1.5707081410   1.7951007616   0.4213658889
C    2.8768699920   0.1143077007  -0.6986952695
C   -2.0438997319   0.3139517296   1.5842473376
C   -2.6061247365   2.5355586685   0.8518700546
C    2.4681729884   1.7704361385   1.4791109460
C    3.7812251199   0.1149685621   0.3504837950
C   -2.6775877042   1.5282703823   1.8030046191
C    3.5739530489   0.9329295784   1.4531470315
H    1.3221185044   0.7054949940  -2.6596318007
H   -1.8203775691   3.1172230252  -1.0521426004
H    0.7425017572   2.4880827105   0.4486800434
H    3.0333912695  -0.5395851389  -1.5477678267
H   -2.1267451281  -0.4716235629   2.3224567158
H   -3.1106819323   3.4780656429   1.0139079780
H    2.3059361779   2.4293242146   2.3217665933
H    4.6453878769  -0.5345647690   0.3076626150
H   -3.2375910770   1.6768228847   2.7163773696
H    4.2731608122   0.9255466767   2.2783922413
*