! 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   -1.4343634982  -1.8530828562  -0.0970209037
O   -0.3183830834   0.2982418088  -2.5077327421
N    1.6588669787   0.6440920579  -1.4997135463
C   -0.4051830608   1.0293527817  -0.2645025733
C    2.5293807129   0.9340724538  -0.4305684158
C    0.3106310018   0.6083829071  -1.5071816398
C   -1.2636067449   0.1784030868   0.4248222792
C   -0.2837237889   2.3512509226   0.1559080574
C    2.3521895304   0.3851915298   0.8355258768
C    3.6236211609   1.7571376913  -0.6788920947
C   -1.9869226236   0.6362314685   1.5173620633
C   -1.0135339915   2.8188558490   1.2358253141
C    3.2448508834   0.6947842200   1.8509210879
C    4.5243285801   2.0422724381   0.3356080822
C   -1.8644644009   1.9599585865   1.9151973739
C    4.3332786602   1.5214588082   1.6080823687
H    2.0933117630   0.5191208935  -2.4054581887
H    0.3828736833   3.0211752896  -0.3724275262
H    1.5337718629  -0.2932646986   1.0354605598
H    3.7670965050   2.1772425057  -1.6665703817
H   -2.6441883886  -0.0272524696   2.0622015079
H   -0.9149247965   3.8497204562   1.5465542994
H    3.0950587544   0.2689463231   2.8340210368
H    5.3726924105   2.6812304280   0.1295935283
H   -2.4360636972   2.3131647060   2.7628581014
H    5.0312885146   1.7508908874   2.4019315657
*