Vibrational levels (cm-1)
Mode Number |
Symmetry |
Frequency |
Intensity |
Comment |
Description |
Fundamental(cm-1) |
Harmonic(cm-1) |
Reference |
(km mol-1) |
unc. |
Reference |
1 |
A' |
3626 |
|
webbook |
|
|
|
|
|
2 |
A' |
1070 |
|
|
|
|
|
|
|
3 |
A' |
575 |
|
|
|
|
|
|
|
vibrational zero-point energy: 2635.3 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
HOI (Hypoiodous acid).
Geometric Data
Point Group Cs
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
O1 |
0.0151 |
1.7009 |
0.0000 |
I2 |
0.0151 |
-0.2932 |
0.0000 |
H3 |
-0.9236 |
1.9330 |
0.0000 |
Atom - Atom Distances
Distances in Å
|
O1 |
I2 |
H3 |
O1 |
|
1.9941 | 0.9670 |
I2 |
1.9941 |
|
2.4161 |
H3 |
0.9670 | 2.4161 |
|
Calculated geometries
for HOI (Hypoiodous acid).
Experimental Bond Angles (degrees) from cartesians
atom1 |
atom2 |
atom3 |
angle |
I2 |
O1 |
H3 |
103.890 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type |
Count |
H-O |
1 |
O-I |
1 |
Connectivity
Atom 1 |
Atom 2 |
O1 |
I2 |
O1 |
H3 |
Dipole, Quadrupole and Polarizability
Electric dipole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Dipole (Debye) |
Reference |
comment |
Point Group |
Components |
x |
y |
z |
total |
dipole |
quadrupole |
1 |
1 |
1A' |
Cs |
True |
|
|
|
|
|
|
Cs |
2 |
3 |
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for
HOI (Hypoiodous acid).
Electric quadrupole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Quadrupole (D Å) |
Reference |
comment |
Point Group |
Components |
xx |
yy |
zz |
dipole |
quadrupole |
1 |
1 |
1A' |
Cs |
True |
|
|
|
|
|
Cs |
2 |
3 |
Calculated electric quadrupole moments for
HOI (Hypoiodous acid).