Geometric Data
Point Group C2v
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description |
Value |
unc. |
Connectivity |
Reference |
Comment |
Atom 1 |
Atom 2 |
Atom 3 |
Atom 4 |
rHCl |
1.321 |
0.000 |
1 |
2 |
|
|
2001Ara/Fur:132 |
rz |
aHClH |
94.238 |
0.072 |
2 |
1 |
3 |
|
2001Ara/Fur:132 |
|
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
Cl1 |
0.0000 |
0.0000 |
0.0946 |
H2 |
0.0000 |
0.9677 |
-0.8040 |
H3 |
0.0000 |
-0.9677 |
-0.8040 |
Atom - Atom Distances
Distances in Å
|
Cl1 |
H2 |
H3 |
Cl1 |
|
1.3206 | 1.3206 |
H2 |
1.3206 |
|
1.9353 |
H3 |
1.3206 | 1.9353 |
|
Calculated geometries
for H
2Cl
+ (dihydrogen monochloride cation).
Experimental Bond Angles (degrees) from cartesians
atom1 |
atom2 |
atom3 |
angle |
H2 |
Cl1 |
H3 |
94.238 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Connectivity
Atom 1 |
Atom 2 |
Cl1 |
H2 |
Cl1 |
H3 |
Electronic energy levels (cm-1)
Energy (cm-1) |
Degeneracy |
reference |
description |
0 |
1 |
|
1A1 |
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