Geometric Data
Point Group C3v
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 |
rNH |
1.012 |
|
1 |
2 |
|
|
1966Herzberg |
|
aHNH |
106.67 |
|
2 |
1 |
3 |
|
1966Herzberg |
|
aXNH |
112.15 |
|
255 |
1 |
2 |
|
1966Herzberg |
from symmetry. X is on symmetry axis. |
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
N1 |
0.0000 |
0.0000 |
0.0000 |
H2 |
0.0000 |
-0.9377 |
-0.3816 |
H3 |
0.8121 |
0.4689 |
-0.3816 |
H4 |
-0.8121 |
0.4689 |
-0.3816 |
Atom - Atom Distances
Distances in Å
|
N1 |
H2 |
H3 |
H4 |
N1 |
|
1.0124 | 1.0124 | 1.0124 |
H2 |
1.0124 |
|
1.6242 | 1.6242 |
H3 |
1.0124 | 1.6242 |
|
1.6242 |
H4 |
1.0124 | 1.6242 | 1.6242 |
|
Calculated geometries
for NH
3 (Ammonia).
Experimental Bond Angles (degrees) from cartesians
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
H2 |
N1 |
H3 |
106.670 |
|
H2 |
N1 |
H4 |
106.670 |
H3 |
N1 |
H4 |
106.670 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Connectivity
Atom 1 |
Atom 2 |
N1 |
H2 |
N1 |
H3 |
N1 |
H4 |
Electronic energy levels (cm-1)
Energy (cm-1) |
Degeneracy |
reference |
description |
0 |
1 |
|
1A1 |
46136 |
1 |
1966Herzberg |
|
Ionization Energies (eV)
Ionization Energy |
I.E. unc. |
vertical I.E. |
v.I.E. unc. |
reference |
10.070 |
0.020 |
10.820 |
|
webbook |
An error occurred on the server when processing the URL. Please contact the system administrator.
If you are the system administrator please click
here to find out more about this error.