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' |
1801 |
|
2012Tas/Pie:55-64 |
|
|
|
|
|
2 |
A' |
1334 |
|
|
|
|
|
|
|
3 |
A' |
1216 |
|
|
|
|
|
|
|
4 |
A' |
1060 |
|
|
|
|
|
|
|
5 |
A' |
691 |
|
|
|
|
|
|
|
6 |
A' |
516 |
|
|
|
|
|
|
|
7 |
A' |
462 |
|
|
|
|
|
|
|
8 |
A' |
338 |
|
|
|
|
|
|
|
9 |
A' |
188 |
|
|
|
|
|
|
|
10 |
A" |
539 |
|
|
|
|
|
|
|
11 |
A" |
368 |
|
|
|
|
|
|
|
12 |
A" |
174 |
|
|
|
|
|
|
|
vibrational zero-point energy: 4343.7 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
C
2ClF
3 (Ethene, chlorotrifluoro-).
Geometric Data
Point Group Cs
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 |
Cartesians
Atom - Atom Distances
Distances in Å
Calculated geometries
for C
2ClF
3 (Ethene, chlorotrifluoro-).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type |
Count |
C=C |
1 |
C-F |
3 |
C-Cl |
1 |
Connectivity
Atom 1 |
Atom 2 |
C1 |
C2 |
C1 |
F3 |
C1 |
F4 |
C2 |
F5 |
C2 |
Cl6 |
Electronic energy levels (cm-1)
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