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 |
Cartesians
Atom - Atom Distances
Distances in Å
Calculated geometries
for C
3H
9O
+ (trimethyl oxonium cation).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type |
Count |
H-C |
9 |
C-O |
3 |
Connectivity
Atom 1 |
Atom 2 |
O1 |
C2 |
O1 |
C3 |
O1 |
C4 |
C2 |
H5 |
C2 |
H8 |
C2 |
H9 |
C3 |
H6 |
C3 |
H10 |
C3 |
H11 |
C4 |
H7 |
C4 |
H12 |
C4 |
H13 |
Electronic energy levels (cm-1)
Energy (cm-1) |
Degeneracy |
reference |
description |
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