|
|
III.G.1.a. |
CCSD(T)/cc-pVTZ
| 30 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||
| 25 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 20 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 15 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 10 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||||||
| 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
Summary: (Å)
| Average bond length | Standard deviation |
|---|---|
| 1.217 | 0.076 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO- | nitric oxide anion | 1.069 |
| Highest value | BrONO | Bromine nitrite | 1.492 |
Calculated Bond lengths
Click on entry for all calculated results.
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| HCNO | fulminic acid | 1.202 | 1 | 2 |
| ClNO | Nitrosyl chloride | 1.141 | 2 | 3 |
| HNO2 | Nitrous acid | 1.308 | 2 | 3 |
| 1.140 | 3 | 4 | ||
| HNO2+ | nitrous acid cation | 1.308 | 2 | 3 |
| 1.140 | 3 | 4 | ||
| FNO | Nitrosyl fluoride | 1.142 | 2 | 3 |
| NH2OH | hydroxylamine | 1.449 | 1 | 2 |
| NH3O | Ammonia Oxide | 1.370 | 1 | 2 |
| N2O- | Nitrous oxide anion | 1.201 | 2 | 3 |
| 1.190 | 2 | 3 | ||
| N2O | Nitrous oxide | 1.201 | 2 | 3 |
| 1.190 | 2 | 3 | ||
| N2O+ | Nitrous oxide cation | 1.201 | 2 | 3 |
| 1.190 | 2 | 3 | ||
| NO- | nitric oxide anion | 1.275 | 1 | 2 |
| 1.153 | 1 | 2 | ||
| 1.069 | 1 | 2 | ||
| 1.275 | 1 | 2 | ||
| NO | Nitric oxide | 1.275 | 1 | 2 |
| 1.153 | 1 | 2 | ||
| 1.069 | 1 | 2 | ||
| 1.275 | 1 | 2 | ||
| NO+ | nitric oxide cation | 1.275 | 1 | 2 |
| 1.153 | 1 | 2 | ||
| 1.069 | 1 | 2 | ||
| 1.275 | 1 | 2 | ||
| NO2- | Nitrogen dioxide anion | 1.266 | 1 | 2 |
| 1.199 | 1 | 2 | ||
| 1.125 | 1 | 2 | ||
| 1.125 | 1 | 3 | ||
| 1.199 | 1 | 3 | ||
| 1.266 | 1 | 3 | ||
| NO2 | Nitrogen dioxide | 1.266 | 1 | 2 |
| 1.199 | 1 | 2 | ||
| 1.125 | 1 | 2 | ||
| 1.125 | 1 | 3 | ||
| 1.199 | 1 | 3 | ||
| 1.266 | 1 | 3 | ||
| NO2+ | Nitrogen dioxide cation | 1.266 | 1 | 2 |
| 1.199 | 1 | 2 | ||
| 1.125 | 1 | 2 | ||
| 1.125 | 1 | 3 | ||
| 1.199 | 1 | 3 | ||
| 1.266 | 1 | 3 | ||
| N2O3 | Dinitrogen trioxide | 1.148 | 1 | 3 |
| 1.206 | 2 | 4 | ||
| 1.206 | 2 | 5 | ||
| NO3- | nitrate anion | 1.237 | 1 | 2 |
| 1.237 | 1 | 2 | ||
| 1.237 | 1 | 3 | ||
| 1.237 | 1 | 3 | ||
| 1.237 | 1 | 4 | ||
| 1.237 | 1 | 4 | ||
| NO3 | Nitrogen trioxide | 1.237 | 1 | 2 |
| 1.237 | 1 | 2 | ||
| 1.237 | 1 | 3 | ||
| 1.237 | 1 | 3 | ||
| 1.237 | 1 | 4 | ||
| 1.237 | 1 | 4 | ||
| NO3+ | nitrogen trioxide cation | 1.237 | 1 | 2 |
| 1.237 | 1 | 2 | ||
| 1.237 | 1 | 3 | ||
| 1.237 | 1 | 3 | ||
| 1.237 | 1 | 4 | ||
| 1.237 | 1 | 4 | ||
| BrNO | Nitrosyl bromide | 1.142 | 1 | 3 |
| HNO- | Nitrosyl hydride anion | 1.129 | 2 | 3 |
| 1.214 | 2 | 3 | ||
| 1.339 | 2 | 3 | ||
| HNO | Nitrosyl hydride | 1.129 | 2 | 3 |
| 1.214 | 2 | 3 | ||
| 1.339 | 2 | 3 | ||
| HNO+ | Nitrosyl hydride cation | 1.129 | 2 | 3 |
| 1.214 | 2 | 3 | ||
| 1.339 | 2 | 3 | ||
| CNO- | fulminate | 1.270 | 1 | 3 |
| BrONO | Bromine nitrite | 1.492 | 2 | 3 |
| 1.162 | 3 | 4 |