|
|
III.G.1.a. |
HF/cc-pCVTZ
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||||
| 1.11 | 1.12 | 1.12 | 1.13 | 1.13 | 1.14 | 1.14 | 1.15 | 1.15 | 1.16 | 1.16 | 1.17 | 1.17 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
Summary: (Å)
| Average bond length | Standard deviation |
|---|---|
| 1.160 | 0.019 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FNO | Nitrosyl fluoride | 1.114 |
| Highest value | N2O- | Nitrous oxide anion | 1.168 |
Calculated Bond lengths
Click on entry for all calculated results.
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FNO | Nitrosyl fluoride | 1.114 | 2 | 3 |
| N2O- | Nitrous oxide anion | 1.168 | 2 | 3 |
| N2O | Nitrous oxide | 1.168 | 2 | 3 |
| N2O+ | Nitrous oxide cation | 1.168 | 2 | 3 |
| HNO- | Nitrosyl hydride anion | 1.166 | 2 | 3 |
| HNO | Nitrosyl hydride | 1.166 | 2 | 3 |
| HNO+ | Nitrosyl hydride cation | 1.166 | 2 | 3 |