Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP4/cc-pVTZ
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 | 1.60 | 1.65 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.281 | 0.131 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NO+ | nitric oxide cation | 1.089 |
Highest value | ClONO2 | Chlorine nitrate | 1.588 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NO | Nitric oxide | 1.142 | 1 | 2 |
NO+ | nitric oxide cation | 1.089 | 1 | 2 |
HNO- | Nitrosyl hydride anion | 1.346 | 2 | 3 |
HNO | Nitrosyl hydride | 1.225 | 2 | 3 |
HNO+ | Nitrosyl hydride cation | 1.103 | 2 | 3 |
NOH | Hydroxyimidogen | 1.333 | 1 | 2 |
NOH+ | O-protonated nitric oxide | 1.176 | 1 | 2 |
H2NO | nitroxide | 1.271 | 1 | 2 |
NH2OH | hydroxylamine | 1.452 | 1 | 2 |
NH2OH+ | Hydroxylamine cation | 1.294 | 1 | 2 |
NH3O | Ammonia Oxide | 1.367 | 1 | 2 |
NH3OH+ | N-protonated hydroxylamine | 1.407 | 1 | 2 |
NH2OH2+ | protonated hydroxylamine | 1.491 | 1 | 2 |
N2O- | Nitrous oxide anion | 1.313 | 2 | 3 |
N2O | Nitrous oxide | 1.193 | 2 | 3 |
N2O+ | Nitrous oxide cation | 1.216 | 2 | 3 |
NO2- | Nitrogen dioxide anion | 1.279 | 1 | 2 |
1.279 | 1 | 3 | ||
NO2 | Nitrogen dioxide | 1.216 | 1 | 2 |
1.216 | 1 | 3 | ||
NO2+ | Nitrogen dioxide cation | 1.159 | 1 | 2 |
1.159 | 1 | 3 | ||
SNO | Nitrogen oxide sulfide | 1.220 | 1 | 3 |
FNO | Nitrosyl fluoride | 1.145 | 2 | 3 |
ClNO | Nitrosyl chloride | 1.151 | 2 | 3 |
BrNO | Nitrosyl bromide | 1.153 | 1 | 3 |
HCNO | fulminic acid | 1.203 | 1 | 2 |
HNO2 | Nitrous acid | 1.181 | 3 | 4 |
1.449 | 2 | 3 | ||
NNOH+ | Nitrous Oxide, O-protonated | 1.272 | 2 | 3 |
HNNO+ | Nitrous oxide, N-protonated | 1.161 | 2 | 3 |
NH2NO | Nitrosamide | 1.228 | 1 | 2 |
CH2NOH | formaldoxime | 1.408 | 2 | 3 |
CH3NO | nitrosomethane | 1.223 | 2 | 3 |
CNOH3 | 1,2-oxaziridine | 1.518 | 2 | 3 |
NO3- | nitrate anion | 1.267 | 1 | 2 |
1.267 | 1 | 3 | ||
1.267 | 1 | 4 | ||
NO3+ | nitrogen trioxide cation | 1.151 | 1 | 2 |
1.335 | 1 | 3 | ||
1.335 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.190 | 1 | 3 |
1.190 | 1 | 4 | ||
FONO | Nitrosyl hypofluorite | 1.159 | 3 | 4 |
1.581 | 2 | 3 | ||
ClONO | chlorine nitrite | 1.161 | 3 | 4 |
1.582 | 2 | 3 | ||
HNO3 | Nitric acid | 1.426 | 1 | 2 |
1.219 | 1 | 3 | ||
1.207 | 1 | 4 | ||
H2NO3+ | Nitric Acid, Protonated | 1.186 | 1 | 2 |
1.316 | 1 | 3 | ||
1.316 | 1 | 4 | ||
NH2NO2 | nitramide | 1.227 | 2 | 3 |
1.227 | 2 | 4 | ||
CH3NO2 | Methane, nitro- | 1.235 | 2 | 6 |
1.235 | 2 | 7 | ||
CH3CHNOH | Acetaldoxime | 1.417 | 3 | 4 |
N2O3 | Dinitrogen trioxide | 1.174 | 1 | 3 |
1.221 | 2 | 4 | ||
1.217 | 2 | 5 | ||
ONONO | Nitrosyl nitrite | 1.170 | 2 | 4 |
1.170 | 3 | 5 | ||
1.532 | 1 | 2 | ||
1.532 | 1 | 3 | ||
FNO3 | Fluorine nitrate | 1.584 | 1 | 2 |
1.194 | 1 | 3 | ||
1.200 | 1 | 4 | ||
ClONO2 | Chlorine nitrate | 1.198 | 3 | 4 |
1.201 | 3 | 5 | ||
1.588 | 2 | 3 | ||
BrONO2 | Bromine nitrate | 1.202 | 3 | 4 |
1.200 | 3 | 5 | ||
1.563 | 2 | 3 | ||
HOONO2 | peroxy nitric acid | 1.561 | 1 | 2 |
1.203 | 1 | 4 | ||
1.201 | 1 | 5 | ||
C2H2N2O | Furazan | 1.380 | 1 | 2 |
1.380 | 1 | 3 |