return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

B3LYP/6-31G

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.65 are in the 1.65 bin. Values less than 1.05 are in the 1.05 bin.

histogram chart 60 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 50 line line line line line line line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 40 line line line line line line line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 30 line line line line line line line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 20 line line line line line line line line line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line
histogram chart 10 line line line line line line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line
histogram chart 0 line line line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line
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)

Summary: (Å)
Average bond length Standard deviation
1.284 0.113

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.090
Highest value FNO3 Fluorine nitrate 1.602

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3CHNOH Acetaldoxime 1.467 3 4
CH3ONO Methyl nitrite 1.215 6 7
CH3NO3 Methyl nitrate 1.246 1 2
HNO2 Nitrous acid 1.502 2 3
HNO2+ nitrous acid cation 1.502 2 3
HNO2 Nitrous acid 1.339 2 3
HNO2+ nitrous acid cation 1.339 2 3
NO3- nitrate anion 1.297 1 3
NO3 Nitrogen trioxide 1.297 1 3
NO3+ nitrogen trioxide cation 1.297 1 3
NO3- nitrate anion 1.265 1 3
NO3 Nitrogen trioxide 1.265 1 3
NO3+ nitrogen trioxide cation 1.265 1 3
NO3- nitrate anion 1.400 1 3
NO3 Nitrogen trioxide 1.400 1 3
NO3+ nitrogen trioxide cation 1.400 1 3
NO3- nitrate anion 1.266 1 3
NO3 Nitrogen trioxide 1.266 1 3
NO3+ nitrogen trioxide cation 1.266 1 3
H2NO3+ Nitric Acid, Protonated 1.347 1 3
FNO3 Fluorine nitrate 1.215 1 3
HOONO2 peroxy nitric acid 1.225 1 4
N2O Nitrous oxide 1.226 2 3
N2O+ Nitrous oxide cation 1.226 2 3
N2O- Nitrous oxide anion 1.226 2 3
N2O Nitrous oxide 1.251 2 3
N2O+ Nitrous oxide cation 1.251 2 3
N2O- Nitrous oxide anion 1.251 2 3
N2O5 Dinitrogen pentoxide 1.224 2 6
    1.222 3 5
N2O4 Dinitrogen tetroxide 1.223 1 4
C2H6N2O2 (E)-Azodioxymethane 1.308 2 4
NH3O Ammonia Oxide 1.451 1 2
ONONO Nitrosyl nitrite 1.566 1 3
CH3NO2 Methane, nitro- 1.259 2 7
C6H5NO2 Nitrobenzene 1.265 7 9
CH3CH(CH3)ONO Iso-propyl nitrite 1.489 11 13
CH3ONO Methyl nitrite 1.460 2 6
C2H5NO3 Nitric acid, ethyl ester 1.461 1 2
C3H7ONO Propyl nitrite 1.204 5 6
    1.211 5 6
HCNO fulminic acid 1.243 1 2
CH3NO3 Methyl nitrate 1.233 1 3
HNO3 Nitric acid 1.247 1 3
C4H5NO Isoxazole, 5-methyl- 1.468 6 7
ClNO2 Nitryl chloride 1.222 2 3
HOONO2 peroxy nitric acid 1.595 1 2
    1.225 1 5
N2O5 Dinitrogen pentoxide 1.224 3 7
N2O4 Dinitrogen tetroxide 1.223 1 3
    1.223 2 5
ClONO2 Chlorine nitrate 1.223 3 4
C2H6N2O2 (E)-Azodioxymethane 1.308 1 3
BrONO Bromine nitrite 1.567 2 3
CH3NHCH2COOH Sarcosine 1.093 2 10
C2H5NO3 Nitric acid, ethyl ester 1.234 1 3
C3H7ONO Propyl nitrite 1.486 4 5
    1.424 4 5
CH3NO3 Methyl nitrate 1.470 1 4
ClNO Nitrosyl chloride 1.165 2 3
C2H6N2O2 Dimethylnitroamine 1.271 1 11
HNO3 Nitric acid 1.462 1 2
NO3- nitrate anion 1.238 1 2
NO3 Nitrogen trioxide 1.238 1 2
NO3+ nitrogen trioxide cation 1.238 1 2
NO3- nitrate anion 1.266 1 2
NO3 Nitrogen trioxide 1.266 1 2
NO3+ nitrogen trioxide cation 1.266 1 2
NO3- nitrate anion 1.163 1 2
NO3 Nitrogen trioxide 1.163 1 2
NO3+ nitrogen trioxide cation 1.163 1 2
NO3- nitrate anion 1.266 1 2
NO3 Nitrogen trioxide 1.266 1 2
NO3+ nitrogen trioxide cation 1.266 1 2
H2NO3+ Nitric Acid, Protonated 1.347 1 4
FNO Nitrosyl fluoride 1.169 2 3
FNO3 Fluorine nitrate 1.223 1 4
NH2OH hydroxylamine 1.489 1 2
ClNO2 Nitryl chloride 1.222 2 4
N2O5 Dinitrogen pentoxide 1.567 1 3
NO- nitric oxide anion 1.316 1 2
NO Nitric oxide 1.316 1 2
NO+ nitric oxide cation 1.316 1 2
NO- nitric oxide anion 1.314 1 2
NO Nitric oxide 1.314 1 2
NO+ nitric oxide cation 1.314 1 2
NO- nitric oxide anion 1.183 1 2
NO Nitric oxide 1.183 1 2
NO+ nitric oxide cation 1.183 1 2
NO- nitric oxide anion 1.090 1 2
NO Nitric oxide 1.090 1 2
NO+ nitric oxide cation 1.090 1 2
NO2- Nitrogen dioxide anion 1.306 1 3
NO2 Nitrogen dioxide 1.306 1 3
NO2+ Nitrogen dioxide cation 1.306 1 3
NO2- Nitrogen dioxide anion 1.231 1 3
NO2 Nitrogen dioxide 1.231 1 3
NO2+ Nitrogen dioxide cation 1.231 1 3
NO2- Nitrogen dioxide anion 1.154 1 3
NO2 Nitrogen dioxide 1.154 1 3
NO2+ Nitrogen dioxide cation 1.154 1 3
N2O3 Dinitrogen trioxide 1.238 2 4
ClONO2 Chlorine nitrate 1.561 2 3
    1.227 3 5
BrONO Bromine nitrite 1.186 3 4
ONONO Nitrosyl nitrite 1.187 3 5
CH3NO2 Methane, nitro- 1.259 2 6
C6H5NO2 Nitrobenzene 1.265 7 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.203 12 13
C2H5NO3 Nitric acid, ethyl ester 1.247 1 4
C3H3NO Isoxazole 1.466 5 8
C4H11NO Diethylhydroxylamine 1.476 1 2
C2H6N2O2 Dimethylnitroamine 1.271 2 11
HNO3 Nitric acid 1.228 1 4
HNO2 Nitrous acid 1.197 3 4
HNO2+ nitrous acid cation 1.197 3 4
HNO2 Nitrous acid 1.168 3 4
HNO2+ nitrous acid cation 1.168 3 4
NO3- nitrate anion 1.297 1 4
NO3 Nitrogen trioxide 1.297 1 4
NO3+ nitrogen trioxide cation 1.297 1 4
NO3- nitrate anion 1.265 1 4
NO3 Nitrogen trioxide 1.265 1 4
NO3+ nitrogen trioxide cation 1.265 1 4
NO3- nitrate anion 1.400 1 4
NO3 Nitrogen trioxide 1.400 1 4
NO3+ nitrogen trioxide cation 1.400 1 4
NO3- nitrate anion 1.266 1 4
NO3 Nitrogen trioxide 1.266 1 4
NO3+ nitrogen trioxide cation 1.266 1 4
H2NO3+ Nitric Acid, Protonated 1.212 1 2
FNO3 Fluorine nitrate 1.602 1 2
BrNO Nitrosyl bromide 1.171 1 3
F3NO Nitrogen trifluoride oxide 1.189 1 2
N2O5 Dinitrogen pentoxide 1.567 1 2
    1.222 2 4
NO2- Nitrogen dioxide anion 1.306 1 2
NO2 Nitrogen dioxide 1.306 1 2
NO2+ Nitrogen dioxide cation 1.306 1 2
NO2- Nitrogen dioxide anion 1.231 1 2
NO2 Nitrogen dioxide 1.231 1 2
NO2+ Nitrogen dioxide cation 1.231 1 2
NO2- Nitrogen dioxide anion 1.154 1 2
NO2 Nitrogen dioxide 1.154 1 2
NO2+ Nitrogen dioxide cation 1.154 1 2
N2O4 Dinitrogen tetroxide 1.223 2 6
N2O3 Dinitrogen trioxide 1.171 1 3
    1.234 2 5
HNO- Nitrosyl hydride anion 1.378 2 3
HNO Nitrosyl hydride 1.378 2 3
HNO+ Nitrosyl hydride cation 1.378 2 3
HNO- Nitrosyl hydride anion 1.238 2 3
HNO Nitrosyl hydride 1.238 2 3
HNO+ Nitrosyl hydride cation 1.238 2 3
HNO- Nitrosyl hydride anion 1.154 2 3
HNO Nitrosyl hydride 1.154 2 3
HNO+ Nitrosyl hydride cation 1.154 2 3
C4H5NO 3-Methylisoxazole 1.466 6 7
CNO- fulminate 1.315 1 3
ONONO Nitrosyl nitrite 1.566 1 2
    1.187 2 4