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III.G.1.a.

Compare Calculated Bonds for N-O

mPW1PW91/3-21G

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.

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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
1.293 0.114

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.080
Highest value FNO3 Fluorine nitrate 1.580

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NO2 Methane, nitro- 1.268 2 6
C3H3NO Isoxazole 1.468 5 8
CH3CH(CH3)ONO Iso-propyl nitrite 1.210 12 13
C2H5NO3 Nitric acid, ethyl ester 1.255 1 4
C4H11NO Diethylhydroxylamine 1.481 1 2
H2NO3+ Nitric Acid, Protonated 1.209 1 2
FNO3 Fluorine nitrate 1.580 1 2
BrNO Nitrosyl bromide 1.180 1 3
C2H6N2O2 Dimethylnitroamine 1.277 2 11
NO2- Nitrogen dioxide anion 1.327 1 2
NO2 Nitrogen dioxide 1.327 1 2
NO2+ Nitrogen dioxide cation 1.327 1 2
NO2- Nitrogen dioxide anion 1.240 1 2
NO2 Nitrogen dioxide 1.240 1 2
NO2+ Nitrogen dioxide cation 1.240 1 2
NO2- Nitrogen dioxide anion 1.147 1 2
NO2 Nitrogen dioxide 1.147 1 2
NO2+ Nitrogen dioxide cation 1.147 1 2
N2O4 Dinitrogen tetroxide 1.230 2 6
N2O3 Dinitrogen trioxide 1.179 1 3
    1.242 2 5
HNO- Nitrosyl hydride anion 1.389 2 3
HNO Nitrosyl hydride 1.389 2 3
HNO+ Nitrosyl hydride cation 1.389 2 3
HNO- Nitrosyl hydride anion 1.252 2 3
HNO Nitrosyl hydride 1.252 2 3
HNO+ Nitrosyl hydride cation 1.252 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 1.469 6 7
HNO3 Nitric acid 1.236 1 4
HNO2 Nitrous acid 1.208 3 4
HNO2+ nitrous acid cation 1.208 3 4
HNO2 Nitrous acid 1.162 3 4
HNO2+ nitrous acid cation 1.162 3 4
NO3- nitrate anion 1.242 1 4
NO3 Nitrogen trioxide 1.242 1 4
NO3+ nitrogen trioxide cation 1.242 1 4
NO3- nitrate anion 1.268 1 4
NO3 Nitrogen trioxide 1.268 1 4
NO3+ nitrogen trioxide cation 1.268 1 4
NO3- nitrate anion 1.434 1 4
NO3 Nitrogen trioxide 1.434 1 4
NO3+ nitrogen trioxide cation 1.434 1 4
NO3- nitrate anion 1.277 1 4
NO3 Nitrogen trioxide 1.277 1 4
NO3+ nitrogen trioxide cation 1.277 1 4
F3NO Nitrogen trifluoride oxide 1.197 1 2
CNO- fulminate 1.317 1 3
ONONO Nitrosyl nitrite 1.550 1 2
    1.197 2 4
CH3CHNOH Acetaldoxime 1.469 3 4
CH3NO3 Methyl nitrate 1.253 1 2
CH3ONO Methyl nitrite 1.225 6 7
H2NO3+ Nitric Acid, Protonated 1.375 1 3
N2O- Nitrous oxide anion 1.223 2 3
N2O Nitrous oxide 1.223 2 3
N2O+ Nitrous oxide cation 1.223 2 3
N2O- Nitrous oxide anion 1.291 2 3
N2O Nitrous oxide 1.291 2 3
N2O+ Nitrous oxide cation 1.291 2 3
N2O4 Dinitrogen tetroxide 1.230 1 4
HNO2 Nitrous acid 1.496 2 3
HNO2+ nitrous acid cation 1.496 2 3
HNO2 Nitrous acid 1.395 2 3
HNO2+ nitrous acid cation 1.395 2 3
NO3- nitrate anion 1.242 1 3
NO3 Nitrogen trioxide 1.242 1 3
NO3+ nitrogen trioxide cation 1.242 1 3
NO3- nitrate anion 1.268 1 3
NO3 Nitrogen trioxide 1.268 1 3
NO3+ nitrogen trioxide cation 1.268 1 3
NO3- nitrate anion 1.434 1 3
NO3 Nitrogen trioxide 1.434 1 3
NO3+ nitrogen trioxide cation 1.434 1 3
NO3- nitrate anion 1.277 1 3
NO3 Nitrogen trioxide 1.277 1 3
NO3+ nitrogen trioxide cation 1.277 1 3
FNO3 Fluorine nitrate 1.222 1 3
C2H6N2O2 (E)-Azodioxymethane 1.317 2 4
NH3O Ammonia Oxide 1.449 1 2
ONONO Nitrosyl nitrite 1.550 1 3
HOONO2 peroxy nitric acid 1.233 1 4
CH3NO2 Methane, nitro- 1.269 2 7
CH3CH(CH3)ONO Iso-propyl nitrite 1.496 11 13
CH3NO3 Methyl nitrate 1.241 1 3
HCNO fulminic acid 1.243 1 2
CH3ONO Methyl nitrite 1.465 2 6
C2H5NO3 Nitric acid, ethyl ester 1.469 1 2
C4H5NO Isoxazole, 5-methyl- 1.470 6 7
C3H7ONO Propyl nitrite 1.212 5 6
    1.216 5 6
ClNO2 Nitryl chloride 1.226 2 3
N2O4 Dinitrogen tetroxide 1.230 1 3
    1.230 2 5
ClONO2 Chlorine nitrate 1.229 3 4
C2H6N2O2 (E)-Azodioxymethane 1.317 1 3
BrONO Bromine nitrite 1.546 2 3
HNO3 Nitric acid 1.256 1 3
HOONO2 peroxy nitric acid 1.564 1 2
    1.235 1 5
CH3NHCH2COOH Sarcosine 1.092 2 10
C2H5NO3 Nitric acid, ethyl ester 1.242 1 3
CH3NO3 Methyl nitrate 1.473 1 4
C3H7ONO Propyl nitrite 1.495 4 5
    1.439 4 5
C2H6N2O2 Dimethylnitroamine 1.277 1 11
NO- nitric oxide anion 1.335 1 2
NO Nitric oxide 1.335 1 2
NO+ nitric oxide cation 1.335 1 2
NO- nitric oxide anion 1.335 1 2
NO Nitric oxide 1.335 1 2
NO+ nitric oxide cation 1.335 1 2
NO- nitric oxide anion 1.188 1 2
NO Nitric oxide 1.188 1 2
NO+ nitric oxide cation 1.188 1 2
NO- nitric oxide anion 1.080 1 2
NO Nitric oxide 1.080 1 2
NO+ nitric oxide cation 1.080 1 2
NO2- Nitrogen dioxide anion 1.327 1 3
NO2 Nitrogen dioxide 1.327 1 3
NO2+ Nitrogen dioxide cation 1.327 1 3
NO2- Nitrogen dioxide anion 1.240 1 3
NO2 Nitrogen dioxide 1.240 1 3
NO2+ Nitrogen dioxide cation 1.240 1 3
NO2- Nitrogen dioxide anion 1.147 1 3
NO2 Nitrogen dioxide 1.147 1 3
NO2+ Nitrogen dioxide cation 1.147 1 3
N2O3 Dinitrogen trioxide 1.246 2 4
ClONO2 Chlorine nitrate 1.547 2 3
    1.235 3 5
H2NO3+ Nitric Acid, Protonated 1.375 1 4
FNO Nitrosyl fluoride 1.181 2 3
FNO3 Fluorine nitrate 1.230 1 4
NH2OH hydroxylamine 1.499 1 2
ClNO2 Nitryl chloride 1.226 2 4
BrONO Bromine nitrite 1.197 3 4
ONONO Nitrosyl nitrite 1.197 3 5
ClNO Nitrosyl chloride 1.165 2 3
HNO3 Nitric acid 1.469 1 2
NO3- nitrate anion 1.459 1 2
NO3 Nitrogen trioxide 1.459 1 2
NO3+ nitrogen trioxide cation 1.459 1 2
NO3- nitrate anion 1.296 1 2
NO3 Nitrogen trioxide 1.296 1 2
NO3+ nitrogen trioxide cation 1.296 1 2
NO3- nitrate anion 1.154 1 2
NO3 Nitrogen trioxide 1.154 1 2
NO3+ nitrogen trioxide cation 1.154 1 2
NO3- nitrate anion 1.277 1 2
NO3 Nitrogen trioxide 1.277 1 2
NO3+ nitrogen trioxide cation 1.277 1 2