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III.G.1.a.

Compare Calculated Bonds for N-O

LSDA/6-311G*

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


Values greater than 1.60 are in the 1.60 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.233 0.093

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.064
Highest value HOONO2 peroxy nitric acid 1.539

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NO2 Methane, nitro- 1.216 2 7
C6H5NO2 Nitrobenzene 1.220 7 9
C3H7ONO Propyl nitrite 1.170 5 6
    1.180 5 6
CH3ONO Methyl nitrite 1.400 2 6
C2H5NO3 Nitric acid, ethyl ester 1.419 1 2
CH3CH(CH3)ONO Iso-propyl nitrite 1.425 11 13
CH3NO3 Methyl nitrate 1.192 1 3
HCNO fulminic acid 1.187 1 2
C4H5NO Isoxazole, 5-methyl- 1.376 6 7
ClNO2 Nitryl chloride 1.181 2 3
HNO3 Nitric acid 1.206 1 3
HOONO2 peroxy nitric acid 1.539 1 2
    1.186 1 5
N2O4 Dinitrogen tetroxide 1.186 1 3
    1.186 2 5
ClONO2 Chlorine nitrate 1.184 3 4
C2H6N2O2 (E)-Azodioxymethane 1.250 1 3
BrONO Bromine nitrite 1.475 2 3
CH3NHCH2COOH Sarcosine 1.100 2 10
C3H7ONO Propyl nitrite 1.420 4 5
    1.385 4 5
C2H5NO3 Nitric acid, ethyl ester 1.193 1 3
ClNO Nitrosyl chloride 1.133 2 3
CH3NO3 Methyl nitrate 1.425 1 4
H2NO3+ Nitric Acid, Protonated 1.301 1 4
FNO Nitrosyl fluoride 1.136 2 3
FNO3 Fluorine nitrate 1.186 1 4
NH2OH hydroxylamine 1.420 1 2
ClNO2 Nitryl chloride 1.181 2 4
C2H6N2O2 Dimethylnitroamine 1.221 1 11
HNO3 Nitric acid 1.406 1 2
NO3- nitrate anion 1.254 1 2
NO3 Nitrogen trioxide 1.254 1 2
NO3+ nitrogen trioxide cation 1.254 1 2
NO3- nitrate anion 1.230 1 2
NO3 Nitrogen trioxide 1.230 1 2
NO3+ nitrogen trioxide cation 1.230 1 2
NO3- nitrate anion 1.221 1 2
NO3 Nitrogen trioxide 1.221 1 2
NO3+ nitrogen trioxide cation 1.221 1 2
NO3- nitrate anion 1.135 1 2
NO3 Nitrogen trioxide 1.135 1 2
NO3+ nitrogen trioxide cation 1.135 1 2
NO3- nitrate anion 1.221 1 2
NO3 Nitrogen trioxide 1.221 1 2
NO3+ nitrogen trioxide cation 1.221 1 2
NO- nitric oxide anion 1.264 1 2
NO Nitric oxide 1.264 1 2
NO+ nitric oxide cation 1.264 1 2
NO- nitric oxide anion 1.264 1 2
NO Nitric oxide 1.264 1 2
NO+ nitric oxide cation 1.264 1 2
NO- nitric oxide anion 1.149 1 2
NO Nitric oxide 1.149 1 2
NO+ nitric oxide cation 1.149 1 2
NO- nitric oxide anion 1.064 1 2
NO Nitric oxide 1.064 1 2
NO+ nitric oxide cation 1.064 1 2
NO2- Nitrogen dioxide anion 1.262 1 3
NO2 Nitrogen dioxide 1.262 1 3
NO2+ Nitrogen dioxide cation 1.262 1 3
NO2- Nitrogen dioxide anion 1.193 1 3
NO2 Nitrogen dioxide 1.193 1 3
NO2+ Nitrogen dioxide cation 1.193 1 3
NO2- Nitrogen dioxide anion 1.120 1 3
NO2 Nitrogen dioxide 1.120 1 3
NO2+ Nitrogen dioxide cation 1.120 1 3
N2O3 Dinitrogen trioxide 1.196 2 4
ClONO2 Chlorine nitrate 1.510 2 3
    1.186 3 5
BrONO Bromine nitrite 1.158 3 4
ONONO Nitrosyl nitrite 1.156 3 5
CH3NO2 Methane, nitro- 1.216 2 6
C6H5NO2 Nitrobenzene 1.220 7 8
C3H3NO Isoxazole 1.373 5 8
C2H5NO3 Nitric acid, ethyl ester 1.204 1 4
CH3CH(CH3)ONO Iso-propyl nitrite 1.169 12 13
H2NO3+ Nitric Acid, Protonated 1.172 1 2
FNO3 Fluorine nitrate 1.509 1 2
BrNO Nitrosyl bromide 1.136 1 3
C2H6N2O2 Dimethylnitroamine 1.221 2 11
HNO3 Nitric acid 1.190 1 4
HNO2 Nitrous acid 1.166 3 4
HNO2+ nitrous acid cation 1.166 3 4
HNO2 Nitrous acid 1.142 3 4
HNO2+ nitrous acid cation 1.142 3 4
NO3- nitrate anion 1.254 1 4
NO3 Nitrogen trioxide 1.254 1 4
NO3+ nitrogen trioxide cation 1.254 1 4
NO3- nitrate anion 1.231 1 4
NO3 Nitrogen trioxide 1.231 1 4
NO3+ nitrogen trioxide cation 1.231 1 4
NO3- nitrate anion 1.221 1 4
NO3 Nitrogen trioxide 1.221 1 4
NO3+ nitrogen trioxide cation 1.221 1 4
NO3- nitrate anion 1.312 1 4
NO3 Nitrogen trioxide 1.312 1 4
NO3+ nitrogen trioxide cation 1.312 1 4
NO3- nitrate anion 1.221 1 4
NO3 Nitrogen trioxide 1.221 1 4
NO3+ nitrogen trioxide cation 1.221 1 4
F3NO Nitrogen trifluoride oxide 1.153 1 2
C4H11NO Diethylhydroxylamine 1.400 1 2
NO2- Nitrogen dioxide anion 1.262 1 2
NO2 Nitrogen dioxide 1.262 1 2
NO2+ Nitrogen dioxide cation 1.262 1 2
NO2- Nitrogen dioxide anion 1.193 1 2
NO2 Nitrogen dioxide 1.193 1 2
NO2+ Nitrogen dioxide cation 1.193 1 2
NO2- Nitrogen dioxide anion 1.120 1 2
NO2 Nitrogen dioxide 1.120 1 2
NO2+ Nitrogen dioxide cation 1.120 1 2
N2O4 Dinitrogen tetroxide 1.186 2 6
N2O3 Dinitrogen trioxide 1.139 1 3
    1.194 2 5
HNO- Nitrosyl hydride anion 1.195 2 3
HNO Nitrosyl hydride 1.195 2 3
HNO+ Nitrosyl hydride cation 1.195 2 3
HNO- Nitrosyl hydride anion 1.124 2 3
HNO Nitrosyl hydride 1.124 2 3
HNO+ Nitrosyl hydride cation 1.124 2 3
C4H5NO 3-Methylisoxazole 1.374 6 7
CNO- fulminate 1.243 1 3
ONONO Nitrosyl nitrite 1.490 1 2
    1.156 2 4
CH3CHNOH Acetaldoxime 1.377 3 4
CH3ONO Methyl nitrite 1.180 6 7
CH3NO3 Methyl nitrate 1.203 1 2
H2NO3+ Nitric Acid, Protonated 1.301 1 3
HNO2 Nitrous acid 1.423 2 3
HNO2+ nitrous acid cation 1.423 2 3
HNO2 Nitrous acid 1.275 2 3
HNO2+ nitrous acid cation 1.275 2 3
NO3- nitrate anion 1.254 1 3
NO3 Nitrogen trioxide 1.254 1 3
NO3+ nitrogen trioxide cation 1.254 1 3
NO3- nitrate anion 1.231 1 3
NO3 Nitrogen trioxide 1.231 1 3
NO3+ nitrogen trioxide cation 1.231 1 3
NO3- nitrate anion 1.221 1 3
NO3 Nitrogen trioxide 1.221 1 3
NO3+ nitrogen trioxide cation 1.221 1 3
NO3- nitrate anion 1.312 1 3
NO3 Nitrogen trioxide 1.312 1 3
NO3+ nitrogen trioxide cation 1.312 1 3
NO3- nitrate anion 1.221 1 3
NO3 Nitrogen trioxide 1.221 1 3
NO3+ nitrogen trioxide cation 1.221 1 3
FNO3 Fluorine nitrate 1.179 1 3
HOONO2 peroxy nitric acid 1.185 1 4
N2O Nitrous oxide 1.175 2 3
N2O+ Nitrous oxide cation 1.175 2 3
N2O- Nitrous oxide anion 1.175 2 3
N2O Nitrous oxide 1.165 2 3
N2O+ Nitrous oxide cation 1.165 2 3
N2O- Nitrous oxide anion 1.165 2 3
N2O4 Dinitrogen tetroxide 1.186 1 4
C2H6N2O2 (E)-Azodioxymethane 1.250 2 4
NH3O Ammonia Oxide 1.302 1 2
ONONO Nitrosyl nitrite 1.490 1 3