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III.G.1.a.

Compare Calculated Bonds for N-O

HF/6-31G*

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


Values greater than 3.20 are in the 3.20 bin. Values less than 1.00 are in the 1.00 bin.

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histogram chart 150 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 line line line line line line
histogram chart 100 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 line line line line line line
histogram chart 50 line line 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 line line line line line line
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1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00 3.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.224 0.143

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.041
Highest value N2O5 Dinitrogen pentoxide 2.937

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NO3 Methyl nitrate 1.330 1 4
    1.330 1 4
    1.331 1 4
H2NO3+ Nitric Acid, Protonated 1.278 1 4
ClNO2 Nitryl chloride 1.173 2 4
    1.173 2 4
    1.173 2 4
CH3NHCH2COOH Sarcosine 1.083 2 10
    1.083 2 10
    1.083 2 10
C3H7ONO Propyl nitrite 1.337 4 5
    1.338 4 5
C2H5NO3 Nitric acid, ethyl ester 1.178 1 3
    1.178 1 3
    1.178 1 3
HNO3 Nitric acid 1.334 1 2
    1.334 1 2
    1.334 1 2
N2O5 Dinitrogen pentoxide 1.410 1 3
    1.396 1 3
NO- nitric oxide anion 1.248 1 2
NO Nitric oxide 1.248 1 2
NO+ nitric oxide cation 1.248 1 2
NO- nitric oxide anion 1.248 1 2
NO Nitric oxide 1.248 1 2
NO+ nitric oxide cation 1.248 1 2
NO- nitric oxide anion 1.236 1 2
NO Nitric oxide 1.236 1 2
NO+ nitric oxide cation 1.236 1 2
NO- nitric oxide anion 1.236 1 2
NO Nitric oxide 1.236 1 2
NO+ nitric oxide cation 1.236 1 2
NO- nitric oxide anion 1.127 1 2
NO Nitric oxide 1.127 1 2
NO+ nitric oxide cation 1.127 1 2
NO- nitric oxide anion 1.041 1 2
NO Nitric oxide 1.041 1 2
NO+ nitric oxide cation 1.041 1 2
NO- nitric oxide anion 1.041 1 2
NO Nitric oxide 1.041 1 2
NO+ nitric oxide cation 1.041 1 2
NO2- Nitrogen dioxide anion 1.229 1 3
NO2 Nitrogen dioxide 1.229 1 3
NO2+ Nitrogen dioxide cation 1.229 1 3
NO2- Nitrogen dioxide anion 1.229 1 3
NO2 Nitrogen dioxide 1.229 1 3
NO2+ Nitrogen dioxide cation 1.229 1 3
NO2- Nitrogen dioxide anion 1.164 1 3
NO2 Nitrogen dioxide 1.164 1 3
NO2+ Nitrogen dioxide cation 1.164 1 3
NO2- Nitrogen dioxide anion 1.164 1 3
NO2 Nitrogen dioxide 1.164 1 3
NO2+ Nitrogen dioxide cation 1.164 1 3
NO2- Nitrogen dioxide anion 1.091 1 3
NO2 Nitrogen dioxide 1.091 1 3
NO2+ Nitrogen dioxide cation 1.091 1 3
NO2- Nitrogen dioxide anion 1.091 1 3
NO2 Nitrogen dioxide 1.091 1 3
NO2+ Nitrogen dioxide cation 1.091 1 3
N2O3 Dinitrogen trioxide 1.175 2 4
    1.175 2 4
    1.175 2 4
ClONO2 Chlorine nitrate 1.372 2 3
    1.172 3 5
ClNO Nitrosyl chloride 1.116 2 3
    1.116 2 3
    1.116 2 3
C2H6N2O2 Dimethylnitroamine 1.197 1 11
    1.197 1 11
    1.197 1 11
FNO Nitrosyl fluoride 1.128 2 3
    1.128 2 3
    1.128 2 3
FNO3 Fluorine nitrate 1.171 1 4
    1.171 1 4
NH2OH hydroxylamine 1.403 1 2
    1.403 1 2
    1.404 1 2
NO3- nitrate anion 1.226 1 2
NO3 Nitrogen trioxide 1.226 1 2
NO3+ nitrogen trioxide cation 1.226 1 2
NO3- nitrate anion 1.334 1 2
NO3 Nitrogen trioxide 1.334 1 2
NO3+ nitrogen trioxide cation 1.334 1 2
NO3- nitrate anion 1.197 1 2
NO3 Nitrogen trioxide 1.197 1 2
NO3+ nitrogen trioxide cation 1.197 1 2
NO3- nitrate anion 1.334 1 2
NO3 Nitrogen trioxide 1.334 1 2
CH3NO2 Methane, nitro- 1.192 2 7
    1.192 2 7
    1.192 2 7
CH3CH(CH3)ONO Iso-propyl nitrite 1.335 11 13
    1.335 11 13
    1.335 11 13
CH3NO3 Methyl nitrate 1.177 1 3
    1.177 1 3
    1.177 1 3
C4H5NO Isoxazole, 5-methyl- 1.365 6 7
    1.365 6 7
    1.365 6 7
ClNO2 Nitryl chloride 1.173 2 3
    1.173 2 3
    1.173 2 3
HOONO2 peroxy nitric acid 1.371 1 2
    1.175 1 5
C6H5NO2 Nitrobenzene 1.194 7 9
    1.194 7 9
    1.194 7 9
C3H7ONO Propyl nitrite 1.157 5 6
    1.153 5 6
CH3ONO Methyl nitrite 1.325 2 6
    1.325 2 6
    1.325 2 6
C2H5NO3 Nitric acid, ethyl ester 1.328 1 2
    1.328 1 2
    1.328 1 2
HNO3 Nitric acid 1.188 1 3
    1.188 1 3
    1.188 1 3
N2O5 Dinitrogen pentoxide 1.167 3 7
    1.170 3 7
N2O4 Dinitrogen tetroxide 1.165 1 3
    1.165 2 5
    1.165 1 3
    1.165 2 5
ClONO2 Chlorine nitrate 1.172 3 4
HCNO fulminic acid 1.201 1 2
C2H6N2O2 (E)-Azodioxymethane 1.257 1 3
    1.257 1 3
    1.259 1 3
BrONO Bromine nitrite 1.342 2 3
NO3+ nitrogen trioxide cation 1.334 1 2
NO3- nitrate anion 1.111 1 2
NO3 Nitrogen trioxide 1.111 1 2
NO3+ nitrogen trioxide cation 1.111 1 2
NO3- nitrate anion 1.111 1 2
NO3 Nitrogen trioxide 1.111 1 2
NO3+ nitrogen trioxide cation 1.111 1 2
NO3- nitrate anion 1.179 1 2
NO3 Nitrogen trioxide 1.179 1 2
NO3+ nitrogen trioxide cation 1.179 1 2
BrONO Bromine nitrite 1.148 3 4
ONONO Nitrosyl nitrite 1.145 3 5
CH3NO3 Methyl nitrate 1.186 1 2
    1.186 1 2
    1.187 1 2
H2NO3+ Nitric Acid, Protonated 1.278 1 3
HOONO2 peroxy nitric acid 1.173 1 4
CH3CHNOH Acetaldoxime 1.375 3 4
    1.403 3 4
    1.375 3 4
CH3ONO Methyl nitrite 1.162 6 7
    1.162 6 7
    1.162 6 7
HNO2 Nitrous acid 1.347 2 3
HNO2+ nitrous acid cation 1.347 2 3
HNO2 Nitrous acid 1.423 2 3
HNO2+ nitrous acid cation 1.423 2 3
HNO2 Nitrous acid 1.347 2 3
HNO2+ nitrous acid cation 1.347 2 3
HNO2 Nitrous acid 1.254 2 3
HNO2+ nitrous acid cation 1.254 2 3
HNO2 Nitrous acid 1.254 2 3
HNO2+ nitrous acid cation 1.254 2 3
N2O Nitrous oxide 1.294 2 3
N2O+ Nitrous oxide cation 1.294 2 3
N2O- Nitrous oxide anion 1.294 2 3
N2O Nitrous oxide 1.179 2 3
N2O+ Nitrous oxide cation 1.179 2 3
N2O- Nitrous oxide anion 1.179 2 3
N2O Nitrous oxide 1.179 2 3
N2O+ Nitrous oxide cation 1.179 2 3
N2O- Nitrous oxide anion 1.179 2 3
N2O Nitrous oxide 1.233 2 3
N2O+ Nitrous oxide cation 1.233 2 3
N2O- Nitrous oxide anion 1.233 2 3
N2O Nitrous oxide 1.233 2 3
N2O+ Nitrous oxide cation 1.233 2 3
N2O- Nitrous oxide anion 1.233 2 3
N2O5 Dinitrogen pentoxide 2.937 2 6
    2.457 3 5
    1.170 2 6
    1.166 3 5
N2O4 Dinitrogen tetroxide 1.165 1 4
    1.165 1 4
FNO3 Fluorine nitrate 1.165 1 3
    1.165 1 3
NO3- nitrate anion 1.226 1 3
NO3 Nitrogen trioxide 1.226 1 3
NO3+ nitrogen trioxide cation 1.226 1 3
NO3- nitrate anion 1.175 1 3
NO3 Nitrogen trioxide 1.175 1 3
NO3+ nitrogen trioxide cation 1.175 1 3
NO3- nitrate anion 1.197 1 3
NO3 Nitrogen trioxide 1.197 1 3
NO3+ nitrogen trioxide cation 1.197 1 3
NO3- nitrate anion 1.175 1 3
NO3 Nitrogen trioxide 1.175 1 3
NO3+ nitrogen trioxide cation 1.175 1 3
NO3- nitrate anion 1.273 1 3
NO3 Nitrogen trioxide 1.273 1 3
NO3+ nitrogen trioxide cation 1.273 1 3
NO3- nitrate anion 1.273 1 3
NO3 Nitrogen trioxide 1.273 1 3
NO3+ nitrogen trioxide cation 1.273 1 3
NO3- nitrate anion 1.179 1 3
NO3 Nitrogen trioxide 1.179 1 3
NO3+ nitrogen trioxide cation 1.179 1 3
C2H6N2O2 (E)-Azodioxymethane 1.257 2 4
    1.257 2 4
    1.259 2 4
NH3O Ammonia Oxide 1.376 1 2
ONONO Nitrosyl nitrite 1.379 1 3
CH3NO2 Methane, nitro- 1.192 2 6
    1.192 2 6
    1.192 2 6
CH3CH(CH3)ONO Iso-propyl nitrite 1.157 12 13
    1.157 12 13
    1.157 12 13
C4H11NO Diethylhydroxylamine 1.393 1 2
    1.393 1 2
    1.393 1 2
H2NO3+ Nitric Acid, Protonated 1.144 1 2
BrNO Nitrosyl bromide 1.110 1 3
C6H5NO2 Nitrobenzene 1.194 7 8
    1.194 7 8
    1.194 7 8
C2H5NO3 Nitric acid, ethyl ester 1.187 1 4
    1.187 1 4
    1.187 1 4
HNO3 Nitric acid 1.172 1 4
    1.172 1 4
    1.172 1 4
HNO2 Nitrous acid 1.153 3 4
HNO2+ nitrous acid cation 1.153 3 4
HNO2 Nitrous acid 1.186 3 4
HNO2+ nitrous acid cation 1.186 3 4
HNO2 Nitrous acid 1.153 3 4
HNO2+ nitrous acid cation 1.153 3 4
HNO2 Nitrous acid 1.146 3 4
HNO2+ nitrous acid cation 1.146 3 4
HNO2 Nitrous acid 1.146 3 4
HNO2+ nitrous acid cation 1.146 3 4
N2O5 Dinitrogen pentoxide 1.381 1 2
    1.165 2 4
    1.396 1 2
    1.166 2 4
NO2- Nitrogen dioxide anion 1.229 1 2
NO2 Nitrogen dioxide 1.229 1 2
NO2+ Nitrogen dioxide cation 1.229 1 2
NO2- Nitrogen dioxide anion 1.229 1 2
NO2 Nitrogen dioxide 1.229 1 2
NO2+ Nitrogen dioxide cation 1.229 1 2
NO2- Nitrogen dioxide anion 1.164 1 2
NO2 Nitrogen dioxide 1.164 1 2
NO2+ Nitrogen dioxide cation 1.164 1 2
NO2- Nitrogen dioxide anion 1.164 1 2
NO2 Nitrogen dioxide 1.164 1 2
NO2+ Nitrogen dioxide cation 1.164 1 2
NO2- Nitrogen dioxide anion 1.091 1 2
NO2 Nitrogen dioxide 1.091 1 2
NO2+ Nitrogen dioxide cation 1.091 1 2
NO2- Nitrogen dioxide anion 1.091 1 2
NO2 Nitrogen dioxide 1.091 1 2
NO2+ Nitrogen dioxide cation 1.091 1 2
N2O4 Dinitrogen tetroxide 1.165 2 6
    1.165 2 6
N2O3 Dinitrogen trioxide 1.132 1 3
    1.177 2 5
    1.132 1 3
    1.177 2 5
    1.132 1 3
    1.177 2 5
F3NO Nitrogen trifluoride oxide 1.172 1 2
    1.172 1 2
    1.172 1 2
HNO- Nitrosyl hydride anion 1.299 2 3
HNO Nitrosyl hydride 1.299 2 3
HNO+ Nitrosyl hydride cation 1.299 2 3
HNO- Nitrosyl hydride anion 1.299 2 3
HNO Nitrosyl hydride 1.299 2 3
HNO+ Nitrosyl hydride cation 1.299 2 3
HNO- Nitrosyl hydride anion 1.175 2 3
HNO Nitrosyl hydride 1.175 2 3
HNO+ Nitrosyl hydride cation 1.175 2 3
HNO- Nitrosyl hydride anion 1.175 2 3
HNO Nitrosyl hydride 1.175 2 3
HNO+ Nitrosyl hydride cation 1.175 2 3
HNO- Nitrosyl hydride anion 1.175 2 3
HNO Nitrosyl hydride 1.175 2 3
HNO+ Nitrosyl hydride cation 1.175 2 3
HNO- Nitrosyl hydride anion 1.108 2 3
HNO Nitrosyl hydride 1.108 2 3
HNO+ Nitrosyl hydride cation 1.108 2 3
HNO- Nitrosyl hydride anion 1.108 2 3
HNO Nitrosyl hydride 1.108 2 3
HNO+ Nitrosyl hydride cation 1.108 2 3
C3H3NO Isoxazole 1.361 5 8
    1.361 5 8
    1.361 5 8
C2H6N2O2 Dimethylnitroamine 1.197 2 11
    1.197 2 11
    1.197 2 11
FNO3 Fluorine nitrate 1.385 1 2
    1.385 1 2
NO3- nitrate anion 1.226 1 4
NO3 Nitrogen trioxide 1.226 1 4
NO3+ nitrogen trioxide cation 1.226 1 4
NO3- nitrate anion 1.175 1 4
NO3 Nitrogen trioxide 1.175 1 4
NO3+ nitrogen trioxide cation 1.175 1 4
NO3- nitrate anion 1.197 1 4
NO3 Nitrogen trioxide 1.197 1 4
NO3+ nitrogen trioxide cation 1.197 1 4
NO3- nitrate anion 1.175 1 4
NO3 Nitrogen trioxide 1.175 1 4
NO3+ nitrogen trioxide cation 1.175 1 4
NO3- nitrate anion 1.273 1 4
NO3 Nitrogen trioxide 1.273 1 4
NO3+ nitrogen trioxide cation 1.273 1 4
NO3- nitrate anion 1.273 1 4
NO3 Nitrogen trioxide 1.273 1 4
NO3+ nitrogen trioxide cation 1.273 1 4
NO3- nitrate anion 1.179 1 4
NO3 Nitrogen trioxide 1.179 1 4
NO3+ nitrogen trioxide cation 1.179 1 4
C4H5NO 3-Methylisoxazole 1.365 6 7
    1.365 6 7
    1.365 6 7
CNO- fulminate 1.275 1 3
    1.275 1 3
ONONO Nitrosyl nitrite 1.379 1 2
    1.145 2 4