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III.G.1.a.

Compare Calculated Bonds for N-O

QCISD/cc-pVDZ

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


Values greater than 1.55 are in the 1.55 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.242 0.091

  Species Name Bond Length (Å)
Lowest value CH3NHCH2COOH Sarcosine 1.103
Highest value BrONO Bromine nitrite 1.493

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2NO3+ Nitric Acid, Protonated 1.315 1 4
FNO Nitrosyl fluoride 1.148 2 3
NH2OH hydroxylamine 1.443 1 2
C3H7ONO Propyl nitrite 1.422 4 5
    1.408 4 5
NO- nitric oxide anion 1.281 1 2
NO Nitric oxide 1.281 1 2
NO+ nitric oxide cation 1.281 1 2
NO- nitric oxide anion 1.280 1 2
NO Nitric oxide 1.280 1 2
NO+ nitric oxide cation 1.280 1 2
NO- nitric oxide anion 1.166 1 2
NO Nitric oxide 1.166 1 2
NO+ nitric oxide cation 1.166 1 2
NO2- Nitrogen dioxide anion 1.267 1 3
NO2 Nitrogen dioxide 1.267 1 3
NO2+ Nitrogen dioxide cation 1.267 1 3
NO2- Nitrogen dioxide anion 1.200 1 3
NO2 Nitrogen dioxide 1.200 1 3
NO2+ Nitrogen dioxide cation 1.200 1 3
NO2- Nitrogen dioxide anion 1.126 1 3
NO2 Nitrogen dioxide 1.126 1 3
NO2+ Nitrogen dioxide cation 1.126 1 3
N2O3 Dinitrogen trioxide 1.206 2 4
CH3NHCH2COOH Sarcosine 1.103 2 10
ClNO Nitrosyl chloride 1.144 2 3
NO3- nitrate anion 1.289 1 2
NO3 Nitrogen trioxide 1.289 1 2
NO3+ nitrogen trioxide cation 1.289 1 2
NO3- nitrate anion 1.142 1 2
NO3 Nitrogen trioxide 1.142 1 2
NO3+ nitrogen trioxide cation 1.142 1 2
NO3- nitrate anion 1.226 1 2
NO3 Nitrogen trioxide 1.226 1 2
NO3+ nitrogen trioxide cation 1.226 1 2
ClONO2 Chlorine nitrate 1.480 2 3
    1.195 3 5
BrONO Bromine nitrite 1.166 3 4
ONONO Nitrosyl nitrite 1.170 3 5
HNO2 Nitrous acid 1.422 2 3
HNO2+ nitrous acid cation 1.422 2 3
HNO2 Nitrous acid 1.306 2 3
HNO2+ nitrous acid cation 1.306 2 3
H2NO3+ Nitric Acid, Protonated 1.315 1 3
CH3CHNOH Acetaldoxime 1.406 3 4
NO3- nitrate anion 1.220 1 3
NO3 Nitrogen trioxide 1.220 1 3
NO3+ nitrogen trioxide cation 1.220 1 3
NO3- nitrate anion 1.321 1 3
NO3 Nitrogen trioxide 1.321 1 3
NO3+ nitrogen trioxide cation 1.321 1 3
NO3- nitrate anion 1.226 1 3
NO3 Nitrogen trioxide 1.226 1 3
NO3+ nitrogen trioxide cation 1.226 1 3
HOONO2 peroxy nitric acid 1.196 1 4
N2O Nitrous oxide 1.195 2 3
N2O+ Nitrous oxide cation 1.195 2 3
N2O- Nitrous oxide anion 1.195 2 3
N2O Nitrous oxide 1.210 2 3
N2O+ Nitrous oxide cation 1.210 2 3
N2O- Nitrous oxide anion 1.210 2 3
NH3O Ammonia Oxide 1.360 1 2
ONONO Nitrosyl nitrite 1.479 1 3
HNO2 Nitrous acid 1.178 3 4
HNO2+ nitrous acid cation 1.178 3 4
HNO2 Nitrous acid 1.148 3 4
HNO2+ nitrous acid cation 1.148 3 4
C6H5NO2 Nitrobenzene 1.223 7 8
H2NO3+ Nitric Acid, Protonated 1.172 1 2
NO2- Nitrogen dioxide anion 1.267 1 2
NO2 Nitrogen dioxide 1.267 1 2
NO2+ Nitrogen dioxide cation 1.267 1 2
NO2- Nitrogen dioxide anion 1.200 1 2
NO2 Nitrogen dioxide 1.200 1 2
NO2+ Nitrogen dioxide cation 1.200 1 2
NO2- Nitrogen dioxide anion 1.126 1 2
NO2 Nitrogen dioxide 1.126 1 2
NO2+ Nitrogen dioxide cation 1.126 1 2
N2O3 Dinitrogen trioxide 1.154 1 3
    1.204 2 5
NO3- nitrate anion 1.220 1 4
NO3 Nitrogen trioxide 1.220 1 4
NO3+ nitrogen trioxide cation 1.220 1 4
NO3- nitrate anion 1.321 1 4
NO3 Nitrogen trioxide 1.321 1 4
NO3+ nitrogen trioxide cation 1.321 1 4
NO3- nitrate anion 1.226 1 4
NO3 Nitrogen trioxide 1.226 1 4
NO3+ nitrogen trioxide cation 1.226 1 4
BrNO Nitrosyl bromide 1.144 1 3
HNO- Nitrosyl hydride anion 1.330 2 3
HNO Nitrosyl hydride 1.330 2 3
HNO+ Nitrosyl hydride cation 1.330 2 3
HNO- Nitrosyl hydride anion 1.212 2 3
HNO Nitrosyl hydride 1.212 2 3
HNO+ Nitrosyl hydride cation 1.212 2 3
HNO- Nitrosyl hydride anion 1.137 2 3
HNO Nitrosyl hydride 1.137 2 3
HNO+ Nitrosyl hydride cation 1.137 2 3
CNO- fulminate 1.274 1 3
ONONO Nitrosyl nitrite 1.479 1 2
    1.170 2 4
C6H5NO2 Nitrobenzene 1.223 7 9
HCNO fulminic acid 1.208 1 2
C3H7ONO Propyl nitrite 1.180 5 6
    1.187 5 6
HOONO2 peroxy nitric acid 1.484 1 2
    1.196 1 5
ClONO2 Chlorine nitrate 1.193 3 4
BrONO Bromine nitrite 1.493 2 3