return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

MP2=FULL/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 40 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 35 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 line line line
histogram chart 30 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 line line line
histogram chart 25 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 line line line
histogram chart 20 line line line line line line line line line line histogram chart 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
histogram chart 15 line line line line line line line histogram chart line line histogram chart 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
histogram chart 10 line line line line line line line histogram chart line line histogram chart line line line line line histogram chart line line line line line histogram chart line line line line line line line line line line line line line line line line
histogram chart 5 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 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 line 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
1.258 0.101

  Species Name Bond Length (Å)
Lowest value CH3NHCH2COOH Sarcosine 1.087
Highest value FNO3 Fluorine nitrate 1.551

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NO2 Methane, nitro- 1.240 2 6
C3H3NO Isoxazole 1.389 5 8
H2NO3+ Nitric Acid, Protonated 1.199 1 2
HNO3 Nitric acid 1.215 1 4
HNO2 Nitrous acid 1.197 3 4
HNO2+ nitrous acid cation 1.197 3 4
HNO2 Nitrous acid 1.126 3 4
HNO2+ nitrous acid cation 1.126 3 4
C2H5NO3 Nitric acid, ethyl ester 1.224 1 4
BrNO Nitrosyl bromide 1.156 1 3
FNO3 Fluorine nitrate 1.551 1 2
NO3- nitrate anion 1.215 1 4
NO3 Nitrogen trioxide 1.215 1 4
NO3+ nitrogen trioxide cation 1.215 1 4
NO3- nitrate anion 1.331 1 4
NO3 Nitrogen trioxide 1.331 1 4
NO3+ nitrogen trioxide cation 1.331 1 4
NO3- nitrate anion 1.293 1 4
NO3 Nitrogen trioxide 1.293 1 4
NO3+ nitrogen trioxide cation 1.293 1 4
HNO- Nitrosyl hydride anion 1.345 2 3
HNO Nitrosyl hydride 1.345 2 3
HNO+ Nitrosyl hydride cation 1.345 2 3
HNO- Nitrosyl hydride anion 1.236 2 3
HNO Nitrosyl hydride 1.236 2 3
HNO+ Nitrosyl hydride cation 1.236 2 3
HNO- Nitrosyl hydride anion 1.104 2 3
HNO Nitrosyl hydride 1.104 2 3
HNO+ Nitrosyl hydride cation 1.104 2 3
NO2- Nitrogen dioxide anion 1.281 1 2
NO2 Nitrogen dioxide 1.281 1 2
NO2+ Nitrogen dioxide cation 1.281 1 2
NO2- Nitrogen dioxide anion 1.216 1 2
NO2 Nitrogen dioxide 1.216 1 2
NO2+ Nitrogen dioxide cation 1.216 1 2
NO2- Nitrogen dioxide anion 1.155 1 2
NO2 Nitrogen dioxide 1.155 1 2
NO2+ Nitrogen dioxide cation 1.155 1 2
N2O3 Dinitrogen trioxide 1.173 1 3
    1.220 2 5
F3NO Nitrogen trifluoride oxide 1.164 1 2
CNO- fulminate 1.267 1 3
ONONO Nitrosyl nitrite 1.501 1 2
    1.183 2 4
CH3NO2 Methane, nitro- 1.240 2 7
C3H7ONO Propyl nitrite 1.201 5 6
    1.202 5 6
HNO3 Nitric acid 1.225 1 3
CH3ONO Methyl nitrite 1.394 2 6
C2H5NO3 Nitric acid, ethyl ester 1.413 1 2
ClNO2 Nitryl chloride 1.206 2 3
HOONO2 peroxy nitric acid 1.531 1 2
    1.205 1 5
ClONO2 Chlorine nitrate 1.203 3 4
BrONO Bromine nitrite 1.536 2 3
HCNO fulminic acid 1.204 1 2
CH3NO3 Methyl nitrate 1.218 1 3
CH3NHCH2COOH Sarcosine 1.087 2 10
C3H7ONO Propyl nitrite 1.414 4 5
    1.394 4 5
H2NO3+ Nitric Acid, Protonated 1.310 1 4
HNO3 Nitric acid 1.411 1 2
C2H5NO3 Nitric acid, ethyl ester 1.219 1 3
ClNO2 Nitryl chloride 1.206 2 4
FNO Nitrosyl fluoride 1.160 2 3
FNO3 Fluorine nitrate 1.205 1 4
NH2OH hydroxylamine 1.448 1 2
NO3- nitrate anion 1.389 1 2
NO3 Nitrogen trioxide 1.389 1 2
NO3+ nitrogen trioxide cation 1.389 1 2
NO3- nitrate anion 1.162 1 2
NO3 Nitrogen trioxide 1.162 1 2
NO3+ nitrogen trioxide cation 1.162 1 2
NO3- nitrate anion 1.293 1 2
NO3 Nitrogen trioxide 1.293 1 2
NO3+ nitrogen trioxide cation 1.293 1 2
ClONO2 Chlorine nitrate 1.547 2 3
    1.206 3 5
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 1.289 1 2
NO Nitric oxide 1.289 1 2
NO+ nitric oxide cation 1.289 1 2
NO- nitric oxide anion 1.143 1 2
NO Nitric oxide 1.143 1 2
NO+ nitric oxide cation 1.143 1 2
NO- nitric oxide anion 1.103 1 2
NO Nitric oxide 1.103 1 2
NO+ nitric oxide cation 1.103 1 2
NO2- Nitrogen dioxide anion 1.281 1 3
NO2 Nitrogen dioxide 1.281 1 3
NO2+ Nitrogen dioxide cation 1.281 1 3
NO2- Nitrogen dioxide anion 1.216 1 3
NO2 Nitrogen dioxide 1.216 1 3
NO2+ Nitrogen dioxide cation 1.216 1 3
NO2- Nitrogen dioxide anion 1.155 1 3
NO2 Nitrogen dioxide 1.155 1 3
NO2+ Nitrogen dioxide cation 1.155 1 3
N2O3 Dinitrogen trioxide 1.222 2 4
BrONO Bromine nitrite 1.174 3 4
ONONO Nitrosyl nitrite 1.183 3 5
CH3NO3 Methyl nitrate 1.415 1 4
ClNO Nitrosyl chloride 1.156 2 3
CH3CHNOH Acetaldoxime 1.414 3 4
H2NO3+ Nitric Acid, Protonated 1.310 1 3
HNO2 Nitrous acid 1.423 2 3
HNO2+ nitrous acid cation 1.423 2 3
HNO2 Nitrous acid 1.304 2 3
HNO2+ nitrous acid cation 1.304 2 3
N2O Nitrous oxide 1.192 2 3
N2O+ Nitrous oxide cation 1.192 2 3
N2O- Nitrous oxide anion 1.192 2 3
N2O Nitrous oxide 1.242 2 3
N2O+ Nitrous oxide cation 1.242 2 3
N2O- Nitrous oxide anion 1.242 2 3
CH3ONO Methyl nitrite 1.210 6 7
FNO3 Fluorine nitrate 1.199 1 3
NO3- nitrate anion 1.215 1 3
NO3 Nitrogen trioxide 1.215 1 3
NO3+ nitrogen trioxide cation 1.215 1 3
NO3- nitrate anion 1.331 1 3
NO3 Nitrogen trioxide 1.331 1 3
NO3+ nitrogen trioxide cation 1.331 1 3
NO3- nitrate anion 1.293 1 3
NO3 Nitrogen trioxide 1.293 1 3
NO3+ nitrogen trioxide cation 1.293 1 3
HOONO2 peroxy nitric acid 1.209 1 4
NH3O Ammonia Oxide 1.360 1 2
ONONO Nitrosyl nitrite 1.501 1 3
CH3NO3 Methyl nitrate 1.224 1 2