return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

B1B95/6-311G**

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


Values greater than 1.55 are in the 1.55 bin. Values less than 1.05 are in the 1.05 bin.

histogram chart 70 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 60 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
histogram chart 50 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
histogram chart 40 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
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
histogram chart 20 line line line 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
histogram chart 10 line line 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 histogram chart 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 line line
1.05 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
1.231 0.091

  Species Name Bond Length (Å)
Lowest value CH3NHCH2COOH Sarcosine 1.090
Highest value FNO3 Fluorine nitrate 1.500

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NHCH2COOH Sarcosine 1.090 2 10
C3H7ONO Propyl nitrite 1.393 4 5
    1.374 4 5
CH3NO3 Methyl nitrate 1.403 1 4
C2H5NO3 Nitric acid, ethyl ester 1.192 1 3
NO3- nitrate anion 1.224 1 2
NO3 Nitrogen trioxide 1.224 1 2
NO3+ nitrogen trioxide cation 1.224 1 2
NO3- nitrate anion 1.210 1 2
NO3 Nitrogen trioxide 1.210 1 2
NO3+ nitrogen trioxide cation 1.210 1 2
NO3- nitrate anion 1.127 1 2
NO3 Nitrogen trioxide 1.127 1 2
NO3+ nitrogen trioxide cation 1.127 1 2
NO3- nitrate anion 1.213 1 2
NO3 Nitrogen trioxide 1.213 1 2
NO3+ nitrogen trioxide cation 1.213 1 2
HNO3 Nitric acid 1.395 1 2
ClNO2 Nitryl chloride 1.178 2 4
ClONO2 Chlorine nitrate 1.478 2 3
    1.181 3 5
ClNO Nitrosyl chloride 1.122 2 3
H2NO3+ Nitric Acid, Protonated 1.297 1 4
FNO Nitrosyl fluoride 1.130 2 3
FNO3 Fluorine nitrate 1.181 1 4
NH2OH hydroxylamine 1.429 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 1.260 1 2
NO Nitric oxide 1.260 1 2
NO+ nitric oxide cation 1.260 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
NO2- Nitrogen dioxide anion 1.256 1 3
NO2 Nitrogen dioxide 1.256 1 3
NO2+ Nitrogen dioxide cation 1.256 1 3
NO2- Nitrogen dioxide anion 1.187 1 3
NO2 Nitrogen dioxide 1.187 1 3
NO2+ Nitrogen dioxide cation 1.187 1 3
NO2- Nitrogen dioxide anion 1.112 1 3
NO2 Nitrogen dioxide 1.112 1 3
NO2+ Nitrogen dioxide cation 1.112 1 3
N2O3 Dinitrogen trioxide 1.194 2 4
C2H6N2O2 Dimethylnitroamine 1.217 1 11
BrONO Bromine nitrite 1.150 3 4
ONONO Nitrosyl nitrite 1.152 3 5
CH3NO2 Methane, nitro- 1.212 2 6
C6H5NO2 Nitrobenzene 1.215 7 8
C3H3NO Isoxazole 1.376 5 8
C2H5NO3 Nitric acid, ethyl ester 1.202 1 4
C4H11NO Diethylhydroxylamine 1.414 1 2
NO3- nitrate anion 1.224 1 4
NO3 Nitrogen trioxide 1.224 1 4
NO3+ nitrogen trioxide cation 1.224 1 4
NO3- nitrate anion 1.210 1 4
NO3 Nitrogen trioxide 1.210 1 4
NO3+ nitrogen trioxide cation 1.210 1 4
NO3- nitrate anion 1.299 1 4
NO3 Nitrogen trioxide 1.299 1 4
NO3+ nitrogen trioxide cation 1.299 1 4
NO3- nitrate anion 1.213 1 4
NO3 Nitrogen trioxide 1.213 1 4
NO3+ nitrogen trioxide cation 1.213 1 4
F3NO Nitrogen trifluoride oxide 1.152 1 2
CH3CH(CH3)ONO Iso-propyl nitrite 1.167 12 13
C2H6N2O2 Dimethylnitroamine 1.217 2 11
HNO3 Nitric acid 1.188 1 4
HNO2 Nitrous acid 1.163 3 4
HNO2+ nitrous acid cation 1.163 3 4
HNO2 Nitrous acid 1.132 3 4
HNO2+ nitrous acid cation 1.132 3 4
BrNO Nitrosyl bromide 1.123 1 3
HNO- Nitrosyl hydride anion 1.321 2 3
HNO Nitrosyl hydride 1.321 2 3
HNO+ Nitrosyl hydride cation 1.321 2 3
HNO- Nitrosyl hydride anion 1.193 2 3
HNO Nitrosyl hydride 1.193 2 3
HNO+ Nitrosyl hydride cation 1.193 2 3
HNO- Nitrosyl hydride anion 1.116 2 3
HNO Nitrosyl hydride 1.116 2 3
HNO+ Nitrosyl hydride cation 1.116 2 3
H2NO3+ Nitric Acid, Protonated 1.164 1 2
FNO3 Fluorine nitrate 1.500 1 2
NO2- Nitrogen dioxide anion 1.256 1 2
NO2 Nitrogen dioxide 1.256 1 2
NO2+ Nitrogen dioxide cation 1.256 1 2
NO2- Nitrogen dioxide anion 1.187 1 2
NO2 Nitrogen dioxide 1.187 1 2
NO2+ Nitrogen dioxide cation 1.187 1 2
NO2- Nitrogen dioxide anion 1.112 1 2
NO2 Nitrogen dioxide 1.112 1 2
NO2+ Nitrogen dioxide cation 1.112 1 2
N2O4 Dinitrogen tetroxide 1.181 2 6
N2O3 Dinitrogen trioxide 1.131 1 3
    1.192 2 5
C4H5NO 3-Methylisoxazole 1.379 6 7
CNO- fulminate 1.253 1 3
ONONO Nitrosyl nitrite 1.460 1 2
    1.152 2 4
CH3CHNOH Acetaldoxime 1.391 3 4
CH3NO3 Methyl nitrate 1.201 1 2
CH3ONO Methyl nitrite 1.177 6 7
NO3- nitrate anion 1.224 1 3
NO3 Nitrogen trioxide 1.224 1 3
NO3+ nitrogen trioxide cation 1.224 1 3
NO3- nitrate anion 1.210 1 3
NO3 Nitrogen trioxide 1.210 1 3
NO3+ nitrogen trioxide cation 1.210 1 3
NO3- nitrate anion 1.299 1 3
NO3 Nitrogen trioxide 1.299 1 3
NO3+ nitrogen trioxide cation 1.299 1 3
NO3- nitrate anion 1.213 1 3
NO3 Nitrogen trioxide 1.213 1 3
NO3+ nitrogen trioxide cation 1.213 1 3
HNO2 Nitrous acid 1.410 2 3
HNO2+ nitrous acid cation 1.410 2 3
HNO2 Nitrous acid 1.278 2 3
HNO2+ nitrous acid cation 1.278 2 3
HOONO2 peroxy nitric acid 1.182 1 4
H2NO3+ Nitric Acid, Protonated 1.297 1 3
FNO3 Fluorine nitrate 1.175 1 3
N2O Nitrous oxide 1.176 2 3
N2O+ Nitrous oxide cation 1.176 2 3
N2O- Nitrous oxide anion 1.176 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
N2O4 Dinitrogen tetroxide 1.181 1 4
C2H6N2O2 (E)-Azodioxymethane 1.255 2 4
NH3O Ammonia Oxide 1.338 1 2
ONONO Nitrosyl nitrite 1.460 1 3
CH3NO2 Methane, nitro- 1.212 2 7
C6H5NO2 Nitrobenzene 1.215 7 9
C3H7ONO Propyl nitrite 1.167 5 6
    1.173 5 6
CH3NO3 Methyl nitrate 1.191 1 3
HCNO fulminic acid 1.191 1 2
CH3ONO Methyl nitrite 1.381 2 6
C2H5NO3 Nitric acid, ethyl ester 1.400 1 2
HNO3 Nitric acid 1.203 1 3
ClNO2 Nitryl chloride 1.178 2 3
ClONO2 Chlorine nitrate 1.179 3 4
HOONO2 peroxy nitric acid 1.485 1 2
    1.182 1 5
C4H5NO Isoxazole, 5-methyl- 1.380 6 7
N2O4 Dinitrogen tetroxide 1.181 1 3
    1.181 2 5
CH3CH(CH3)ONO Iso-propyl nitrite 1.403 11 13
C2H6N2O2 (E)-Azodioxymethane 1.255 1 3
BrONO Bromine nitrite 1.463 2 3