return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

mPW1PW91/3-21G*

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 25 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 20 line line line 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
histogram chart 15 line line line line line line 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 line line line histogram chart line line line 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 line line line
histogram chart 5 line line line 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
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
1.295 0.116

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.080
Highest value HOONO2 peroxy nitric acid 1.564

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NHCH2COOH Sarcosine 1.092 2 10
C2H5NO3 Nitric acid, ethyl ester 1.242 1 3
C3H7ONO Propyl nitrite 1.495 4 5
    1.439 4 5
H2NO3+ Nitric Acid, Protonated 1.375 1 4
NH2OH hydroxylamine 1.499 1 2
NO3- nitrate anion 1.459 1 2
NO3 Nitrogen trioxide 1.459 1 2
NO3+ nitrogen trioxide cation 1.459 1 2
NO3- nitrate anion 1.296 1 2
NO3 Nitrogen trioxide 1.296 1 2
NO3+ nitrogen trioxide cation 1.296 1 2
NO3- nitrate anion 1.154 1 2
NO3 Nitrogen trioxide 1.154 1 2
NO3+ nitrogen trioxide cation 1.154 1 2
NO3- nitrate anion 1.277 1 2
NO3 Nitrogen trioxide 1.277 1 2
NO3+ nitrogen trioxide cation 1.277 1 2
ClONO2 Chlorine nitrate 1.561 2 3
    1.233 3 5
NO- nitric oxide anion 1.335 1 2
NO Nitric oxide 1.335 1 2
NO+ nitric oxide cation 1.335 1 2
NO- nitric oxide anion 1.335 1 2
NO Nitric oxide 1.335 1 2
NO+ nitric oxide cation 1.335 1 2
NO- nitric oxide anion 1.080 1 2
NO Nitric oxide 1.080 1 2
NO+ nitric oxide cation 1.080 1 2
NO2- Nitrogen dioxide anion 1.327 1 3
NO2 Nitrogen dioxide 1.327 1 3
NO2+ Nitrogen dioxide cation 1.327 1 3
NO2- Nitrogen dioxide anion 1.147 1 3
NO2 Nitrogen dioxide 1.147 1 3
NO2+ Nitrogen dioxide cation 1.147 1 3
N2O3 Dinitrogen trioxide 1.246 2 4
BrONO Bromine nitrite 1.194 3 4
ONONO Nitrosyl nitrite 1.197 3 5
CH3ONO Methyl nitrite 1.465 2 6
C2H5NO3 Nitric acid, ethyl ester 1.469 1 2
HCNO fulminic acid 1.243 1 2
C3H7ONO Propyl nitrite 1.212 5 6
    1.216 5 6
ClONO2 Chlorine nitrate 1.229 3 4
HOONO2 peroxy nitric acid 1.564 1 2
    1.235 1 5
C2H6N2O2 (E)-Azodioxymethane 1.317 1 3
BrONO Bromine nitrite 1.561 2 3
C2H5NO3 Nitric acid, ethyl ester 1.255 1 4
HNO2 Nitrous acid 1.162 3 4
HNO2+ nitrous acid cation 1.162 3 4
BrNO Nitrosyl bromide 1.183 1 3
H2NO3+ Nitric Acid, Protonated 1.209 1 2
NO3- nitrate anion 1.242 1 4
NO3 Nitrogen trioxide 1.242 1 4
NO3+ nitrogen trioxide cation 1.242 1 4
NO3- nitrate anion 1.268 1 4
NO3 Nitrogen trioxide 1.268 1 4
NO3+ nitrogen trioxide cation 1.268 1 4
NO3- nitrate anion 1.434 1 4
NO3 Nitrogen trioxide 1.434 1 4
NO3+ nitrogen trioxide cation 1.434 1 4
NO3- nitrate anion 1.277 1 4
NO3 Nitrogen trioxide 1.277 1 4
NO3+ nitrogen trioxide cation 1.277 1 4
HNO- Nitrosyl hydride anion 1.389 2 3
HNO Nitrosyl hydride 1.389 2 3
HNO+ Nitrosyl hydride cation 1.389 2 3
HNO- Nitrosyl hydride anion 1.154 2 3
HNO Nitrosyl hydride 1.154 2 3
HNO+ Nitrosyl hydride cation 1.154 2 3
NO2- Nitrogen dioxide anion 1.327 1 2
NO2 Nitrogen dioxide 1.327 1 2
NO2+ Nitrogen dioxide cation 1.327 1 2
NO2- Nitrogen dioxide anion 1.147 1 2
NO2 Nitrogen dioxide 1.147 1 2
NO2+ Nitrogen dioxide cation 1.147 1 2
N2O3 Dinitrogen trioxide 1.179 1 3
    1.242 2 5
CNO- fulminate 1.317 1 3
ONONO Nitrosyl nitrite 1.550 1 2
    1.197 2 4
CH3ONO Methyl nitrite 1.225 6 7
HNO2 Nitrous acid 1.395 2 3
HNO2+ nitrous acid cation 1.395 2 3
H2NO3+ Nitric Acid, Protonated 1.375 1 3
NO3- nitrate anion 1.242 1 3
NO3 Nitrogen trioxide 1.242 1 3
NO3+ nitrogen trioxide cation 1.242 1 3
NO3- nitrate anion 1.268 1 3
NO3 Nitrogen trioxide 1.268 1 3
NO3+ nitrogen trioxide cation 1.268 1 3
NO3- nitrate anion 1.434 1 3
NO3 Nitrogen trioxide 1.434 1 3
NO3+ nitrogen trioxide cation 1.434 1 3
NO3- nitrate anion 1.277 1 3
NO3 Nitrogen trioxide 1.277 1 3
NO3+ nitrogen trioxide cation 1.277 1 3
HOONO2 peroxy nitric acid 1.233 1 4
N2O Nitrous oxide 1.291 2 3
N2O+ Nitrous oxide cation 1.291 2 3
N2O- Nitrous oxide anion 1.291 2 3
C2H6N2O2 (E)-Azodioxymethane 1.317 2 4
NH3O Ammonia Oxide 1.449 1 2
ONONO Nitrosyl nitrite 1.550 1 3