return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for N-N

17 01 10 14 40

LSDA/6-311G*

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


Values greater than 2.00 are in the 2.00 bin. Values less than 1.00 are in the 1.00 bin.

histogram chart 20 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 15 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 10 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 5 line line 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 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 line line line line line line line line line histogram chart line line histogram chart line line line line
1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.278 0.139

  Species Name Bond Length (Å)
Lowest value NNH+ Dinitrogen monohydride cation 1.095
Highest value N2O3 Dinitrogen trioxide 1.862

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
N2- nitrogen diatomic anion 1.195 1 2
N2 Nitrogen diatomic 1.099 1 2
N2+ diatomic nitrogen cation 1.109 1 2
NNH Dinitrogen monohydride 1.167 1 2
NNH+ Dinitrogen monohydride cation 1.095 1 2
N2H2 (Z)-Diazene 1.231 1 2
N2H2 (E)-diazene 1.237 1 2
N2H2+ trans-diazene cation 1.160 1 2
N2H4 Hydrazine 1.399 1 2
N2H4+ hydrazine cation 1.303 1 2
N2H5+ protonated hydrazine 1.414 1 2
N3 azide radical 1.178 1 2
    1.178 1 3
CN2 3H-Diazirin-3-ylidene 1.279 2 3
N2O- Nitrous oxide anion 1.203 1 2
N2O Nitrous oxide 1.133 1 2
NNS Nitrogen sulfide 1.135 1 2
HN3 hydrogen azide 1.223 1 2
    1.138 2 3
NNOH+ Nitrous Oxide, O-protonated 1.113 1 2
HNNO+ Nitrous oxide, N-protonated 1.140 1 2
NH2NO Nitrosamide 1.318 2 3
N2F2 Dinitrogen difluoride, (E)- 1.224 2 3
N2F2 (Z)-Difluorodiazene 1.211 2 3
NH2NO2 nitramide 1.376 1 2
CH3N3 methyl azide 1.216 2 3
    1.142 3 4
CH3NHN2+ methyl azide, protonated 1.263 2 3
    1.118 3 4
CH3NNCH3 (Z)-1,2-Dimethyldiazene 1.239 1 2
CH3NNCH3 (E)-1,2-Dimethyldiazene 1.237 1 2
CH3NHNHCH3 dimethyl hydrazine 1.394 1 2
N2O3 Dinitrogen trioxide 1.862 1 2
CH2N4 1H-Tetrazole 1.339 2 3
    1.276 3 4
    1.352 4 5
N2O4 Dinitrogen tetroxide 1.775 1 2
CH3N5 5-Aminotetrazole 1.355 3 4
    1.279 4 5
    1.345 5 6
C2H4N4 1H-Tetrazole, 5-methyl- 1.344 1 9
    1.339 7 8
    1.286 8 9
C2H4N4 1H-Tetrazole, 1-methyl- 1.338 2 3
    1.289 3 4
    1.344 4 5
C2H4N4 2H-Tetrazole, 2-methyl- 1.315 3 6
    1.302 4 5
    1.324 5 6
C2H6N2O2 Dimethylnitroamine 1.375 11 12
C2H6N2O2 (E)-Azodioxymethane 1.316 1 2
CH6N4S Carbonothioic dihydrazide 1.363 3 4
    1.377 5 6
C12H10N2 azobenzene 1.255 1 2