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 H-N

17 01 10 14 40

CCSD=FULL/aug-cc-pVQZ

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


Values greater than 1.08 are in the 1.08 bin. Values less than 0.98 are in the 0.98 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 histogram chart 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 line 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 5 line line line line line line line line 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 line line line histogram chart line line histogram chart line line line line line line line
0.98 0.99 1.00 1.01 1.02 1.03 1.04 1.05 1.06 1.07 1.08
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.019 0.012

  Species Name Bond Length (Å)
Lowest value HBNH Boranimine 0.987
Highest value HNO+ Nitrosyl hydride cation 1.063

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NH2 Amino radical 1.021 1 2
    1.021 1 3
NH2+ Amino cation 1.028 1 2
    1.028 1 3
NH3- Ammonia anion 1.013 1 2
    1.013 1 3
    1.013 1 4
NH3 Ammonia 1.008 1 2
    1.008 1 3
    1.008 1 4
NH3+ ammonia cation 1.018 1 2
    1.018 1 3
    1.018 1 4
NH4 Ammonium radical 1.033 1 2
    1.033 1 3
    1.033 1 4
    1.033 1 5
NH4+ ammonium cation 1.018 1 2
    1.018 1 3
    1.018 1 4
    1.018 1 5
NNH+ Dinitrogen monohydride cation 1.030 2 3
HNO Nitrosyl hydride 1.047 1 2
HNO+ Nitrosyl hydride cation 1.063 1 2
CNH2 Aminomethylidyne radical 1.013 2 3
    1.013 2 4
HBNH Boranimine 0.987 2 4
N2H2 (Z)-Diazene 1.029 1 3
    1.029 2 4
N2H2 (E)-diazene 1.025 1 3
    1.025 2 4
H2NN Isodiazene 1.029 1 3
    1.029 1 4
HCNH methyleneazane 1.013 2 4
NH2Cl chloramine 1.011 1 3
    1.011 1 4
CH2NH+ Methanimine cation 1.015 2 5
CHNH2 aminomethylene 1.010 2 4
    1.005 2 5
NH2OH hydroxylamine 1.011 1 4
    1.011 1 5
BH2NH2 Boranamine 1.001 2 5
    1.001 2 6
HN3 hydrogen azide 1.012 1 4
NHF2 difluoramine 1.019 1 2
NHCl2 dichloroamine 1.013 1 2
HNCNH diiminomethane 1.005 2 4
    1.005 3 5
HNNNH+ 1,2-Triazadienium 1.025 2 4
    1.025 3 5
NH3CN+ cyanamide, amine protonated 1.026 2 4
    1.026 2 5
    1.026 2 6
NHCHSH Methanimidothioic acid 1.013 1 4