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-H

17 01 10 14 40

QCISD(TQ)=FULL/6-31+G**

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


Values greater than 1.80 are in the 1.80 bin. Values less than 1.00 are in the 1.00 bin.

histogram chart 60 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 50 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 40 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 30 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 20 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 10 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 0 line histogram chart line line histogram chart line line line line line line line line line line line line line line histogram chart line line line line line line line
1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.035 0.083

  Species Name Bond Length (Å)
Lowest value NH2CN cyanamide 1.004
Highest value N2H7+ ammonia ammonium dimer 1.628

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NH2 Amino radical 1.028 1 2
    1.028 1 3
NH3- Ammonia anion 1.026 1 2
    1.026 1 3
    1.026 1 4
NH3 Ammonia 1.013 1 2
    1.013 1 3
    1.013 1 4
NH3+ ammonia cation 1.023 1 2
    1.023 1 3
    1.023 1 4
NH4+ ammonium cation 1.023 1 2
    1.023 1 3
    1.023 1 4
    1.023 1 5
HNC+ hydrogen isocyanide cation 1.021 2 3
NNH+ Dinitrogen monohydride cation 1.036 2 3
HNO+ Nitrosyl hydride cation 1.065 1 2
N2H2 (Z)-Diazene 1.038 1 3
    1.038 2 4
N2H2 (E)-diazene 1.032 1 3
    1.032 2 4
N2H2+ trans-diazene cation 1.039 1 3
    1.039 2 4
CH2NH+ Methanimine cation 1.022 2 5
NH2OH hydroxylamine 1.019 1 4
    1.019 1 5
NH2OH+ Hydroxylamine cation 1.020 1 4
    1.019 1 5
N2H4+ hydrazine cation 1.014 1 3
    1.014 1 5
    1.014 2 4
    1.014 2 6
CH2NH2+ methyleneamine cation 1.018 2 5
    1.018 2 6
CH3NH2 methyl amine 1.014 2 6
    1.014 2 7
CH3NH2+ methyl amine cation 1.022 2 6
    1.022 2 7
N2H7+ ammonia ammonium dimer 1.100 1 2
    1.628 1 3
    1.020 2 4
    1.020 2 5
    1.020 2 6
    1.018 3 7
    1.018 3 8
    1.018 3 9
HNNO+ Nitrous oxide, N-protonated 1.029 1 4
NH2CN cyanamide 1.004 3 4
    1.004 3 5
HNCNH2+ diiminomethane, protonated 1.012 2 4
    1.014 3 5
    1.014 3 6
CH2CHNH vinylazine 1.023 3 7