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Compare Calculated Bonds for N-H

17 01 10 14 40

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

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


Values greater than 1.11 are in the 1.11 bin. Values less than 0.99 are in the 0.99 bin.

histogram chart 18 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
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histogram chart 4 line line line 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 line line line
histogram chart 2 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 line line line line line line line line line histogram chart 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 line line line histogram chart line line line line line histogram chart line line line line line line line
0.99 1.00 1.01 1.02 1.03 1.04 1.05 1.06 1.07 1.08 1.09 1.10 1.11
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.031 0.020

  Species Name Bond Length (Å)
Lowest value HNCS Isothiocyanic acid 0.997
Highest value NH3- Ammonia anion 1.094

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NH2 Amino radical 1.036 1 2
    1.036 1 3
NH2+ Amino cation 1.038 1 2
    1.038 1 3
NH3- Ammonia anion 1.094 1 2
    1.094 1 3
    1.094 1 4
NH3 Ammonia 1.021 1 2
    1.021 1 3
    1.021 1 4
NH3+ ammonia cation 1.030 1 2
    1.030 1 3
    1.030 1 4
NH4+ ammonium cation 1.031 1 2
    1.031 1 3
    1.031 1 4
    1.031 1 5
HNC+ hydrogen isocyanide cation 1.026 2 3
NNH+ Dinitrogen monohydride cation 1.042 2 3
HNO+ Nitrosyl hydride cation 1.072 1 2
N2H2 (Z)-Diazene 1.047 1 3
    1.047 2 4
N2H2 (E)-diazene 1.040 1 3
    1.040 2 4
N2H2+ trans-diazene cation 1.045 1 3
    1.045 2 4
CH2NH+ Methanimine cation 1.028 2 5
NH2OH hydroxylamine 1.025 1 4
    1.025 1 5
NH2OH+ Hydroxylamine cation 1.027 1 4
    1.025 1 5
CH2NH2+ methyleneamine cation 1.025 2 5
    1.025 2 6
CH3NH2 methyl amine 1.022 2 6
    1.022 2 7
CH3NH2+ methyl amine cation 1.028 2 6
    1.028 2 7
HNNO+ Nitrous oxide, N-protonated 1.035 1 4
HNCS Isothiocyanic acid 0.997 1 4
NH2CN cyanamide 1.009 3 4
    1.009 3 5
HNCNH2+ diiminomethane, protonated 1.017 2 4
    1.021 3 5
    1.021 3 6
CH2CHNH vinylazine 1.030 3 7
NH2CONH2 Urea 1.009 3 5
    1.009 3 6
    1.009 4 7
    1.009 4 8
NH2COOH2+ Carbamic acid, O-protonated 1.016 3 5
    1.020 3 6