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III.G.1.a.

Compare Calculated Bonds for N-O

mPW1PW91/aug-cc-pVTZ

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


Values greater than 1.55 are in the 1.55 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.270 0.139

  Species Name Bond Length (Å)
Lowest value BrNO Nitrosyl bromide 1.125
Highest value BrONO Bromine nitrite 1.460

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NH3O Ammonia Oxide 1.347 1 2
BrNO Nitrosyl bromide 1.125 1 3
BrONO Bromine nitrite 1.460 2 3
    1.150 3 4