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III.G.1.a.

Compare Calculated Bonds for N-O

CCSD/cc-pVDZ

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
1.269 0.116

  Species Name Bond Length (Å)
Lowest value NO3- nitrate anion 1.140
Highest value BrONO Bromine nitrite 1.475

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C3H7ONO Propyl nitrite 1.385 4 5
    1.411 4 5
    1.179 5 6
    1.184 5 6
H2NO3+ Nitric Acid, Protonated 1.171 1 2
    1.312 1 3
    1.312 1 4
NO- nitric oxide anion 1.158 1 2
NO Nitric oxide 1.158 1 2
NO+ nitric oxide cation 1.158 1 2
NO3- nitrate anion 1.140 1 2
NO3+ nitrogen trioxide cation 1.140 1 2
NO3 Nitrogen trioxide 1.140 1 2
    1.315 1 3
NO3+ nitrogen trioxide cation 1.315 1 3
NO3- nitrate anion 1.315 1 3
    1.315 1 4
NO3+ nitrogen trioxide cation 1.315 1 4
NO3 Nitrogen trioxide 1.315 1 4
BrNO Nitrosyl bromide 1.141 1 3
ClONO2 Chlorine nitrate 1.470 2 3
    1.191 3 4
    1.193 3 5
HOONO2 peroxy nitric acid 1.472 1 2
    1.194 1 4
    1.194 1 5
NH3O Ammonia Oxide 1.361 1 2
BrONO Bromine nitrite 1.475 2 3
    1.165 3 4
ONONO Nitrosyl nitrite 1.465 1 2
    1.465 1 3
    1.168 2 4
    1.168 3 5