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III.G.1.a.

Compare Calculated Bonds for N-O

M06-2X/3-21G*

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


Values greater than 1.60 are in the 1.60 bin. Values less than 1.15 are in the 1.15 bin.

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1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.327 0.133

  Species Name Bond Length (Å)
Lowest value NO3- nitrate anion 1.154
Highest value ClONO2 Chlorine nitrate 1.533

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
C3H7ONO Propyl nitrite 1.436 4 5
    1.216 5 6
H2NO3+ Nitric Acid, Protonated 1.209 1 2
    1.375 1 3
    1.375 1 4
NO- nitric oxide anion 1.186 1 2
NO Nitric oxide 1.186 1 2
NO+ nitric oxide cation 1.186 1 2
NO3- nitrate anion 1.154 1 2
    1.434 1 3
    1.434 1 4
NO3 Nitrogen trioxide 1.154 1 2
    1.434 1 3
    1.434 1 4
NO3+ nitrogen trioxide cation 1.154 1 2
    1.434 1 3
    1.434 1 4
ClONO2 Chlorine nitrate 1.533 2 3
    1.235 3 4
    1.236 3 5
HOONO2 peroxy nitric acid 1.498 1 2
    1.231 1 4
    1.264 1 5
NH3O Ammonia Oxide 1.467 1 2
ONONO Nitrosyl nitrite 1.529 1 2
    1.529 1 3
    1.200 2 4
    1.200 3 5