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18 10 26 16 45

QCISD/Def2TZVPP for rNO

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference NH2OH hydroxylamine-0.017
Most positive difference NO- nitric oxide anion0.012

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
NH2OH hydroxylamine 1.453 -0.017
HNO3 Nitric acid 1.406 -0.016
HNO3 Nitric acid 1.199 -0.010
CH3NO2 Methane, nitro- 1.224 -0.009
C2H2N2O Furazan 1.373 -0.008
HNO3 Nitric acid 1.211 -0.006
HNO Nitrosyl hydride 1.209 -0.005
N2O4 Dinitrogen tetroxide 1.190 -0.004
NO+ nitric oxide cation 1.066 -0.004
NO Nitric oxide 1.154 -0.002
ClNO Nitrosyl chloride 1.139 -0.001
FNO Nitrosyl fluoride 1.136 -0.001
N2O Nitrous oxide 1.184 0.003
HCNO fulminic acid 1.199 0.007
NO- nitric oxide anion 1.258 0.012