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18 10 26 16 45

PBEPBEultrafine/cc-pVDZ for rNO

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 12
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH2NOH formaldoxime-0.008
Most positive difference C2H5NO3 Nitric acid, ethyl ester0.055

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH2NOH formaldoxime 1.408 -0.008
C2H5NO3 Nitric acid, ethyl ester 1.215 -0.006
HNO Nitrosyl hydride 1.209 0.003
C2H5NO3 Nitric acid, ethyl ester 1.215 0.003
NH2OH hydroxylamine 1.453 0.004
CH3NO nitrosomethane 1.211 0.005
C2H2N2O Furazan 1.373 0.006
HNO3 Nitric acid 1.199 0.007
CH3NO2 Methane, nitro- 1.224 0.008
N2O Nitrous oxide 1.184 0.009
HNO3 Nitric acid 1.211 0.010
ClNO Nitrosyl chloride 1.139 0.010
C2H3NO Nitrosoethylene 1.220 0.011
FNO2 Nitryl fluoride 1.180 0.011
NO Nitric oxide 1.154 0.012
N2O4 Dinitrogen tetroxide 1.190 0.013
NO+ nitric oxide cation 1.066 0.014
FNO Nitrosyl fluoride 1.136 0.016
NO2 Nitrogen dioxide 1.193 0.018
NO- nitric oxide anion 1.258 0.030
HNO3 Nitric acid 1.406 0.036
C2H5NO3 Nitric acid, ethyl ester 1.407 0.055