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18 10 26 16 45

MP4/6-31G for rCH

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference H2CO Formaldehyde-0.004
Most positive difference C3H5 Allyl radical0.028

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2CO Formaldehyde 1.111 -0.004
C2H4 Ethylene 1.086 0.007
C3H6 Cyclopropane 1.083 0.008
C2H2 Acetylene 1.063 0.010
C2H6 Ethane 1.091 0.012
CH4 Methane 1.087 0.013
CH3NH2 methyl amine 1.093 0.017
C3H5 Allyl radical 1.069 0.028