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18 10 26 16 45

CISD/aug-cc-pVTZ for rCH

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


Differences greater than 0.045 are in the 0.045 bin. Differences less than -0.015 are in the -0.015 bin.

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

  Species Name Difference (Å)
Most negative difference H2CO Formaldehyde-0.015
Most positive difference C3H5 Allyl radical0.010

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2CO Formaldehyde 1.111 -0.015
C3H6 Cyclopropane 1.083 -0.008
C2H4 Ethylene 1.086 -0.008
C2H6 Ethane 1.091 -0.005
C2H2 Acetylene 1.063 -0.005
CH4 Methane 1.087 -0.001
C3H5 Allyl radical 1.069 0.010