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18 10 26 16 45

CID/6-31G** for rCH

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
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 CH3CH2NH2 Ethylamine-0.020
Most positive difference C3H5 Allyl radical0.012

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3CH2NH2 Ethylamine 1.107 -0.020
C5H8 Bicyclo[2.1.0]pentane 1.095 -0.016
H2CO Formaldehyde 1.111 -0.015
CH3SSCH3 Disulfide, dimethyl 1.097 -0.013
C4H6S Thiophene, 2,5-dihydro- 1.095 -0.010
C5H8 Bicyclo[2.1.0]pentane 1.085 -0.010
C5H8 Bicyclo[2.1.0]pentane 1.095 -0.009
C4H6S Thiophene, 2,5-dihydro- 1.085 -0.008
C2H4 Ethylene 1.086 -0.008
C4H4N2 Pyrazine 1.083 -0.007
C3H6 Cyclopropane 1.083 -0.006
C2H6 Ethane 1.091 -0.004
C2H2 Acetylene 1.063 -0.003
CH4 Methane 1.087 -0.002
C3H5 Allyl radical 1.069 0.012