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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3CSNH2 Ethanethioamide 113.8 110.5 3.3
CH3CCl3 Ethane, 1,1,1-trichloro- 109.5 109.4 0.1
C2H3Cl Ethene, chloro- 123.8 123.8 -0.0
C2H3Cl Ethene, chloro- 119.5 119.5 0.0
C2H3Cl Ethene, chloro- 121.0 122.3 -1.3
CH3CH2SH ethanethiol 110.2 110.4 -0.2
CH3CH2SH ethanethiol 109.7 111.1 -1.4
CH3CH2SH ethanethiol 110.6 110.0 0.6
CH2CCl2 Ethene, 1,1-dichloro- 120.0 120.4 -0.4
CH2ClCHCl2 1,1,2-trichloroethane 101.0 111.6 -10.6
CHClCCl2 Trichloroethylene 120.6 120.6 0.0
C4H4S Thiophene 124.3 123.7 0.6
C4H4S Thiophene 128.6 127.7 0.9
C4H4S Thiophene 123.3 123.8 -0.5
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 123.2 120.2 3.0
C2H4S Thiirane 117.9 118.2 -0.3
CH3CHS Thioacetaldehyde 119.4 114.6 4.8
CH3CHS Thioacetaldehyde 111.2 111.6 -0.4
CH3CHS Thioacetaldehyde 110.1 109.4 0.7

HF/cc-pV(T+d)Z for aHCC

Histogram of angle differences (in degrees) vs number of species


Differences greater than 12 are in the 12 bin. Differences less than -12 are in the -12 bin.

histogram chart 14
histogram chart 12 histogram chart
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 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-12 -10 -8 -6 -4 -2 0 2 4 6 8 10 12
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2ClCHCl2 1,1,2-trichloroethane -10.6
Most positive difference CH3CHS Thioacetaldehyde 4.8