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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH2CHF Ethene, fluoro- 120.8 121.7 -0.9
CH3CHF2 Ethane, 1,1-difluoro- 110.7 110.1 0.6
CH2CF2 Ethene, 1,1-difluoro- 124.7 125.2 -0.5
C2F6 hexafluoroethane 109.5 109.8 -0.3
CF2CCl2 difluorodichloroethylene 124.0 124.1 -0.1
C3F6 hexafluoropropene 123.9 122.3 1.6
C3F6 hexafluoropropene 120.0 127.5 -7.5
C3F6 hexafluoropropene 110.3 111.9 -1.6
C2H5F fluoroethane 109.7 109.6 0.1
C2HF3 Trifluoroethylene 123.1 122.8 0.3
C2HF3 Trifluoroethylene 124.0 125.2 -1.2
C2HF3 Trifluoroethylene 120.0 120.1 -0.1
CHF2CHF2 1,1,2,2-tetrafluoroethane 108.5 108.4 0.1
CHF2CHF2 1,1,2,2-tetrafluoroethane 110.1 108.0 2.1
C6F6 hexafluorobenzene 120.0 120.0 0.0
CH3CHFCH3 2-Fluoropropane 108.1 107.8 0.3
F2CCCF2 tetrafluoroallene 125.8 125.4 0.3
CH3COF Acetyl fluoride 110.3 109.9 0.4
C2H4F2 1,2-difluoroethane 110.6 110.2 0.4
C4F6 perfluorobutadiene 121.0 118.2 2.8
CH2CHCH2F Allyl Fluoride 111.7 122.8 -11.1
CH2CHCH2F Allyl Fluoride 110.9 109.7 1.2
C2H2F2 Ethene, 1,2-difluoro-, (Z)- 122.1 122.3 -0.2
C2H2F2 Ethene, 1,2-difluoro-, (E)- 119.3 119.5 -0.2
C2H2ClF 1-chloro-1-fluoroethylene 121.8 122.4 -0.6
HCCF Fluoroacetylene 180.0 180.0 0.0

MP2/aug-cc-pVDZ for aCCF

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 18
histogram chart 16 histogram chart
histogram chart 14 histogram chart
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
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 CH2CHCH2F Allyl Fluoride -11.1
Most positive difference C4F6 perfluorobutadiene 2.8