return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
F2O Difluorine monoxide 103.1 103.1 -0.0

HF/aug-cc-pVDZ for aFOF

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


Differences greater than 1.99999999999999E-03 are in the 1.99999999999999E-03 bin. Differences less than -0.022 are in the -0.022 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.022 -0.02 -0.018 -0.016 -0.014 -0.012 -0.01 -8.00000000000001E-03 -6.00000000000001E-03 -0.004 -2.00000000000001E-03 -6.93889390390723E-18 1.99999999999999E-03
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference F2O Difluorine monoxide -0.0
Most positive difference F2O Difluorine monoxide -0.0