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
NH2OH hydroxylamine 101.4 101.4 -0.0

QCISD(TQ)=FULL/6-31G* for aHON

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


Differences greater than 0.008 are in the 0.008 bin. Differences less than -0.016 are in the -0.016 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.016 -0.014 -0.012 -0.01 -0.008 -0.006 -0.004 -0.002 0 0.002 0.004 0.006 0.008
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference NH2OH hydroxylamine -0.0
Most positive difference NH2OH hydroxylamine -0.0