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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3NH2 methyl amine 105.8 106.8 -1.0
NH3 Ammonia 106.7 107.0 -0.3
LiNH2 lithium amide 106.9 104.1 2.8
NH2 Amino radical 103.4 103.4 0.0
NH2SH Thiohydroxylamine 110.2 109.7 0.5
NH2SH Thiohydroxylamine 111.6 109.7 1.9
BH2NH2 Boranamine 114.2 113.7 0.5

CID/daug-cc-pVTZ for aHNH

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


Differences greater than 4.5 are in the 4.5 bin. Differences less than -1.5 are in the -1.5 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-1.5 -1 -0.5 0 0.5 1 1.5 2 2.5 3 3.5 4 4.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH3NH2 methyl amine -1.0
Most positive difference LiNH2 lithium amide 2.8