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18 10 26 16 45

B3LYP/CEP-31G* for rHN

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.025 are in the 0.025 bin. Differences less than -0.035 are in the -0.035 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.035 -0.030 -0.025 -0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3CSNH2 Ethanethioamide-0.032
Most positive difference HNCS Isothiocyanic acid0.027

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3CSNH2 Ethanethioamide 1.050 -0.032
NH4+ ammonium cation 1.029 0.006
LiNH2 lithium amide 1.022 0.007
NHF2 difluoramine 1.026 0.012
CHSNH2 thioformamide 1.006 0.014
NH2SH Thiohydroxylamine 1.008 0.015
CHSNH2 thioformamide 1.001 0.017
NHCl2 dichloroamine 1.014 0.018
HNCS Isothiocyanic acid 0.993 0.027