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18 10 26 16 45

wB97X-D/6-31G(2df,p) for rHN

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


Differences greater than 0.015 are in the 0.015 bin. Differences less than -0.045 are in the -0.045 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
-0.045 -0.040 -0.035 -0.030 -0.025 -0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3CSNH2 Ethanethioamide-0.045
Most positive difference HNCS Isothiocyanic acid0.010

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3CSNH2 Ethanethioamide 1.050 -0.045
LiNH2 lithium amide 1.022 -0.009
NH4+ ammonium cation 1.029 -0.005
NHF2 difluoramine 1.026 0.001
CHSNH2 thioformamide 1.006 0.001
NH2SH Thiohydroxylamine 1.008 0.003
CHSNH2 thioformamide 1.001 0.004
NHCl2 dichloroamine 1.014 0.006
HNCS Isothiocyanic acid 0.993 0.010