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18 10 26 16 45

BLYP/6-31G for rHN

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


Differences greater than 0.080 are in the 0.080 bin. Differences less than -0.040 are in the -0.040 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3CSNH2 Ethanethioamide-0.031
Most positive difference NHCl2 dichloroamine0.042

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3CSNH2 Ethanethioamide 1.050 -0.031
NH4+ ammonium cation 1.029 0.008
LiNH2 lithium amide 1.022 0.010
CHSNH2 thioformamide 1.006 0.014
HNCS Isothiocyanic acid 0.993 0.016
CHSNH2 thioformamide 1.001 0.018
NH2SH Thiohydroxylamine 1.008 0.020
NHF2 difluoramine 1.026 0.029
NHCl2 dichloroamine 1.014 0.042