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18 10 26 16 45

CID/6-31G 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
histogram chart 0 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-0.044
Most positive difference NHCl2 dichloroamine0.015

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3CSNH2 Ethanethioamide 1.050 -0.044
NH4+ ammonium cation 1.029 -0.001
LiNH2 lithium amide 1.022 0.000
HNCS Isothiocyanic acid 0.993 0.001
CHSNH2 thioformamide 1.006 0.002
NHF2 difluoramine 1.026 0.003
NH2SH Thiohydroxylamine 1.008 0.004
CHSNH2 thioformamide 1.001 0.006
NHCl2 dichloroamine 1.014 0.015