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18 10 26 16 45

CCSD(T)/3-21G for rNH

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


Differences greater than 0.100 are in the 0.100 bin. Differences less than -1.100 are in the -1.100 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-1.100 -1.000 -0.900 -0.800 -0.700 -0.600 -0.500 -0.400 -0.300 -0.200 -0.100 0.000 0.100
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference H2ONH3 Water Ammonia Dimer-1.065
Most positive difference NH3 Ammonia0.014

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2ONH3 Water Ammonia Dimer 2.983 -1.065
NH3 Ammonia 1.012 0.014