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18 10 26 16 45

CCSD=FULL/6-31G* for rNCl

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


Differences greater than 0.090 are in the 0.090 bin. Differences less than -0.030 are in the -0.030 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference ClNO Nitrosyl chloride-0.028
Most positive difference NCl nitrogen monochloride0.045

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ClNO Nitrosyl chloride 1.975 -0.028
NHCl2 dichloroamine 1.760 0.004
NCl3 nitrogen trichloride 1.754 0.019
ClNO2 Nitryl chloride 1.840 0.035
NCl nitrogen monochloride 1.611 0.045