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18 10 26 16 45

QCISD/aug-cc-pVDZ for rNS

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 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
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference FSN Thiazyl fluoride0.030
Most positive difference NH2SH Thiohydroxylamine0.046

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
FSN Thiazyl fluoride 1.448 0.030
NS Mononitrogen monosulfide 1.497 0.036
S2N2 Disulfur dinitride 1.642 0.044
NH2SH Thiohydroxylamine 1.719 0.046