IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31B2PLYP=FULL/cc-pV(T+d)Z for rNS
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.018 are in the 0.018 bin. Differences less than -0.006 are in the -0.006 bin.
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2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.006 | -0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | FSN | Thiazyl fluoride | -0.005 |
Most positive difference | S2N2 | Disulfur dinitride | 0.010 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
FSN | Thiazyl fluoride | 1.448 | -0.005 |
S2N2 | Disulfur dinitride | 1.642 | 0.010 |