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18 10 26 16 45

B97D3/TZVP for rNF

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 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
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference NF2 Difluoroamino radical0.004
Most positive difference FNO2 Nitryl fluoride0.075

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
NF2 Difluoroamino radical 1.370 0.004
NH2F monofluoroamine 1.433 0.016
NF nitrogen fluoride 1.317 0.016
NHF2 difluoramine 1.400 0.023
N2F2 (Z)-Difluorodiazene 1.384 0.036
NF3 Nitrogen trifluoride 1.365 0.040
F3NO Nitrogen trifluoride oxide 1.431 0.044
FNO Nitrosyl fluoride 1.512 0.066
FNO2 Nitryl fluoride 1.467 0.075