|
Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
|
|
You are here: Calculated > Geometry > Calculated geometry > One type of bond
|
Compare Calculated Bonds for N-Cl
17 01 10 14 40
PBEPBEultrafine/6-311+G(3df,2p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 2.05 are in the 2.05 bin.
Values less than 1.60 are in the 1.60 bin.
|
5 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
4 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
3 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
2 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
0 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| |
1.60 |
1.65 |
1.70 |
1.75 |
1.80 |
1.85 |
1.90 |
1.95 |
2.00 |
2.05 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.786 |
0.097 |
|
Species |
Name |
Bond Length (Å) |
Lowest value |
NCl |
nitrogen monochloride |
1.615 |
Highest value |
ClNO |
Nitrosyl chloride |
1.997 |
Calculated Bond lengths
Click on entry for all calculated results.