|
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 Br-N
17 01 10 14 40
CCSD=FULL/6-311+G(3df,2p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 1.90 are in the 1.90 bin.
Values less than 1.90 are in the 1.90 bin.
 |
5 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
4 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
3 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
2 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
1 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
0 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
| |
1.90 |
1.90 |
1.90 |
1.90 |
1.90 |
1.90 |
1.90 |
1.90 |
1.90 |
1.90 |
|
bond lengths (Å) |
Summary: (Å)
| Average bond length |
Standard deviation |
| 1.901 |
0.000 |
| |
Species |
Name |
Bond Length (Å) |
| Lowest value |
NBr3 |
Nitrogen Tribromide |
1.901 |
| Highest value |
NBr3 |
Nitrogen Tribromide |
1.901 |
Calculated Bond lengths
Click on entry for all calculated results.
| Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
| NBr3 |
Nitrogen Tribromide |
1.901 |
1 |
2 |
| |
|
1.901 |
1 |
3 |
| |
|
1.901 |
1 |
4 |