Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/cc-pCVTZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.17 | 1.17 | 1.18 | 1.18 | 1.19 | 1.19 | 1.20 | 1.20 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.187 | 0.010 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HCN | Hydrogen cyanide | 1.166 |
Highest value | AlNC | Aluminum isocyanide | 1.195 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CN- | cyanide anion | 1.190 | 1 | 2 |
HCN | Hydrogen cyanide | 1.166 | 1 | 3 |
LiCN | lithium cyanide | 1.193 | 2 | 3 |
NaCN | Sodium Cyanide | 1.190 | 1 | 2 |
AlNC | Aluminum isocyanide | 1.195 | 2 | 3 |