Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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mPW1PW91/cc-pV(T+d)Z
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.573 | 0.066 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FSN | Thiazyl fluoride | 1.435 |
Highest value | S2N2 | Disulfur dinitride | 1.633 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NNS | Nitrogen sulfide | 1.573 | 2 | 3 |
SNO | Nitrogen oxide sulfide | 1.574 | 1 | 2 |
NSO | sulfinyl amidogen | 1.502 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.539 | 1 | 2 |
FSN | Thiazyl fluoride | 1.435 | 1 | 2 |
S2N2 | Disulfur dinitride | 1.633 | 1 | 3 |
1.633 | 1 | 4 | ||
1.633 | 2 | 3 | ||
1.633 | 2 | 4 |