Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)=FULL/aug-cc-pV(T+d)Z
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.591 | 0.025 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5Cl | sulfur chloropentafluoride | 1.565 |
Highest value | FSSF | Difluorodisulfane | 1.636 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.603 | 1 | 2 |
SF2 | sulfur difluoride | 1.594 | 1 | 2 |
1.594 | 1 | 3 | ||
FSSF | Difluorodisulfane | 1.636 | 1 | 3 |
1.636 | 2 | 4 | ||
SF5Cl | sulfur chloropentafluoride | 1.571 | 1 | 3 |
1.571 | 1 | 4 | ||
1.571 | 1 | 5 | ||
1.571 | 1 | 6 | ||
1.565 | 1 | 7 |