| Atomic Number |
Atomic Symbol |
Isotope | Isotope Mass |
Isotope Abundance |
Number Atoms |
Mass |
|---|---|---|---|---|---|---|
| 6 | C | 12 | 12.0000 | 98.9000 | 8 | 96.0000 |
| 8 | O | 16 | 15.9949 | 99.7620 | 8 | 127.9593 |
| Total | 16 | 223.9593 | ||||
| Isotopomer Natural Abundance (%) | 89.8031 | |||||
| E | C2.(z) | C2.(y) | C2.(x) | i | σ.(xy) | σ.(xy) | σ.(xy) |
|---|---|---|---|---|---|---|---|
| 16 | 0 | 4 | 4 | 0 | 16 | 4 | 4 |
| A1g | B1g | B2g | B3g | A1u | B1u | B2u | B3u |
|---|---|---|---|---|---|---|---|
| 6 | 2 | 0 | 0 | 0 | 0 | 4 | 4 |
| Atom Set* | Site Symmetry** | h(Site Symmetry) | Identical Atoms*** | Element | Chrial | Polar | Isotopomer | ||
|---|---|---|---|---|---|---|---|---|---|
| Isotope | Mass | Abundance**** | |||||||
| 1 | C2v | 4 | 2 | C | no | yes | 13C | 224.9627 | 1.9976 |
| 2 | C2v | 4 | 2 | C | no | yes | 13C | 224.9627 | 1.9976 |
| 3 | C2v | 4 | 2 | O | no | yes | 18O 17O | 225.9636 224.9635 | 0.3601 0.068413 |
| 4 | C2v | 4 | 2 | O | no | yes | 18O 17O | 225.9636 224.9635 | 0.3601 0.068413 |
| 5 | Cs | 2 | 4 | C | no | yes | 13C | 224.9627 | 3.9953 |
| 6 | Cs | 2 | 4 | O | no | yes | 18O 17O | 225.9636 224.9635 | 0.7201 0.1368 |
| Total Number of Atoms: | 16 | ✅ Correct Number of Atoms found | |||||||
| Replacement | Pattern | Achiral Isomers | Chiral Isomer Pairs |
|---|---|---|---|
| Single | X | 6 | 0 |
| Double | X2 | 38 | 0 |
| Double | XY | 66 | 0 |
| Triple | X3 | 154 | 0 |
| Triple | X2Y | 438 | 0 |
| Triple | XYZ | 852 | 0 |
| Quadruple | X4 | 488 | 0 |
| Quadruple | X3Y | 1.858 | 0 |
| Quadruple | X2Y2 | 2.798 | 0 |
| Quadruple | X2YZ | 5.502 | 0 |
| Quadruple | WXYZ | 10.932 | 0 |
| Quintuple | X5 | 1.134 | 0 |
| Quintuple | VWXYZ | 131.040 | 0 |
| Sextuple | X6 | 2.074 | 0 |
| Sextuple | UVWXYZ | 1.441.440 | 0 |
| E | C2.(z) | C2.(y) | C2.(x) | i | σ.(xy) | σ.(xy) | σ.(xy) |
|---|---|---|---|---|---|---|---|
| 48 | 0 | -4 | -4 | 0 | 16 | 4 | 4 |
| A1g | B1g | B2g | B3g | A1u | B1u | B2u | B3u |
|---|---|---|---|---|---|---|---|
| 8 | 8 | 4 | 4 | 2 | 6 | 8 | 8 |
| Molecular motions and force field analysis |
|---|