Table 3. Harmonic Frequencies (ω) of the Ground State Structures of the LinY, n = 1–8 Clustersa.
| clusters | ω | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| LiY | 242.0 | ||||||||
| Li2Y | 183.3 | 204.4 | 308.3 | ||||||
| Li3Y | 164.2 | 170.8 | 192.9 | 257.55 | 259.2 | 328.1 | |||
| Li4Y | 141.0 | 162.1 | 200.4 | 211.0 | 220.8 | 231.6 | 250.9 | 300.9 | 362.2 |
| Li5Y | 75.1 | 109.9 | 112.7 | 180.7 | 210.1 | 236.9 | 248.6 | 251.1 | 251.7 |
| 299.1 | 322.7 | 323.8 | |||||||
| Li6Y | 144.0 | 149.1 | 152.89 | 159.91 | 160.82 | 222.0 | 227.8 | 232.9 | 237.3 |
| 239.4 | 246.7 | 263.6 | 286.5 | 305.4 | 309.4 | ||||
| Li7Y | 82.6 | 122.2 | 138.5 | 141.6 | 152.6 | 166.0 | 190.4 | 195.1 | 206.3 |
| 212.5 | 216.2 | 234.0 | 257.4 | 261.9 | 267.1 | 280.2 | 282.6 | 294.5 | |
| Li8Y | 50.1 | 121.9 | 134.1 | 141.0 | 150.1 | 163.4 | 175.0 | 195.4 | 201.2 |
| 210.1 | 215.9 | 228.3 | 230.8 | 254.9 | 255.6 | 260.6 | 275.8 | 282.6 | |
| 287.1 | 292.9 | 308.3 | |||||||
a
All data were calculated with a BP86/ZORA/def2-TZVP method.