Table 5. Calculated Frequencies (in cm–1) at the Different Pressure Values (GPa) with Parameter N = 3.
symmetry | 0.0 | 0.7 | 1.9 | 2.8 | 3.9 | 5.4 | 7.4 | 10.2 |
---|---|---|---|---|---|---|---|---|
T2u | 346.9 | 348.4 | 350.9 | 352.9 | 355.7 | 359.2 | 364.2 | 371.2 |
T2g | 517.5 | 518.6 | 520.8 | 522.3 | 524.6 | 527.3 | 531.5 | 537.7 |
T1u | 611.3 | 611.7 | 612.8 | 613.6 | 615.0 | 616.5 | 619.1 | 622.8 |
Eg | 662.4 | 663.3 | 665.5 | 666.5 | 668.8 | 671.4 | 675.7 | 682.1 |
A1g | 771.2 | 772.6 | 775.5 | 777.1 | 780.0 | 783.0 | 788.0 | 795.7 |
T1u | 978.5 | 977.3 | 977.2 | 976.7 | 977.5 | 978.0 | 980.2 | 985.1 |