Wave number (cm−1)

Symmetry Species

Activity

calcd

obsd

118

T2u

no

287

277

T1u(1)

IR

317

Eu

no

354

365

T2g(1)

Raman

357

T1g

no

383

360

T1u(2)

IR

434

432

Eg

Raman

454

T2u

no

455

480

T2g(2)

Raman

517

513

T1u(3)

IR

570

A2u

no

570

Eu

no

597

590

T2g(3)

Raman

598

625

A1g

Raman

633

615

T1u(4)

IR

649

A2u

no