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Calculated Frequencies for Al2H6 (dialane) 1AG D2h

B1B95/6-31G(2df,p) 1AG D2H

19 05 15 13 41
InChI=1S/2Al.6H INChIKey=VRAIHTAYLFXSJJ-UHFFFAOYSA-N
Mode
Number
Symmetry Frequency
(cm-1)
Scaled Frequency
(cm-1)
IR Intensity
(km/mol)
reduced mass
(u)
description Raman Act
4/u)
Dep P Dep U
1 Ag 1959 1876 0.000 1.0213      
2 Ag 1522 1458 0.000 1.0127      
3 Ag 736 705 0.000 1.0836      
4 Ag 375 359 0.000 8.0462      
5 Au 413 396 0.000 1.0078      
6 B1g 1970 1887 0.000 1.0641      
7 B1g 453 434 0.000 1.1821      
8 B1u 1293 1238 290.556 1.057      
9 B1u 622 596 240.198 1.0614      
10 B2g 1403 1344 0.000 1.0141      
11 B2g 476 456 0.000 1.1948      
12 B2u 1977 1893 349.277 1.0656      
13 B2u 817 782 174.699 1.0522      
14 B2u 182 174 11.553 1.0085      
15 B3g 740 709 0.000 1.0078      
16 B3u 1953 1870 121.538 1.0179      
17 B3u 1471 1409 1025.556 1.0409      
18 B3u 692 663 573.572 1.0669      
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe) 9527 cm-1
Scaled (by 0.9577) Zero Point Vibrational Energy (zpe) 9124 cm-1

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.

List of Irreducible Representations for D2h

Rep deg. n vib IR R
Ag 1 4 active
Au 1 1
B1g 1 2 active
B1u 1 2 active
B2g 1 2 active
B2u 1 3 active
B3g 1 1 active
B3u 1 3 active