Mode |
cm-1 |
Ni62 |
N15 |
mesoD |
cm-1 |
Ni62 |
N15 |
mesoD |
E g |
||||||||
8 |
343.65 |
(0.0 |
4.4 |
6.9) |
254.0 |
(0.0 |
3.00 |
1.0) |
12 |
642.09 |
(0.0 |
0.1 |
7.9) |
494.0 |
(0.0 |
2.00 |
11.0) |
A1u |
||||||||
3 |
647.84 |
(0.0 |
0.0 |
0.0) |
750.0 |
(0.0 |
0.0 |
0.0) |
A2u |
||||||||
3 |
289.75 |
(0.1 |
0.1 |
10.9) |
284.0 |
(0.3 |
0.0 |
7.0) |
4 |
352.05 |
(0.7 |
4.6 |
18.6) |
360.0 |
(0.9 |
5.0 |
23.0) |
5 |
738.60 |
(0.3 |
9.7 |
106.8) |
739.0 |
(0.0 |
6.0 |
-21.0) |
6 |
844.71 |
(.03 |
0.2 |
67.9) |
844.0 |
(0.0 |
0.0 |
163.0) |
B1u |
||||||||
3 |
611.39 |
(0.0 |
0.0 |
91.1) |
612.0 |
(0.0 |
0.0 |
-40.0) |
4 |
640.24 |
(0.0 |
0.0 |
0.3) |
732.0 |
(0.0 |
0.0 |
-58.0) |
5 |
847.08 |
(0.0 |
0.0 |
107.2) |
853.0 |
(0.0 |
0.0 |
352.0) |
B2u |
||||||||
3 |
357.58 |
(0.0 |
4.3 |
0.0) |
270.0 |
(0.0 |
2.0 |
0.0) |
4 |
690.32 |
(0.0 |
10.7 |
0.0) |
704.0 |
(0.0 |
4.0 |
0.0) |
* XY Li, J. Am. Chem. Soc. 1989, 111, 7012-7023