Charge: 2
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+2
Electronic States
Energy
(eV)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.30500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01708
-0.00799
2
0.00000
0.01708
0.00799
3
0.00000
-0.03904
0.00079
4
0.00000
-0.04516
0.01293
5
0.00000
-0.04516
-0.01293
6
0.00000
-0.03904
-0.00079
7
0.00000
0.01402
0.00429
8
0.00000
0.01024
-0.00789
9
0.00000
0.01024
0.00789
10
0.00000
0.01402
-0.00429
11
0.00000
0.00032
0.02206
12
0.00000
-0.00239
0.01213
13
0.00000
-0.00239
-0.01213
14
0.00000
0.00032
-0.02206
15
0.00000
0.06119
0.00884
16
0.00000
0.06119
-0.00884
17
0.00000
-0.04462
-0.00257
18
0.00000
-0.04508
-0.00608
19
0.00000
-0.04508
0.00608
20
0.00000
-0.04462
0.00257
21
0.00000
0.01973
0.00366
22
0.00000
0.02121
0.01047
23
0.00000
0.02121
-0.01047
24
0.00000
0.01973
-0.00366
25
0.00000
0.01543
0.01879
26
0.00000
0.01543
-0.01878
27
0.00000
-0.01038
-0.01703
28
0.00000
-0.01038
0.01703
29
0.00000
-0.04612
-0.17637
30
0.00000
-0.04685
-0.22092
31
0.00000
-0.04685
0.22092
32
0.00000
-0.04612
0.17637
33
0.00000
0.22000
0.12691
34
0.00000
0.30805
0.17415
35
0.00000
0.30805
-0.17415
36
0.00000
0.22000
-0.12691
37
0.00000
-0.12904
-0.08738
38
0.00000
0.00203
0.01536
39
0.00000
0.00204
-0.01536
40
0.00000
-0.12904
0.08738
41
0.00000
0.01874
0.13892
42
0.00000
0.01874
-0.13892