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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.72400
Eigenvectors
#
X
Y
Z
1
0.00000
0.06395
0.00392
2
0.00000
-0.06395
0.00392
3
0.00000
-0.05561
-0.00818
4
0.00000
0.09104
0.00115
5
0.00000
-0.09104
0.00115
6
0.00000
0.05561
-0.00818
7
0.00000
0.03418
0.00603
8
0.00000
-0.07008
-0.00232
9
0.00000
0.07008
-0.00232
10
0.00000
-0.03418
0.00603
11
0.00000
-0.02708
-0.00136
12
0.00000
0.10308
0.01822
13
0.00000
-0.10308
0.01822
14
0.00000
0.02708
-0.00136
15
0.00000
-0.03542
-0.01533
16
0.00000
0.03542
-0.01533
17
0.00000
0.01373
0.02523
18
0.00000
-0.01289
0.00532
19
0.00000
0.01289
0.00532
20
0.00000
-0.01373
0.02523
21
0.00000
-0.02859
-0.02265
22
0.00000
0.03276
0.00538
23
0.00000
-0.03276
0.00538
24
0.00000
0.02859
-0.02265
25
0.00000
0.01351
0.00648
26
0.00000
-0.01351
0.00648
27
0.00000
-0.02761
-0.00946
28
0.00000
0.02761
-0.00946
29
0.00000
0.01557
-0.04228
30
0.00000
-0.01510
-0.00885
31
0.00000
0.01510
-0.00885
32
0.00000
-0.01557
-0.04228
33
0.00000
0.04188
0.02177
34
0.00000
-0.02989
-0.03220
35
0.00000
0.02989
-0.03220
36
0.00000
-0.04188
0.02177
37
0.00000
0.02532
0.02166
38
0.00000
-0.09100
-0.10503
39
0.00000
0.09100
-0.10503
40
0.00000
-0.02532
0.02166
41
0.00000
0.01466
-0.00294
42
0.00000
-0.01466
-0.00294