Charge: 1
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+1
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)
0.19400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07136
0.00000
0.00000
2
-0.07136
0.00000
0.00000
3
-0.05339
0.00000
0.00000
4
-0.06212
0.00000
0.00000
5
-0.06212
0.00000
0.00000
6
-0.05339
0.00000
0.00000
7
0.01493
0.00000
0.00000
8
0.00005
0.00000
0.00000
9
0.00005
0.00000
0.00000
10
0.01493
0.00000
0.00000
11
0.01845
0.00000
0.00000
12
0.10237
0.00000
0.00000
13
0.10237
0.00000
0.00000
14
0.01845
0.00000
0.00000
15
-0.03974
0.00000
0.00000
16
-0.03974
0.00000
0.00000
17
0.04472
0.00000
0.00000
18
-0.04305
0.00000
0.00000
19
-0.04305
0.00000
0.00000
20
0.04472
0.00000
0.00000
21
0.08220
0.00000
0.00000
22
-0.01629
0.00000
0.00000
23
-0.01629
0.00000
0.00000
24
0.08220
0.00000
0.00000
25
0.00299
0.00000
0.00000
26
0.00299
0.00000
0.00000
27
-0.01099
0.00000
0.00000
28
-0.01099
0.00000
0.00000
29
0.09651
0.00000
0.00000
30
-0.04154
0.00000
0.00000
31
-0.04154
0.00000
0.00000
32
0.09651
0.00000
0.00000
33
0.17130
0.00000
0.00000
34
0.00676
0.00000
0.00000
35
0.00676
0.00000
0.00000
36
0.17130
0.00000
0.00000
37
-0.02911
0.00000
0.00000
38
0.18117
0.00000
0.00000
39
0.18117
0.00000
0.00000
40
-0.02911
0.00000
0.00000
41
-0.01330
0.00000
0.00000
42
-0.01330
0.00000
0.00000