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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.50800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01054
0.02230
2
0.00000
0.01054
-0.02230
3
0.00000
-0.02422
0.03531
4
0.00000
0.02820
-0.02674
5
0.00000
0.02820
0.02674
6
0.00000
-0.02422
-0.03531
7
0.00000
0.03321
-0.07520
8
0.00000
-0.06646
0.06905
9
0.00000
-0.06646
-0.06905
10
0.00000
0.03321
0.07520
11
0.00000
0.00125
0.03659
12
0.00000
0.01178
-0.02500
13
0.00000
0.01178
0.02500
14
0.00000
0.00125
-0.03659
15
0.00000
-0.02578
-0.04390
16
0.00000
-0.02578
0.04390
17
0.00000
0.01575
0.02994
18
0.00000
0.00111
-0.04399
19
0.00000
0.00111
0.04399
20
0.00000
0.01575
-0.02994
21
0.00000
-0.02837
-0.00068
22
0.00000
0.03881
0.00280
23
0.00000
0.03881
-0.00280
24
0.00000
-0.02837
0.00068
25
0.00000
-0.00795
0.03848
26
0.00000
-0.00795
-0.03848
27
0.00000
0.02383
-0.00188
28
0.00000
0.02383
0.00188
29
0.00000
0.01441
-0.08372
30
0.00000
0.00211
0.04555
31
0.00000
0.00211
-0.04555
32
0.00000
0.01441
0.08372
33
0.00000
-0.02147
-0.00011
34
0.00000
0.09461
0.03563
35
0.00000
0.09461
-0.03563
36
0.00000
-0.02147
0.00011
37
0.00000
-0.13795
-0.09800
38
0.00000
-0.08260
-0.07736
39
0.00000
-0.08260
0.07736
40
0.00000
-0.13795
0.09800
41
0.00000
-0.00839
-0.22881
42
0.00000
-0.00839
0.22881