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)
-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)
1.97200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06420
0.01455
2
0.00000
-0.06420
-0.01455
3
0.00000
-0.08050
0.01059
4
0.00000
-0.07813
-0.01330
5
0.00000
-0.07813
0.01330
6
0.00000
-0.08050
-0.01059
7
0.00000
0.00593
0.01429
8
0.00000
0.00957
0.00531
9
0.00000
0.00957
-0.00531
10
0.00000
0.00593
-0.01429
11
0.00000
-0.01816
0.00052
12
0.00000
-0.01204
0.01441
13
0.00000
-0.01204
-0.01441
14
0.00000
-0.01816
-0.00052
15
0.00000
0.00285
-0.00147
16
0.00000
0.00285
0.00147
17
0.00000
0.06393
-0.03454
18
0.00000
0.05220
-0.02535
19
0.00000
0.05220
0.02535
20
0.00000
0.06393
0.03454
21
0.00000
0.05616
-0.04740
22
0.00000
0.05058
-0.04939
23
0.00000
0.05058
0.04939
24
0.00000
0.05616
0.04740
25
0.00000
-0.02376
-0.01382
26
0.00000
-0.02376
0.01382
27
0.00000
0.02688
-0.03323
28
0.00000
0.02688
0.03323
29
0.00000
0.06288
-0.01158
30
0.00000
0.05077
-0.00225
31
0.00000
0.05077
0.00225
32
0.00000
0.06288
0.01158
33
0.00000
0.01206
-0.07675
34
0.00000
0.00936
-0.07333
35
0.00000
0.00936
0.07333
36
0.00000
0.01206
0.07675
37
0.00000
0.01445
-0.03906
38
0.00000
-0.02059
0.01431
39
0.00000
-0.02059
-0.01431
40
0.00000
0.01445
0.03906
41
0.00000
-0.02556
0.00031
42
0.00000
-0.02556
-0.00031