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)
0.00000
Diff mu Z
(Debye)
-1.64700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00880
-0.03254
2
0.00000
0.00880
-0.03254
3
0.00000
-0.02160
0.01602
4
0.00000
-0.00285
-0.02473
5
0.00000
0.00285
-0.02473
6
0.00000
0.02160
0.01602
7
0.00000
-0.04203
0.02487
8
0.00000
-0.01251
0.03225
9
0.00000
0.01251
0.03225
10
0.00000
0.04203
0.02487
11
0.00000
-0.02860
-0.02435
12
0.00000
0.01349
-0.01122
13
0.00000
-0.01349
-0.01122
14
0.00000
0.02860
-0.02435
15
0.00000
-0.01238
-0.00228
16
0.00000
0.01238
-0.00228
17
0.00000
0.02018
0.03206
18
0.00000
-0.01196
0.02651
19
0.00000
0.01196
0.02651
20
0.00000
-0.02018
0.03206
21
0.00000
0.01049
-0.05281
22
0.00000
0.00552
-0.03293
23
0.00000
-0.00552
-0.03293
24
0.00000
-0.01049
-0.05281
25
0.00000
0.00163
-0.00094
26
0.00000
-0.00163
-0.00094
27
0.00000
0.01979
0.00532
28
0.00000
-0.01979
0.00532
29
0.00000
0.02183
0.37589
30
0.00000
-0.01127
0.24461
31
0.00000
0.01127
0.24461
32
0.00000
-0.02183
0.37589
33
0.00000
-0.12618
-0.13789
34
0.00000
-0.09994
-0.09395
35
0.00000
0.09994
-0.09395
36
0.00000
0.12618
-0.13789
37
0.00000
0.10332
0.05461
38
0.00000
0.20588
0.09982
39
0.00000
-0.20588
0.09982
40
0.00000
-0.10332
0.05461
41
0.00000
-0.00107
-0.01015
42
0.00000
0.00107
-0.01015