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)
0.00000
Diff mu Z
(Debye)
-1.36600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01212
-0.02623
2
0.00000
0.01212
-0.02623
3
0.00000
-0.02300
0.02503
4
0.00000
0.00340
-0.00074
5
0.00000
-0.00340
-0.00074
6
0.00000
0.02300
0.02503
7
0.00000
0.04497
-0.01335
8
0.00000
0.00446
0.01339
9
0.00000
-0.00446
0.01339
10
0.00000
-0.04497
-0.01335
11
0.00000
-0.03447
-0.02315
12
0.00000
0.05216
0.00453
13
0.00000
-0.05216
0.00453
14
0.00000
0.03447
-0.02315
15
0.00000
0.01362
0.06167
16
0.00000
-0.01362
0.06167
17
0.00000
-0.00739
-0.10596
18
0.00000
0.02014
0.00182
19
0.00000
-0.02014
0.00182
20
0.00000
0.00739
-0.10596
21
0.00000
-0.00514
0.05130
22
0.00000
-0.03540
-0.02580
23
0.00000
0.03540
-0.02580
24
0.00000
0.00514
0.05130
25
0.00000
-0.00686
0.03961
26
0.00000
0.00686
0.03961
27
0.00000
0.04174
-0.00367
28
0.00000
-0.04174
-0.00367
29
0.00000
-0.00998
0.21410
30
0.00000
0.02788
0.01341
31
0.00000
-0.02788
0.01341
32
0.00000
0.00998
0.21410
33
0.00000
0.01421
0.06627
34
0.00000
0.08455
0.03985
35
0.00000
-0.08455
0.03985
36
0.00000
-0.01421
0.06627
37
0.00000
-0.05922
-0.06624
38
0.00000
-0.04267
-0.06019
39
0.00000
0.04267
-0.06019
40
0.00000
0.05922
-0.06624
41
0.00000
-0.00899
-0.18860
42
0.00000
0.00899
-0.18860