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)
0.00000
Diff mu Y
(Debye)
0.05800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02836
0.03233
2
0.00000
-0.02836
-0.03233
3
0.00000
-0.02340
-0.02760
4
0.00000
0.01102
-0.06375
5
0.00000
0.01102
0.06375
6
0.00000
-0.02340
0.02760
7
0.00000
0.02792
-0.04824
8
0.00000
0.01497
-0.02910
9
0.00000
0.01497
0.02910
10
0.00000
0.02792
0.04824
11
0.00000
0.06696
-0.02844
12
0.00000
-0.00696
0.04977
13
0.00000
-0.00696
-0.04977
14
0.00000
0.06696
0.02844
15
0.00000
0.01232
-0.00101
16
0.00000
0.01232
0.00101
17
0.00000
0.00406
-0.00611
18
0.00000
-0.00373
-0.00509
19
0.00000
-0.00373
0.00509
20
0.00000
0.00406
0.00611
21
0.00000
-0.02176
0.02191
22
0.00000
-0.01236
0.02019
23
0.00000
-0.01236
-0.02019
24
0.00000
-0.02176
-0.02191
25
0.00000
-0.09029
-0.00834
26
0.00000
-0.09029
0.00834
27
0.00000
0.02838
0.00837
28
0.00000
0.02838
-0.00837
29
0.00000
0.00391
-0.12182
30
0.00000
-0.00414
-0.12899
31
0.00000
-0.00414
0.12900
32
0.00000
0.00391
0.12182
33
0.00000
-0.01392
0.02552
34
0.00000
0.04530
0.05412
35
0.00000
0.04531
-0.05413
36
0.00000
-0.01392
-0.02552
37
0.00000
0.23249
0.13059
38
0.00000
0.08276
0.10323
39
0.00000
0.08276
-0.10323
40
0.00000
0.23250
-0.13059
41
0.00000
-0.09369
-0.04281
42
0.00000
-0.09369
0.04281