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)
-0.18200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01909
-0.03937
2
0.00000
0.01909
0.03937
3
0.00000
0.01476
0.03071
4
0.00000
-0.02523
0.00782
5
0.00000
-0.02523
-0.00782
6
0.00000
0.01476
-0.03071
7
0.00000
-0.02691
0.02997
8
0.00000
0.02521
-0.04541
9
0.00000
0.02521
0.04541
10
0.00000
-0.02691
-0.02997
11
0.00000
0.01992
-0.08278
12
0.00000
0.00951
0.03225
13
0.00000
0.00951
-0.03225
14
0.00000
0.01992
0.08278
15
0.00000
-0.02658
-0.00856
16
0.00000
-0.02658
0.00856
17
0.00000
-0.00533
-0.00331
18
0.00000
0.01814
-0.01557
19
0.00000
0.01814
0.01557
20
0.00000
-0.00533
0.00331
21
0.00000
0.02310
0.00554
22
0.00000
-0.02777
0.00327
23
0.00000
-0.02777
-0.00327
24
0.00000
0.02310
-0.00554
25
0.00000
-0.04569
0.02746
26
0.00000
-0.04569
-0.02746
27
0.00000
0.05800
0.05970
28
0.00000
0.05800
-0.05970
29
0.00000
-0.00595
-0.05173
30
0.00000
0.01845
0.04189
31
0.00000
0.01845
-0.04189
32
0.00000
-0.00595
0.05174
33
0.00000
0.02356
0.00264
34
0.00000
0.01937
0.03010
35
0.00000
0.01937
-0.03010
36
0.00000
0.02356
-0.00264
37
0.00000
-0.30543
-0.14570
38
0.00000
-0.05322
-0.00352
39
0.00000
-0.05322
0.00352
40
0.00000
-0.30543
0.14570
41
0.00000
-0.05664
-0.15444
42
0.00000
-0.05664
0.15444