Charge: 2
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+2
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)
0.00000
Diff mu Z
(Debye)
0.47500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00970
-0.05049
2
0.00000
0.00970
-0.05048
3
0.00000
0.04056
0.01818
4
0.00000
0.03374
0.02063
5
0.00000
-0.03374
0.02063
6
0.00000
-0.04056
0.01818
7
0.00000
-0.02497
-0.00366
8
0.00000
0.00253
0.00255
9
0.00000
-0.00253
0.00255
10
0.00000
0.02497
-0.00366
11
0.00000
0.06747
0.01905
12
0.00000
0.06222
0.00405
13
0.00000
-0.06222
0.00405
14
0.00000
-0.06747
0.01905
15
0.00000
0.01276
0.05490
16
0.00000
-0.01276
0.05490
17
0.00000
-0.00071
-0.01830
18
0.00000
0.00653
-0.06678
19
0.00000
-0.00653
-0.06677
20
0.00000
0.00071
-0.01830
21
0.00000
0.00548
0.00099
22
0.00000
-0.01942
0.01674
23
0.00000
0.01942
0.01673
24
0.00000
-0.00548
0.00099
25
0.00000
-0.01368
-0.06806
26
0.00000
0.01368
-0.06806
27
0.00000
-0.01517
0.02457
28
0.00000
0.01517
0.02457
29
0.00000
0.00016
0.05206
30
0.00000
0.00586
0.16784
31
0.00000
-0.00586
0.16784
32
0.00000
-0.00016
0.05205
33
0.00000
-0.03514
-0.02396
34
0.00000
0.06263
0.06737
35
0.00000
-0.06263
0.06736
36
0.00000
0.03514
-0.02396
37
0.00000
0.05226
0.07236
38
0.00000
-0.06348
-0.07528
39
0.00000
0.06348
-0.07528
40
0.00000
-0.05226
0.07237
41
0.00000
-0.01117
0.28292
42
0.00000
0.01117
0.28292