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)
-0.16800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03933
-0.02811
2
0.00000
0.03934
0.02810
3
0.00000
-0.00514
-0.01204
4
0.00000
-0.01055
-0.03615
5
0.00000
-0.01055
0.03615
6
0.00000
-0.00513
0.01205
7
0.00000
-0.00017
-0.00444
8
0.00000
-0.09232
-0.05301
9
0.00000
-0.09231
0.05301
10
0.00000
-0.00017
0.00444
11
0.00000
0.01187
0.00782
12
0.00000
0.00618
0.00620
13
0.00000
0.00618
-0.00620
14
0.00000
0.01187
-0.00783
15
0.00000
0.00619
-0.06218
16
0.00000
0.00619
0.06217
17
0.00000
-0.01444
0.01496
18
0.00000
0.02991
0.00007
19
0.00000
0.02991
-0.00007
20
0.00000
-0.01443
-0.01496
21
0.00000
-0.01513
0.00112
22
0.00000
0.01948
-0.02903
23
0.00000
0.01947
0.02903
24
0.00000
-0.01513
-0.00111
25
0.00000
-0.00098
0.01518
26
0.00000
-0.00098
-0.01518
27
0.00000
-0.00146
-0.00805
28
0.00000
-0.00145
0.00805
29
0.00000
-0.01834
0.28458
30
0.00000
0.03623
0.03049
31
0.00000
0.03623
-0.03047
32
0.00000
-0.01834
-0.28460
33
0.00000
-0.04926
-0.01737
34
0.00000
0.13001
0.02459
35
0.00000
0.12999
-0.02458
36
0.00000
-0.04929
0.01739
37
0.00000
-0.06207
-0.04369
38
0.00000
0.28792
0.17306
39
0.00000
0.28792
-0.17306
40
0.00000
-0.06209
0.04370
41
0.00000
-0.00046
0.07308
42
0.00000
-0.00045
-0.07309