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)
0.00000
Diff mu Z
(Debye)
-0.02500
Eigenvectors
#
X
Y
Z
1
0.00000
0.01839
-0.01329
2
0.00000
-0.01839
-0.01329
3
0.00000
0.03322
0.01177
4
0.00000
0.03342
0.01103
5
0.00000
-0.03342
0.01103
6
0.00000
-0.03322
0.01177
7
0.00000
0.05311
0.00426
8
0.00000
0.08600
0.04458
9
0.00000
-0.08600
0.04458
10
0.00000
-0.05311
0.00426
11
0.00000
0.02789
-0.04407
12
0.00000
0.01603
-0.03423
13
0.00000
-0.01603
-0.03423
14
0.00000
-0.02789
-0.04407
15
0.00000
-0.00270
-0.04937
16
0.00000
0.00270
-0.04937
17
0.00000
-0.01019
0.01508
18
0.00000
-0.02402
0.00040
19
0.00000
0.02402
0.00040
20
0.00000
0.01019
0.01508
21
0.00000
-0.02884
0.01150
22
0.00000
-0.02330
0.02087
23
0.00000
0.02330
0.02087
24
0.00000
0.02884
0.01150
25
0.00000
-0.00764
0.01077
26
0.00000
0.00764
0.01077
27
0.00000
0.00706
0.01227
28
0.00000
-0.00706
0.01227
29
0.00000
-0.01328
0.08555
30
0.00000
-0.02800
-0.09736
31
0.00000
0.02800
-0.09736
32
0.00000
0.01329
0.08555
33
0.00000
-0.11945
-0.04114
34
0.00000
-0.06233
0.00490
35
0.00000
0.06233
0.00490
36
0.00000
0.11945
-0.04114
37
0.00000
0.32010
0.19620
38
0.00000
0.02808
-0.03516
39
0.00000
-0.02808
-0.03516
40
0.00000
-0.32010
0.19620
41
0.00000
-0.00981
-0.13153
42
0.00000
0.00981
-0.13154