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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00108
0.00000
0.00000
2
-0.00108
0.00000
0.00000
3
-0.00021
0.00000
0.00000
4
0.00107
0.00000
0.00000
5
-0.00107
0.00000
0.00000
6
0.00021
0.00000
0.00000
7
0.01130
0.00000
0.00000
8
-0.00037
0.00000
0.00000
9
0.00037
0.00000
0.00000
10
-0.01130
0.00000
0.00000
11
-0.00773
0.00000
0.00000
12
0.03666
0.00000
0.00000
13
-0.03666
0.00000
0.00000
14
0.00773
0.00000
0.00000
15
-0.00596
0.00000
0.00000
16
0.00596
0.00000
0.00000
17
0.05546
0.00000
0.00000
18
0.03521
0.00000
0.00000
19
-0.03521
0.00000
0.00000
20
-0.05546
0.00000
0.00000
21
-0.05654
0.00000
0.00000
22
-0.03887
0.00000
0.00000
23
0.03887
0.00000
0.00000
24
0.05654
0.00000
0.00000
25
0.00495
0.00000
0.00000
26
-0.00495
0.00000
0.00000
27
-0.01658
0.00000
0.00000
28
0.01658
0.00000
0.00000
29
-0.32233
0.00000
0.00000
30
-0.22804
0.00000
0.00000
31
0.22804
0.00000
0.00000
32
0.32233
0.00000
0.00000
33
0.30674
0.00000
0.00000
34
0.24509
0.00000
0.00000
35
-0.24509
0.00000
0.00000
36
-0.30674
0.00000
0.00000
37
0.07946
0.00000
0.00000
38
-0.22373
0.00000
0.00000
39
0.22373
0.00000
0.00000
40
-0.07946
0.00000
0.00000
41
0.00234
0.00000
0.00000
42
-0.00234
0.00000
0.00000