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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.03600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00003
-0.00004
2
0.00000
-0.00003
0.00004
3
0.00000
-0.00006
0.00028
4
0.00000
-0.00004
0.00006
5
0.00000
-0.00004
-0.00006
6
0.00000
-0.00006
-0.00028
7
0.00000
0.00025
0.00066
8
0.00000
0.00006
0.00009
9
0.00000
0.00006
-0.00009
10
0.00000
0.00025
-0.00066
11
0.00000
-0.00062
-0.00083
12
0.00000
-0.00173
0.00260
13
0.00000
-0.00173
-0.00260
14
0.00000
-0.00062
0.00083
15
0.00000
0.00003
-0.00032
16
0.00000
0.00003
0.00032
17
0.00000
-0.01082
-0.00063
18
0.00000
-0.00509
-0.00029
19
0.00000
-0.00509
0.00029
20
0.00000
-0.01082
0.00063
21
0.00000
-0.01545
0.02585
22
0.00000
-0.00155
0.00279
23
0.00000
-0.00155
-0.00279
24
0.00000
-0.01545
-0.02585
25
0.00000
-0.04451
0.00006
26
0.00000
-0.04451
-0.00006
27
0.00000
-0.00525
0.01037
28
0.00000
-0.00525
-0.01037
29
0.00000
0.12191
-0.00006
30
0.00000
0.06136
0.00056
31
0.00000
0.06136
-0.00056
32
0.00000
0.12191
0.00006
33
0.00000
0.18648
-0.31288
34
0.00000
0.01905
-0.03318
35
0.00000
0.01905
0.03318
36
0.00000
0.18648
0.31288
37
0.00000
0.06594
-0.11376
38
0.00000
0.01980
-0.03401
39
0.00000
0.01980
0.03401
40
0.00000
0.06594
0.11376
41
0.00000
0.53531
0.00106
42
0.00000
0.53531
-0.00106