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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00641
0.00000
0.00000
2
0.00641
0.00000
0.00000
3
-0.08210
0.00000
0.00000
4
-0.08275
0.00000
0.00000
5
0.08275
0.00000
0.00000
6
0.08210
0.00000
0.00000
7
-0.04254
0.00000
0.00000
8
-0.05037
0.00000
0.00000
9
0.05037
0.00000
0.00000
10
0.04254
0.00000
0.00000
11
0.06034
0.00000
0.00000
12
0.05191
0.00000
0.00000
13
-0.05191
0.00000
0.00000
14
-0.06034
0.00000
0.00000
15
-0.00035
0.00000
0.00000
16
0.00035
0.00000
0.00000
17
-0.01855
0.00000
0.00000
18
-0.02253
0.00000
0.00000
19
0.02253
0.00000
0.00000
20
0.01855
0.00000
0.00000
21
0.01109
0.00000
0.00000
22
0.01698
0.00000
0.00000
23
-0.01698
0.00000
0.00000
24
-0.01109
0.00000
0.00000
25
0.05341
0.00000
0.00000
26
-0.05341
0.00000
0.00000
27
-0.07895
0.00000
0.00000
28
0.07895
0.00000
0.00000
29
0.01810
0.00000
0.00000
30
0.00925
0.00000
0.00000
31
-0.00925
0.00000
0.00000
32
-0.01810
0.00000
0.00000
33
0.10680
0.00000
0.00000
34
0.11271
0.00000
0.00000
35
-0.11271
0.00000
0.00000
36
-0.10680
0.00000
0.00000
37
-0.20089
0.00000
0.00000
38
0.12953
0.00000
0.00000
39
-0.12953
0.00000
0.00000
40
0.20089
0.00000
0.00000
41
0.04198
0.00000
0.00000
42
-0.04198
0.00000
0.00000