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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
1.53500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00478
0.04613
2
0.00000
0.00479
0.04613
3
0.00000
0.03412
-0.02709
4
0.00000
0.01681
-0.00617
5
0.00000
-0.01682
-0.00617
6
0.00000
-0.03412
-0.02709
7
0.00000
0.02735
-0.00876
8
0.00000
0.02019
-0.02655
9
0.00000
-0.02019
-0.02655
10
0.00000
-0.02734
-0.00876
11
0.00000
-0.10349
0.06571
12
0.00000
0.01388
0.00764
13
0.00000
-0.01388
0.00764
14
0.00000
0.10349
0.06570
15
0.00000
0.00736
-0.03068
16
0.00000
-0.00735
-0.03068
17
0.00000
0.00128
0.00829
18
0.00000
0.00100
-0.00950
19
0.00000
-0.00100
-0.00950
20
0.00000
-0.00128
0.00829
21
0.00000
-0.02059
0.01022
22
0.00000
-0.01330
0.01881
23
0.00000
0.01330
0.01881
24
0.00000
0.02059
0.01022
25
0.00000
0.00886
-0.09257
26
0.00000
-0.00886
-0.09258
27
0.00000
0.07948
0.03920
28
0.00000
-0.07948
0.03920
29
0.00000
0.00013
0.01254
30
0.00000
-0.00027
0.05699
31
0.00000
0.00027
0.05697
32
0.00000
-0.00013
0.01255
33
0.00000
-0.01389
0.01786
34
0.00000
-0.06755
-0.01037
35
0.00000
0.06754
-0.01036
36
0.00000
0.01388
0.01787
37
0.00000
-0.05196
-0.04105
38
0.00000
0.04858
0.02706
39
0.00000
-0.04858
0.02706
40
0.00000
0.05196
-0.04105
41
0.00000
0.01303
0.00041
42
0.00000
-0.01303
0.00042