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)
0.07400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00003
0.00015
2
0.00000
0.00003
-0.00015
3
0.00000
-0.00037
0.00010
4
0.00000
-0.00003
0.00015
5
0.00000
-0.00003
-0.00015
6
0.00000
-0.00037
-0.00010
7
0.00000
-0.00128
-0.00003
8
0.00000
-0.00007
-0.00014
9
0.00000
-0.00007
0.00014
10
0.00000
-0.00128
0.00003
11
0.00000
-0.00024
0.00026
12
0.00000
0.00006
0.00000
13
0.00000
0.00006
0.00000
14
0.00000
-0.00024
-0.00026
15
0.00000
-0.00024
0.00037
16
0.00000
-0.00023
-0.00037
17
0.00000
0.00725
0.00184
18
0.00000
0.00009
-0.00025
19
0.00000
0.00009
0.00025
20
0.00000
0.00725
-0.00184
21
0.00000
0.02689
-0.04302
22
0.00000
0.00021
0.00005
23
0.00000
0.00021
-0.00006
24
0.00000
0.02688
0.04301
25
0.00000
0.02785
-0.00074
26
0.00000
0.02784
0.00074
27
0.00000
0.00152
-0.00470
28
0.00000
0.00152
0.00470
29
0.00000
-0.07138
-0.00170
30
0.00000
-0.00099
0.00018
31
0.00000
-0.00099
-0.00018
32
0.00000
-0.07135
0.00170
33
0.00000
-0.30881
0.49521
34
0.00000
-0.00057
0.00101
35
0.00000
-0.00056
-0.00100
36
0.00000
-0.30872
-0.49507
37
0.00000
-0.02523
0.04484
38
0.00000
-0.00031
0.00060
39
0.00000
-0.00032
-0.00060
40
0.00000
-0.02522
-0.04482
41
0.00000
-0.32715
0.00404
42
0.00000
-0.32705
-0.00404