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)
-0.07400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00011
0.00013
2
0.00000
-0.00011
-0.00013
3
0.00000
0.00004
-0.00004
4
0.00000
-0.00009
-0.00002
5
0.00000
-0.00009
0.00002
6
0.00000
0.00004
0.00004
7
0.00000
0.00004
-0.00030
8
0.00000
-0.00054
-0.00056
9
0.00000
-0.00054
0.00056
10
0.00000
0.00004
0.00030
11
0.00000
0.00033
-0.00041
12
0.00000
0.00438
-0.00680
13
0.00000
0.00438
0.00680
14
0.00000
0.00033
0.00041
15
0.00000
-0.00032
-0.00227
16
0.00000
-0.00032
0.00227
17
0.00000
-0.04688
-0.00014
18
0.00000
0.00636
0.00010
19
0.00000
0.00636
-0.00010
20
0.00000
-0.04688
0.00014
21
0.00000
0.00991
-0.01420
22
0.00000
0.01087
-0.02083
23
0.00000
0.01087
0.02083
24
0.00000
0.00991
0.01420
25
0.00000
-0.00284
-0.00008
26
0.00000
-0.00284
0.00008
27
0.00000
-0.00474
0.00876
28
0.00000
-0.00474
-0.00876
29
0.00000
0.55502
0.00033
30
0.00000
-0.06080
-0.00148
31
0.00000
-0.06080
0.00148
32
0.00000
0.55502
-0.00033
33
0.00000
-0.11467
0.18684
34
0.00000
-0.13415
0.23505
35
0.00000
-0.13415
-0.23505
36
0.00000
-0.11467
-0.18684
37
0.00000
0.05910
-0.10130
38
0.00000
-0.04900
0.08569
39
0.00000
-0.04900
-0.08569
40
0.00000
0.05910
0.10130
41
0.00000
0.02536
-0.00077
42
0.00000
0.02536
0.00077