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)
0.60200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03193
0.03289
2
0.00000
-0.03193
-0.03289
3
0.00000
0.00908
-0.04680
4
0.00000
0.00669
0.01194
5
0.00000
0.00669
-0.01194
6
0.00000
0.00908
0.04680
7
0.00000
0.00871
0.04792
8
0.00000
0.03656
0.02559
9
0.00000
0.03656
-0.02559
10
0.00000
0.00871
-0.04792
11
0.00000
0.00330
-0.05288
12
0.00000
-0.03976
-0.05152
13
0.00000
-0.03976
0.05152
14
0.00000
0.00330
0.05288
15
0.00000
0.03161
-0.00292
16
0.00000
0.03161
0.00292
17
0.00000
0.00124
-0.03872
18
0.00000
-0.02086
-0.04702
19
0.00000
-0.02086
0.04702
20
0.00000
0.00124
0.03872
21
0.00000
-0.02915
-0.00233
22
0.00000
0.00469
0.02695
23
0.00000
0.00469
-0.02695
24
0.00000
-0.02915
0.00233
25
0.00000
-0.02367
0.03060
26
0.00000
-0.02367
-0.03060
27
0.00000
0.03100
0.02605
28
0.00000
0.03100
-0.02605
29
0.00000
0.00145
0.12794
30
0.00000
-0.02399
0.12191
31
0.00000
-0.02399
-0.12191
32
0.00000
0.00145
-0.12794
33
0.00000
0.17475
0.12050
34
0.00000
-0.01914
0.01889
35
0.00000
-0.01914
-0.01889
36
0.00000
0.17475
-0.12050
37
0.00000
-0.15359
-0.08124
38
0.00000
0.19461
0.08236
39
0.00000
0.19461
-0.08236
40
0.00000
-0.15359
0.08124
41
0.00000
-0.02525
-0.18737
42
0.00000
-0.02525
0.18737