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)
0.01400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00790
0.09153
2
0.00000
0.00790
-0.09153
3
0.00000
0.05436
0.05153
4
0.00000
-0.07702
-0.04181
5
0.00000
-0.07702
0.04181
6
0.00000
0.05436
-0.05153
7
0.00000
-0.00080
0.02244
8
0.00000
-0.02319
-0.00425
9
0.00000
-0.02319
0.00425
10
0.00000
-0.00080
-0.02244
11
0.00000
0.02488
0.01003
12
0.00000
0.00697
-0.02355
13
0.00000
0.00697
0.02355
14
0.00000
0.02488
-0.01003
15
0.00000
0.02178
0.02434
16
0.00000
0.02178
-0.02434
17
0.00000
-0.05519
-0.02315
18
0.00000
0.07723
0.01068
19
0.00000
0.07723
-0.01068
20
0.00000
-0.05519
0.02315
21
0.00000
-0.02872
-0.02860
22
0.00000
-0.00813
0.05457
23
0.00000
-0.00813
-0.05457
24
0.00000
-0.02872
0.02860
25
0.00000
0.01678
-0.00800
26
0.00000
0.01678
0.00800
27
0.00000
-0.01129
-0.00036
28
0.00000
-0.01129
0.00036
29
0.00000
-0.05476
-0.04526
30
0.00000
0.07621
-0.02441
31
0.00000
0.07621
0.02441
32
0.00000
-0.05476
0.04526
33
0.00000
-0.03246
-0.02909
34
0.00000
-0.03637
0.03711
35
0.00000
-0.03637
-0.03711
36
0.00000
-0.03246
0.02909
37
0.00000
-0.02146
-0.00688
38
0.00000
-0.01379
-0.03446
39
0.00000
-0.01379
0.03446
40
0.00000
-0.02146
0.00688
41
0.00000
0.01660
-0.04024
42
0.00000
0.01660
0.04024