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)
0.55700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00340
-0.01264
2
0.00000
-0.00340
0.01264
3
0.00000
0.00735
-0.02014
4
0.00000
0.00932
0.01468
5
0.00000
0.00932
-0.01468
6
0.00000
0.00735
0.02014
7
0.00000
0.00541
-0.02192
8
0.00000
0.00975
0.01789
9
0.00000
0.00975
-0.01789
10
0.00000
0.00541
0.02192
11
0.00000
-0.02823
-0.01788
12
0.00000
-0.11063
0.03796
13
0.00000
-0.11063
-0.03796
14
0.00000
-0.02823
0.01788
15
0.00000
-0.01243
0.01437
16
0.00000
-0.01243
-0.01437
17
0.00000
-0.02148
0.05365
18
0.00000
0.07371
0.04674
19
0.00000
0.07371
-0.04674
20
0.00000
-0.02148
-0.05365
21
0.00000
0.00853
0.04198
22
0.00000
0.05551
0.05331
23
0.00000
0.05551
-0.05331
24
0.00000
0.00853
-0.04198
25
0.00000
-0.01333
-0.00584
26
0.00000
-0.01333
0.00584
27
0.00000
0.01637
-0.01870
28
0.00000
0.01637
0.01870
29
0.00000
-0.02149
0.07972
30
0.00000
0.07343
0.10078
31
0.00000
0.07343
-0.10078
32
0.00000
-0.02149
-0.07972
33
0.00000
0.05795
0.07151
34
0.00000
0.07154
0.06235
35
0.00000
0.07154
-0.06235
36
0.00000
0.05795
-0.07151
37
0.00000
0.00640
-0.02375
38
0.00000
-0.13341
0.02457
39
0.00000
-0.13341
-0.02457
40
0.00000
0.00640
0.02375
41
0.00000
-0.01214
0.04254
42
0.00000
-0.01214
-0.04254