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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.13400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02825
0.01072
2
0.00000
0.02825
-0.01072
3
0.00000
0.04348
-0.00229
4
0.00000
0.00864
-0.00628
5
0.00000
0.00864
0.00628
6
0.00000
0.04348
0.00229
7
0.00000
0.04132
-0.01195
8
0.00000
-0.01621
-0.02026
9
0.00000
-0.01621
0.02026
10
0.00000
0.04132
0.01195
11
0.00000
0.01928
-0.01621
12
0.00000
-0.03892
-0.00938
13
0.00000
-0.03892
0.00938
14
0.00000
0.01928
0.01621
15
0.00000
0.02837
0.02896
16
0.00000
0.02837
-0.02896
17
0.00000
0.03297
0.02584
18
0.00000
0.00454
-0.04788
19
0.00000
0.00454
0.04788
20
0.00000
0.03297
-0.02584
21
0.00000
0.04415
0.01068
22
0.00000
-0.01535
-0.03913
23
0.00000
-0.01535
0.03913
24
0.00000
0.04415
-0.01068
25
0.00000
-0.04852
-0.05631
26
0.00000
-0.04852
0.05631
27
0.00000
-0.11558
-0.02585
28
0.00000
-0.11558
0.02585
29
0.00000
0.03330
0.03154
30
0.00000
0.00485
-0.07100
31
0.00000
0.00485
0.07100
32
0.00000
0.03330
-0.03154
33
0.00000
0.05239
0.01287
34
0.00000
-0.02773
-0.04631
35
0.00000
-0.02773
0.04631
36
0.00000
0.05239
-0.01287
37
0.00000
-0.15728
-0.05029
38
0.00000
-0.05365
-0.01803
39
0.00000
-0.05365
0.01803
40
0.00000
-0.15728
0.05029
41
0.00000
-0.04738
-0.11180
42
0.00000
-0.04738
0.11179