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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.28300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02642
0.02084
2
0.00000
0.02642
0.02084
3
0.00000
-0.01617
0.04226
4
0.00000
0.01581
-0.01581
5
0.00000
-0.01581
-0.01581
6
0.00000
0.01617
0.04226
7
0.00000
-0.05064
-0.01938
8
0.00000
0.01633
-0.04633
9
0.00000
-0.01633
-0.04633
10
0.00000
0.05064
-0.01938
11
0.00000
-0.05068
-0.04614
12
0.00000
-0.01550
0.02667
13
0.00000
0.01550
0.02667
14
0.00000
0.05068
-0.04614
15
0.00000
-0.03504
-0.00353
16
0.00000
0.03504
-0.00353
17
0.00000
0.05177
0.00222
18
0.00000
-0.01767
-0.00393
19
0.00000
0.01767
-0.00393
20
0.00000
-0.05177
0.00222
21
0.00000
0.01847
-0.02519
22
0.00000
-0.01853
0.02734
23
0.00000
0.01853
0.02734
24
0.00000
-0.01847
-0.02519
25
0.00000
0.00765
0.03377
26
0.00000
-0.00765
0.03377
27
0.00000
0.05783
-0.01848
28
0.00000
-0.05783
-0.01848
29
0.00000
0.05400
0.12013
30
0.00000
-0.01854
-0.14279
31
0.00000
0.01854
-0.14279
32
0.00000
-0.05400
0.12013
33
0.00000
0.02704
-0.02118
34
0.00000
0.10096
0.09846
35
0.00000
-0.10096
0.09846
36
0.00000
-0.02704
-0.02118
37
0.00000
0.19143
0.05692
38
0.00000
-0.15784
-0.05284
39
0.00000
0.15784
-0.05284
40
0.00000
-0.19143
0.05692
41
0.00000
0.00830
0.24716
42
0.00000
-0.00830
0.24716