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)
1.50800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04888
0.02246
2
0.00000
-0.04888
-0.02246
3
0.00000
-0.00095
-0.03695
4
0.00000
0.02179
-0.02802
5
0.00000
0.02179
0.02802
6
0.00000
-0.00095
0.03695
7
0.00000
0.02685
0.00070
8
0.00000
0.00344
0.05961
9
0.00000
0.00344
-0.05961
10
0.00000
0.02685
-0.00070
11
0.00000
-0.02617
0.05493
12
0.00000
-0.02832
-0.05350
13
0.00000
-0.02832
0.05350
14
0.00000
-0.02617
-0.05493
15
0.00000
0.05857
0.00684
16
0.00000
0.05857
-0.00684
17
0.00000
-0.00196
-0.02348
18
0.00000
-0.02000
-0.01358
19
0.00000
-0.02000
0.01358
20
0.00000
-0.00196
0.02348
21
0.00000
-0.02687
0.00049
22
0.00000
0.00859
0.00228
23
0.00000
0.00859
-0.00228
24
0.00000
-0.02687
-0.00049
25
0.00000
0.03853
-0.02904
26
0.00000
0.03853
0.02904
27
0.00000
-0.04467
-0.04320
28
0.00000
-0.04467
0.04320
29
0.00000
-0.00441
0.15850
30
0.00000
-0.02463
0.08814
31
0.00000
-0.02463
-0.08814
32
0.00000
-0.00441
-0.15850
33
0.00000
0.04243
0.05098
34
0.00000
0.02445
0.01602
35
0.00000
0.02445
-0.01602
36
0.00000
0.04243
-0.05098
37
0.00000
0.24870
0.12655
38
0.00000
0.14574
0.04714
39
0.00000
0.14574
-0.04714
40
0.00000
0.24870
-0.12655
41
0.00000
0.04470
0.10655
42
0.00000
0.04470
-0.10655