Charge: 2
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+2
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)
-0.14400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00595
0.00385
2
0.00000
-0.00595
-0.00385
3
0.00000
-0.03363
0.00029
4
0.00000
0.04759
-0.03370
5
0.00000
0.04759
0.03370
6
0.00000
-0.03363
-0.00029
7
0.00000
-0.02803
-0.01035
8
0.00000
0.03110
-0.07559
9
0.00000
0.03110
0.07559
10
0.00000
-0.02803
0.01035
11
0.00000
0.04713
-0.03519
12
0.00000
-0.04056
-0.05104
13
0.00000
-0.04056
0.05104
14
0.00000
0.04713
0.03519
15
0.00000
-0.01430
-0.01329
16
0.00000
-0.01430
0.01329
17
0.00000
-0.03644
-0.02890
18
0.00000
-0.01125
0.00679
19
0.00000
-0.01125
-0.00679
20
0.00000
-0.03644
0.02890
21
0.00000
-0.04562
-0.01733
22
0.00000
0.03926
-0.03674
23
0.00000
0.03926
0.03674
24
0.00000
-0.04562
0.01733
25
0.00000
0.05021
-0.06429
26
0.00000
0.05021
0.06429
27
0.00000
0.01081
-0.04629
28
0.00000
0.01081
0.04629
29
0.00000
-0.03701
-0.05155
30
0.00000
-0.01104
0.03361
31
0.00000
-0.01104
-0.03361
32
0.00000
-0.03701
0.05155
33
0.00000
-0.05784
-0.02467
34
0.00000
0.09317
-0.00535
35
0.00000
0.09317
0.00535
36
0.00000
-0.05784
0.02467
37
0.00000
-0.04562
-0.07943
38
0.00000
-0.11575
-0.09429
39
0.00000
-0.11575
0.09429
40
0.00000
-0.04562
0.07943
41
0.00000
0.05100
-0.08417
42
0.00000
0.05100
0.08417