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)
0.00000
Diff mu Z
(Debye)
0.07900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02120
-0.01663
2
0.00000
0.02120
-0.01663
3
0.00000
0.07058
0.01866
4
0.00000
-0.04450
0.00052
5
0.00000
0.04450
0.00052
6
0.00000
-0.07058
0.01866
7
0.00000
0.00752
-0.00424
8
0.00000
-0.03259
-0.01020
9
0.00000
0.03259
-0.01020
10
0.00000
-0.00752
-0.00424
11
0.00000
0.04167
0.01594
12
0.00000
0.02395
0.00502
13
0.00000
-0.02395
0.00502
14
0.00000
-0.04167
0.01594
15
0.00000
-0.03752
0.02315
16
0.00000
0.03752
0.02315
17
0.00000
0.03158
-0.05634
18
0.00000
-0.03133
0.02165
19
0.00000
0.03133
0.02165
20
0.00000
-0.03158
-0.05634
21
0.00000
-0.05264
-0.00046
22
0.00000
0.06280
0.01126
23
0.00000
-0.06280
0.01126
24
0.00000
0.05264
-0.00046
25
0.00000
-0.00690
-0.04641
26
0.00000
0.00690
-0.04641
27
0.00000
-0.01603
0.01543
28
0.00000
0.01603
0.01543
29
0.00000
0.03282
0.18343
30
0.00000
-0.03225
-0.10417
31
0.00000
0.03225
-0.10417
32
0.00000
-0.03282
0.18343
33
0.00000
0.14613
0.12568
34
0.00000
-0.15607
-0.11657
35
0.00000
0.15607
-0.11657
36
0.00000
-0.14613
0.12568
37
0.00000
0.04430
0.05531
38
0.00000
-0.02855
-0.02546
39
0.00000
0.02855
-0.02546
40
0.00000
-0.04430
0.05531
41
0.00000
-0.00278
0.15155
42
0.00000
0.00278
0.15155