Charge: -1
Inchi:1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H/q-1
Electronic States
Energy
(eV)
-1074.10796
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.52600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07755
0.00000
0.00000
2
0.07755
0.00000
0.00000
3
0.02112
-0.04451
0.00000
4
0.02112
0.04451
0.00000
5
0.02112
0.04451
0.00000
6
0.02112
-0.04451
0.00000
7
-0.02531
-0.05217
0.00000
8
-0.02531
0.05217
0.00000
9
-0.02531
0.05217
0.00000
10
-0.02531
-0.05217
0.00000
11
0.00388
0.01276
0.00000
12
0.00388
-0.01276
0.00000
13
0.00388
-0.01276
0.00000
14
0.00388
0.01276
0.00000
15
0.00079
0.00000
0.00000
16
0.00079
0.00000
0.00000
17
-0.00631
0.04674
0.00000
18
-0.00631
-0.04675
0.00000
19
-0.00631
-0.04674
0.00000
20
-0.00631
0.04674
0.00000
21
-0.01596
0.05623
0.00000
22
-0.01596
-0.05623
0.00000
23
-0.01596
-0.05623
0.00000
24
-0.01596
0.05623
0.00000
25
-0.02306
-0.06209
0.00000
26
-0.02306
0.06209
0.00000
27
-0.02306
0.06209
0.00000
28
-0.02306
-0.06209
0.00000
29
-0.00015
0.00000
0.00000
30
-0.00014
0.00000
0.00000
31
-0.00686
0.02919
0.00000
32
-0.00686
-0.02919
0.00000
33
-0.00686
-0.02919
0.00000
34
-0.00686
0.02919
0.00000
35
0.03728
0.08629
0.00000
36
0.03728
-0.08629
0.00000
37
0.03727
-0.08629
0.00000
38
0.03728
0.08629
0.00000
39
0.04673
-0.09943
0.00000
40
0.04673
0.09943
0.00000
41
0.04673
0.09943
0.00000
42
0.04673
-0.09943
0.00000