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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 c
(cm-1)
0.00389
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00224
0.00000
0.00000
2
0.00223
0.00000
0.00000
3
-0.00643
-0.01258
0.00000
4
0.00643
-0.01258
0.00000
5
-0.00643
0.01258
0.00000
6
0.00643
0.01258
0.00000
7
0.01054
-0.03226
0.00000
8
-0.01054
-0.03226
0.00000
9
0.01054
0.03226
0.00000
10
-0.01054
0.03226
0.00000
11
-0.00540
0.00633
0.00000
12
0.00539
0.00633
0.00000
13
-0.00540
-0.00633
0.00000
14
0.00539
-0.00633
0.00000
15
-0.01468
0.00000
0.00000
16
0.01468
0.00000
0.00000
17
0.04653
0.04381
0.00000
18
-0.04653
0.04380
0.00000
19
0.04653
-0.04381
0.00000
20
-0.04653
-0.04380
0.00000
21
0.08041
0.02968
0.00000
22
-0.08040
0.02968
0.00000
23
0.08041
-0.02968
0.00000
24
-0.08040
-0.02968
0.00000
25
0.07133
-0.00591
0.00000
26
-0.07132
-0.00591
0.00000
27
0.07133
0.00591
0.00000
28
-0.07132
0.00591
0.00000
29
-0.01515
0.00000
0.00000
30
0.01515
0.00000
0.00000
31
0.04584
0.08995
0.00000
32
-0.04584
0.08995
0.00000
33
0.04584
-0.08995
0.00000
34
-0.04584
-0.08995
0.00000
35
0.10188
0.04203
0.00000
36
-0.10188
0.04203
0.00000
37
0.10188
-0.04203
0.00000
38
-0.10188
-0.04203
0.00000
39
0.09881
-0.02297
0.00000
40
-0.09881
-0.02297
0.00000
41
0.09881
0.02297
0.00000
42
-0.09881
0.02297
0.00000