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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04966
0.00000
0.00000
2
-0.04966
0.00000
0.00000
3
0.03362
-0.04633
0.00000
4
-0.03362
-0.04633
0.00000
5
0.03362
0.04633
0.00000
6
-0.03362
0.04633
0.00000
7
0.00211
-0.02796
0.00000
8
-0.00211
-0.02796
0.00000
9
0.00211
0.02796
0.00000
10
-0.00211
0.02796
0.00000
11
0.01415
-0.02060
0.00000
12
-0.01415
-0.02060
0.00000
13
0.01415
0.02060
0.00000
14
-0.01415
0.02060
0.00000
15
-0.01270
0.00000
0.00000
16
0.01270
0.00000
0.00000
17
-0.06569
-0.01463
0.00000
18
0.06569
-0.01463
0.00000
19
-0.06569
0.01463
0.00000
20
0.06569
0.01463
0.00000
21
-0.01923
0.02335
0.00000
22
0.01923
0.02335
0.00000
23
-0.01923
-0.02335
0.00000
24
0.01923
-0.02335
0.00000
25
0.06132
0.05226
0.00000
26
-0.06132
0.05226
0.00000
27
0.06132
-0.05225
0.00000
28
-0.06132
-0.05226
0.00000
29
-0.01299
0.00000
0.00000
30
0.01299
0.00000
0.00000
31
-0.06899
-0.12004
0.00000
32
0.06899
-0.12004
0.00000
33
-0.06899
0.12004
0.00000
34
0.06899
0.12004
0.00000
35
-0.02427
0.02756
0.00000
36
0.02427
0.02756
0.00000
37
-0.02426
-0.02757
0.00000
38
0.02426
-0.02757
0.00000
39
0.11487
0.02634
0.00000
40
-0.11487
0.02634
0.00000
41
0.11487
-0.02634
0.00000
42
-0.11487
-0.02634
0.00000