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)
0.18800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00003
0.00000
0.00000
2
-0.00003
0.00000
0.00000
3
0.00040
-0.00012
0.00000
4
0.00040
0.00012
0.00000
5
0.00040
0.00012
0.00000
6
0.00040
-0.00012
0.00000
7
0.00002
-0.00006
0.00000
8
0.00002
0.00006
0.00000
9
0.00002
0.00006
0.00000
10
0.00002
-0.00006
0.00000
11
0.00061
-0.00105
0.00000
12
0.00061
0.00105
0.00000
13
0.00061
0.00105
0.00000
14
0.00061
-0.00105
0.00000
15
-0.00651
0.00000
0.00000
16
-0.00651
0.00000
0.00000
17
-0.03919
-0.00039
0.00000
18
-0.03918
0.00039
0.00000
19
-0.03919
0.00039
0.00000
20
-0.03919
-0.00039
0.00000
21
0.00750
-0.01026
0.00000
22
0.00750
0.01025
0.00000
23
0.00750
0.01026
0.00000
24
0.00750
-0.01026
0.00000
25
0.00178
0.00388
0.00000
26
0.00178
-0.00388
0.00000
27
0.00178
-0.00388
0.00000
28
0.00178
0.00388
0.00000
29
0.07458
0.00000
0.00000
30
0.07457
0.00000
0.00000
31
0.44606
0.00619
0.00000
32
0.44596
-0.00618
0.00000
33
0.44603
-0.00618
0.00000
34
0.44601
0.00618
0.00000
35
-0.07789
0.13110
0.00000
36
-0.07787
-0.13107
0.00000
37
-0.07788
-0.13109
0.00000
38
-0.07788
0.13109
0.00000
39
-0.02255
-0.04307
0.00000
40
-0.02255
0.04306
0.00000
41
-0.02255
0.04307
0.00000
42
-0.02255
-0.04306
0.00000