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)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 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)
0.86000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00034
0.00000
0.00000
2
-0.00034
0.00000
0.00000
3
0.00001
0.00014
0.00000
4
0.00001
-0.00014
0.00000
5
0.00001
-0.00014
0.00000
6
0.00001
0.00014
0.00000
7
-0.00087
0.00077
0.00000
8
-0.00087
-0.00077
0.00000
9
-0.00087
-0.00077
0.00000
10
-0.00087
0.00077
0.00000
11
0.00008
0.00042
0.00000
12
0.00008
-0.00042
0.00000
13
0.00008
-0.00042
0.00000
14
0.00008
0.00042
0.00000
15
-0.01163
0.00000
0.00000
16
-0.01163
0.00000
0.00000
17
-0.00112
0.00068
0.00000
18
-0.00112
-0.00068
0.00000
19
-0.00112
-0.00068
0.00000
20
-0.00112
0.00068
0.00000
21
0.01508
-0.02524
0.00000
22
0.01508
0.02524
0.00000
23
0.01508
0.02524
0.00000
24
0.01508
-0.02524
0.00000
25
-0.01421
-0.02527
0.00000
26
-0.01421
0.02527
0.00000
27
-0.01421
0.02527
0.00000
28
-0.01421
-0.02527
0.00000
29
0.14093
0.00000
0.00000
30
0.14093
0.00000
0.00000
31
0.02425
0.00065
0.00000
32
0.02425
-0.00065
0.00000
33
0.02425
-0.00065
0.00000
34
0.02425
0.00065
0.00000
35
-0.16553
0.28560
0.00000
36
-0.16553
-0.28560
0.00000
37
-0.16553
-0.28560
0.00000
38
-0.16553
0.28560
0.00000
39
0.15429
0.28919
0.00000
40
0.15429
-0.28919
0.00000
41
0.15429
-0.28919
0.00000
42
0.15429
0.28919
0.00000