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)
-0.75400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00010
0.00000
0.00000
2
0.00010
0.00000
0.00000
3
-0.00016
-0.00035
0.00000
4
-0.00016
0.00035
0.00000
5
-0.00016
0.00035
0.00000
6
-0.00016
-0.00035
0.00000
7
0.00115
-0.00122
0.00000
8
0.00115
0.00122
0.00000
9
0.00115
0.00122
0.00000
10
0.00115
-0.00122
0.00000
11
0.00015
-0.00059
0.00000
12
0.00015
0.00059
0.00000
13
0.00015
0.00059
0.00000
14
0.00015
-0.00059
0.00000
15
-0.00164
0.00000
0.00000
16
-0.00164
0.00000
0.00000
17
-0.01157
-0.00146
0.00000
18
-0.01157
0.00146
0.00000
19
-0.01157
0.00146
0.00000
20
-0.01157
-0.00146
0.00000
21
-0.01148
0.02013
0.00000
22
-0.01148
-0.02013
0.00000
23
-0.01149
-0.02014
0.00000
24
-0.01149
0.02014
0.00000
25
0.01616
0.02979
0.00000
26
0.01616
-0.02979
0.00000
27
0.01617
-0.02980
0.00000
28
0.01617
0.02980
0.00000
29
0.01834
0.00000
0.00000
30
0.01834
0.00000
0.00000
31
0.12358
0.00341
0.00000
32
0.12358
-0.00341
0.00000
33
0.12362
-0.00341
0.00000
34
0.12362
0.00341
0.00000
35
0.12532
-0.21914
0.00000
36
0.12532
0.21914
0.00000
37
0.12537
0.21922
0.00000
38
0.12537
-0.21922
0.00000
39
-0.18036
-0.33839
0.00000
40
-0.18036
0.33839
0.00000
41
-0.18043
0.33852
0.00000
42
-0.18043
-0.33852
0.00000