Charge: 1
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+1
Electronic States
Energy
(eV)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
1.34400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00032
-0.00007
2
0.00000
-0.00032
0.00007
3
0.00000
0.00005
-0.00012
4
0.00000
-0.00028
0.00032
5
0.00000
-0.00028
-0.00032
6
0.00000
0.00005
0.00012
7
0.00000
-0.00002
0.00003
8
0.00000
-0.00163
-0.00058
9
0.00000
-0.00163
0.00058
10
0.00000
-0.00002
-0.00003
11
0.00000
-0.00003
0.00004
12
0.00000
0.00196
-0.00337
13
0.00000
0.00196
0.00337
14
0.00000
-0.00003
-0.00004
15
0.00000
-0.00032
-0.00159
16
0.00000
-0.00032
0.00159
17
0.00000
0.00506
0.00011
18
0.00000
0.04239
0.00251
19
0.00000
0.04239
-0.00251
20
0.00000
0.00507
-0.00011
21
0.00000
-0.00127
0.00172
22
0.00000
0.01892
-0.03819
23
0.00000
0.01892
0.03819
24
0.00000
-0.00126
-0.00172
25
0.00000
0.00072
0.00003
26
0.00000
0.00071
-0.00003
27
0.00000
0.00040
-0.00079
28
0.00000
0.00040
0.00080
29
0.00000
-0.05850
0.00133
30
0.00000
-0.47148
-0.00357
31
0.00000
-0.47146
0.00357
32
0.00000
-0.05853
-0.00133
33
0.00000
0.01309
-0.02071
34
0.00000
-0.23132
0.41288
35
0.00000
-0.23132
-0.41287
36
0.00000
0.01307
0.02067
37
0.00000
-0.00498
0.00872
38
0.00000
-0.02045
0.03898
39
0.00000
-0.02046
-0.03900
40
0.00000
-0.00500
-0.00875
41
0.00000
-0.00770
0.00008
42
0.00000
-0.00768
-0.00008