Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
-2.18200
Eigenvectors
#
X
Y
Z
1
0.00000
0.02267
0.00300
2
0.00000
-0.02268
0.00300
3
0.00000
0.00047
-0.01222
4
0.00000
0.01556
0.00650
5
0.00000
-0.01556
0.00650
6
0.00000
-0.00047
-0.01223
7
0.00000
0.00050
0.02742
8
0.00000
-0.00650
-0.00466
9
0.00000
0.00649
-0.00466
10
0.00000
-0.00051
0.02742
11
0.00000
0.06173
-0.04114
12
0.00000
-0.02057
-0.00225
13
0.00000
0.02057
-0.00225
14
0.00000
-0.06173
-0.04113
15
0.00000
-0.01909
-0.01221
16
0.00000
0.01910
-0.01221
17
0.00000
0.01315
0.02766
18
0.00000
-0.00980
-0.00409
19
0.00000
0.00979
-0.00409
20
0.00000
-0.01315
0.02767
21
0.00000
-0.02634
-0.02937
22
0.00000
0.01565
0.01031
23
0.00000
-0.01565
0.01031
24
0.00000
0.02635
-0.02937
25
0.00000
-0.05114
0.04091
26
0.00000
0.05114
0.04090
27
0.00000
0.13109
0.01731
28
0.00000
-0.13109
0.01732
29
0.00000
0.01596
-0.04717
30
0.00000
-0.01154
0.00982
31
0.00000
0.01154
0.00982
32
0.00000
-0.01597
-0.04717
33
0.00000
0.10669
0.05102
34
0.00000
-0.03440
-0.01905
35
0.00000
0.03439
-0.01904
36
0.00000
-0.10671
0.05103
37
0.00000
-0.15618
-0.16615
38
0.00000
0.01135
0.01923
39
0.00000
-0.01135
0.01923
40
0.00000
0.15619
-0.16615
41
0.00000
-0.06061
-0.17143
42
0.00000
0.06061
-0.17141