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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05664
0.00000
0.00000
2
0.05663
0.00000
0.00000
3
-0.00311
0.00000
0.00000
4
0.03424
0.00000
0.00000
5
-0.03425
0.00000
0.00000
6
0.00311
0.00000
0.00000
7
0.05585
0.00000
0.00000
8
-0.00434
0.00000
0.00000
9
0.00436
0.00000
0.00000
10
-0.05585
0.00000
0.00000
11
0.06732
0.00000
0.00000
12
-0.08123
0.00000
0.00000
13
0.08123
0.00000
0.00000
14
-0.06729
0.00000
0.00000
15
0.01484
0.00000
0.00000
16
-0.01483
0.00000
0.00000
17
-0.00153
0.00000
0.00000
18
-0.04128
0.00000
0.00000
19
0.04126
0.00000
0.00000
20
0.00156
0.00000
0.00000
21
-0.02599
0.00000
0.00000
22
0.05990
0.00000
0.00000
23
-0.05988
0.00000
0.00000
24
0.02596
0.00000
0.00000
25
0.02436
0.00000
0.00000
26
-0.02438
0.00000
0.00000
27
-0.08442
0.00000
0.00000
28
0.08443
0.00000
0.00000
29
-0.01239
0.00000
0.00000
30
-0.12505
0.00000
0.00000
31
0.12499
0.00000
0.00000
32
0.01246
0.00000
0.00000
33
-0.09056
0.00000
0.00000
34
0.10111
0.00000
0.00000
35
-0.10109
0.00000
0.00000
36
0.09052
0.00000
0.00000
37
-0.19690
0.00000
0.00000
38
-0.17103
0.00000
0.00000
39
0.17100
0.00000
0.00000
40
0.19690
0.00000
0.00000
41
0.07843
0.00000
0.00000
42
-0.07851
0.00000
0.00000