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)
0.71600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00317
-0.05172
2
0.00000
0.00317
-0.05172
3
-0.00001
-0.01609
-0.01225
4
0.00000
-0.01546
-0.01485
5
0.00000
0.01546
-0.01485
6
0.00001
0.01609
-0.01224
7
0.00000
-0.03823
0.03413
8
0.00000
-0.04484
0.02309
9
0.00000
0.04484
0.02309
10
0.00000
0.03823
0.03413
11
0.00000
0.00131
0.00054
12
0.00000
0.00265
-0.02418
13
0.00000
-0.00265
-0.02418
14
0.00000
-0.00130
0.00054
15
0.00000
-0.00330
-0.04547
16
0.00000
0.00330
-0.04547
17
0.00000
0.08158
-0.01341
18
0.00000
0.08779
-0.00450
19
0.00000
-0.08779
-0.00450
20
0.00000
-0.08159
-0.01341
21
0.00000
-0.03684
0.05512
22
0.00000
-0.03946
0.07486
23
0.00000
0.03946
0.07486
24
0.00000
0.03684
0.05512
25
0.00000
0.00702
-0.00638
26
0.00000
-0.00702
-0.00638
27
0.00000
0.00212
-0.00807
28
0.00000
-0.00212
-0.00807
29
0.00000
0.08278
-0.05250
30
0.00000
0.08855
-0.05011
31
0.00000
-0.08855
-0.05011
32
0.00000
-0.08278
-0.05250
33
-0.00001
-0.11450
0.00715
34
-0.00001
-0.10445
0.03831
35
0.00001
0.10445
0.03831
36
0.00001
0.11449
0.00715
37
0.00000
0.00051
-0.00959
38
0.00000
0.04133
-0.00174
39
0.00000
-0.04132
-0.00174
40
0.00000
-0.00051
-0.00960
41
0.00001
0.00754
-0.01378
42
-0.00001
-0.00754
-0.01378