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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
1.03700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00456
-0.08029
2
0.00000
-0.00456
-0.08029
3
0.00000
-0.02211
-0.05609
4
0.00000
-0.02067
-0.03844
5
0.00000
0.02067
-0.03844
6
0.00000
0.02211
-0.05609
7
0.00000
-0.04417
-0.00469
8
0.00000
-0.03170
0.02507
9
0.00000
0.03170
0.02507
10
0.00000
0.04417
-0.00469
11
0.00000
-0.01573
0.00225
12
0.00000
-0.00541
0.03708
13
0.00000
0.00541
0.03708
14
0.00000
0.01573
0.00225
15
0.00000
0.01011
-0.02502
16
0.00000
-0.01011
-0.02502
17
0.00000
0.05801
0.01220
18
0.00000
0.03895
-0.00959
19
0.00000
-0.03895
-0.00959
20
0.00000
-0.05801
0.01220
21
0.00000
-0.05830
0.07934
22
0.00000
-0.04411
0.03654
23
0.00000
0.04411
0.03654
24
0.00000
0.05830
0.07934
25
0.00000
-0.04251
0.01314
26
0.00000
0.04251
0.01314
27
0.00000
-0.00863
0.00576
28
0.00000
0.00863
0.00576
29
0.00000
0.05599
-0.05327
30
0.00000
0.03910
-0.04846
31
0.00000
-0.03910
-0.04846
32
0.00000
-0.05599
-0.05327
33
0.00000
-0.10615
0.04637
34
0.00000
-0.11319
-0.00540
35
0.00000
0.11319
-0.00540
36
0.00000
0.10615
0.04637
37
0.00000
0.02071
0.02697
38
0.00000
0.00371
0.04348
39
0.00000
-0.00371
0.04348
40
0.00000
-0.02071
0.02697
41
0.00000
-0.04231
0.02292
42
0.00000
0.04231
0.02292