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)
-1.30100
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00155
-0.03101
2
0.00000
0.00155
-0.03101
3
0.00000
-0.02797
0.02071
4
0.00000
0.00236
0.00352
5
0.00000
-0.00236
0.00352
6
0.00000
0.02797
0.02071
7
0.00000
0.04500
0.00223
8
0.00000
0.01194
0.01110
9
0.00000
-0.01194
0.01110
10
0.00000
-0.04500
0.00223
11
0.00000
-0.00966
-0.03622
12
0.00000
0.03532
0.00236
13
0.00000
-0.03532
0.00236
14
0.00000
0.00966
-0.03622
15
0.00000
0.00584
0.06838
16
0.00000
-0.00584
0.06838
17
0.00000
-0.00305
-0.08877
18
0.00000
0.01671
-0.01745
19
0.00000
-0.01671
-0.01745
20
0.00000
0.00305
-0.08877
21
0.00000
-0.01545
0.03321
22
0.00000
-0.03331
-0.01741
23
0.00000
0.03331
-0.01741
24
0.00000
0.01545
0.03321
25
0.00000
-0.02316
0.04367
26
0.00000
0.02316
0.04367
27
0.00000
0.08099
0.00502
28
0.00000
-0.08099
0.00502
29
0.00000
-0.00372
0.16948
30
0.00000
0.02149
0.05764
31
0.00000
-0.02149
0.05764
32
0.00000
0.00372
0.16948
33
0.00000
0.05636
0.07833
34
0.00000
0.08050
0.04646
35
0.00000
-0.08050
0.04646
36
0.00000
-0.05636
0.07833
37
0.00000
-0.10335
-0.11091
38
0.00000
-0.02670
-0.03977
39
0.00000
0.02670
-0.03977
40
0.00000
0.10335
-0.11091
41
0.00000
-0.02577
-0.19326
42
0.00000
0.02577
-0.19326