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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.01000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03396
-0.00604
2
0.00000
-0.03396
0.00604
3
0.00000
0.01152
-0.04309
4
0.00000
0.03084
-0.01829
5
0.00000
0.03084
0.01829
6
0.00000
0.01152
0.04309
7
0.00000
0.01499
0.05714
8
0.00000
-0.08170
-0.00690
9
0.00000
-0.08170
0.00690
10
0.00000
0.01499
-0.05714
11
0.00000
-0.00614
-0.02829
12
0.00000
0.03501
0.03161
13
0.00000
0.03501
-0.03161
14
0.00000
-0.00614
0.02829
15
0.00000
0.02875
0.06423
16
0.00000
0.02875
-0.06423
17
0.00000
0.01623
-0.02230
18
0.00000
-0.02016
0.05869
19
0.00000
-0.02016
-0.05869
20
0.00000
0.01623
0.02230
21
0.00000
-0.04096
-0.02597
22
0.00000
0.05244
-0.00417
23
0.00000
0.05244
0.00417
24
0.00000
-0.04096
0.02597
25
0.00000
-0.01028
-0.00909
26
0.00000
-0.01028
0.00909
27
0.00000
0.01556
0.02256
28
0.00000
0.01555
-0.02256
29
0.00000
0.02058
0.10079
30
0.00000
-0.02051
-0.13038
31
0.00000
-0.02051
0.13038
32
0.00000
0.02059
-0.10079
33
0.00000
0.14701
0.08876
34
0.00000
-0.07659
-0.08082
35
0.00000
-0.07659
0.08082
36
0.00000
0.14701
-0.08876
37
0.00000
-0.06422
-0.02147
38
0.00000
-0.13806
-0.06504
39
0.00000
-0.13806
0.06504
40
0.00000
-0.06422
0.02147
41
0.00000
-0.01273
-0.03056
42
0.00000
-0.01273
0.03056