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)
-1074.14485
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)
0.00000
Diff mu Z
(Debye)
-0.22000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00096
0.04274
2
0.00000
0.00096
0.04274
3
0.00000
0.03297
-0.00955
4
0.00000
0.01693
0.02770
5
0.00000
-0.01693
0.02770
6
0.00000
-0.03297
-0.00955
7
0.00000
0.05163
-0.02109
8
0.00000
0.01745
-0.04043
9
0.00000
-0.01745
-0.04043
10
0.00000
-0.05163
-0.02108
11
0.00000
0.01868
0.00131
12
0.00000
-0.03401
0.01005
13
0.00000
0.03401
0.01005
14
0.00000
-0.01868
0.00131
15
0.00000
0.00980
-0.00235
16
0.00000
-0.00980
-0.00235
17
0.00000
-0.00718
-0.02490
18
0.00000
0.01971
-0.01368
19
0.00000
-0.01971
-0.01368
20
0.00000
0.00718
-0.02490
21
0.00000
-0.01991
0.04329
22
0.00000
-0.01872
0.02574
23
0.00000
0.01872
0.02574
24
0.00000
0.01991
0.04329
25
0.00000
-0.00177
0.00568
26
0.00000
0.00177
0.00568
27
0.00000
-0.00947
-0.00440
28
0.00000
0.00947
-0.00440
29
0.00000
-0.00794
-0.31784
30
0.00000
0.02085
-0.16718
31
0.00000
-0.02084
-0.16719
32
0.00000
0.00794
-0.31784
33
0.00000
0.07429
0.10359
34
0.00000
0.04404
0.06266
35
0.00000
-0.04405
0.06266
36
0.00000
-0.07430
0.10359
37
0.00000
-0.04144
-0.02293
38
0.00000
-0.35493
-0.17424
39
0.00000
0.35493
-0.17424
40
0.00000
0.04144
-0.02293
41
0.00000
0.00009
0.03822
42
0.00000
-0.00009
0.03822