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)
-0.01200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02144
-0.01788
2
0.00000
0.02144
0.01788
3
0.00000
-0.00428
0.03065
4
0.00000
-0.01018
0.00321
5
0.00000
-0.01018
-0.00321
6
0.00000
-0.00428
-0.03065
7
0.00000
-0.01656
-0.01261
8
0.00000
0.00313
0.00415
9
0.00000
0.00313
-0.00415
10
0.00000
-0.01656
0.01261
11
0.00000
0.01337
-0.01064
12
0.00000
-0.04127
-0.05609
13
0.00000
-0.04127
0.05609
14
0.00000
0.01337
0.01064
15
0.00000
-0.01185
0.02372
16
0.00000
-0.01185
-0.02372
17
0.00000
0.00656
0.04350
18
0.00000
-0.03415
0.03420
19
0.00000
-0.03415
-0.03420
20
0.00000
0.00656
-0.04350
21
0.00000
0.01188
-0.02338
22
0.00000
0.07243
0.02800
23
0.00000
0.07243
-0.02799
24
0.00000
0.01188
0.02338
25
0.00000
-0.00975
0.01089
26
0.00000
-0.00975
-0.01089
27
0.00000
0.01027
0.00815
28
0.00000
0.01028
-0.00815
29
0.00000
0.00884
-0.15799
30
0.00000
-0.03886
-0.23517
31
0.00000
-0.03886
0.23517
32
0.00000
0.00884
0.15800
33
0.00000
-0.05107
-0.06621
34
0.00000
-0.24241
-0.15086
35
0.00000
-0.24241
0.15086
36
0.00000
-0.05107
0.06621
37
0.00000
-0.06550
-0.03502
38
0.00000
0.26991
0.12058
39
0.00000
0.26992
-0.12058
40
0.00000
-0.06550
0.03502
41
0.00000
-0.01237
-0.01249
42
0.00000
-0.01237
0.01249