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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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)
-1.05100
Eigenvectors
#
X
Y
Z
1
0.00000
0.01318
-0.04286
2
0.00000
-0.01318
-0.04286
3
0.00000
-0.00371
0.03090
4
0.00000
0.05801
0.03458
5
0.00000
-0.05801
0.03458
6
0.00000
0.00371
0.03090
7
0.00000
-0.03616
-0.04352
8
0.00000
-0.02292
-0.03239
9
0.00000
0.02292
-0.03239
10
0.00000
0.03616
-0.04352
11
0.00000
0.05152
0.01030
12
0.00000
0.01221
0.00770
13
0.00000
-0.01221
0.00770
14
0.00000
-0.05152
0.01030
15
0.00000
0.01013
0.01903
16
0.00000
-0.01013
0.01903
17
0.00000
-0.03394
-0.02664
18
0.00000
-0.01228
-0.03887
19
0.00000
0.01228
-0.03887
20
0.00000
0.03394
-0.02664
21
0.00000
0.07323
0.05066
22
0.00000
0.03362
0.03971
23
0.00000
-0.03362
0.03971
24
0.00000
-0.07323
0.05066
25
0.00000
-0.02118
-0.02730
26
0.00000
0.02118
-0.02730
27
0.00000
0.03101
0.01900
28
0.00000
-0.03101
0.01900
29
0.00000
-0.03919
0.00379
30
0.00000
-0.01635
0.06436
31
0.00000
0.01635
0.06436
32
0.00000
0.03919
0.00379
33
0.00000
-0.23493
-0.13781
34
0.00000
-0.10533
-0.03727
35
0.00000
0.10533
-0.03727
36
0.00000
0.23493
-0.13781
37
0.00000
-0.03125
-0.01779
38
0.00000
-0.00940
-0.00336
39
0.00000
0.00940
-0.00336
40
0.00000
0.03125
-0.01779
41
0.00000
-0.02218
0.12452
42
0.00000
0.02218
0.12452