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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.02400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00237
0.01152
2
0.00000
0.00237
-0.01152
3
0.00000
-0.01469
0.01988
4
0.00000
-0.00600
-0.01843
5
0.00000
-0.00600
0.01843
6
0.00000
-0.01469
-0.01988
7
0.00000
-0.00431
0.02591
8
0.00000
-0.01280
-0.02547
9
0.00000
-0.01280
0.02547
10
0.00000
-0.00431
-0.02591
11
0.00000
0.02559
0.01463
12
0.00000
0.11104
-0.03676
13
0.00000
0.11103
0.03675
14
0.00000
0.02559
-0.01463
15
0.00000
0.01331
-0.02143
16
0.00000
0.01331
0.02143
17
0.00000
0.03118
-0.05219
18
0.00000
-0.07705
-0.04388
19
0.00000
-0.07705
0.04389
20
0.00000
0.03118
0.05219
21
0.00000
-0.00530
-0.03709
22
0.00000
-0.05826
-0.04629
23
0.00000
-0.05826
0.04630
24
0.00000
-0.00531
0.03708
25
0.00000
0.01195
0.00450
26
0.00000
0.01196
-0.00450
27
0.00000
-0.01395
0.01415
28
0.00000
-0.01395
-0.01415
29
0.00000
0.03247
-0.07539
30
0.00000
-0.07842
-0.10619
31
0.00000
-0.07842
0.10620
32
0.00000
0.03248
0.07538
33
0.00000
-0.05617
-0.06927
34
0.00000
-0.06279
-0.04801
35
0.00000
-0.06280
0.04802
36
0.00000
-0.05617
0.06926
37
0.00000
-0.00855
0.01740
38
0.00000
0.12661
-0.02820
39
0.00000
0.12661
0.02819
40
0.00000
-0.00856
-0.01739
41
0.00000
0.01037
-0.03787
42
0.00000
0.01038
0.03787