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)
0.00000
Diff mu Z
(Debye)
0.08500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01675
-0.00244
2
0.00000
0.01675
-0.00244
3
0.00000
-0.01874
-0.01239
4
0.00000
-0.00700
-0.00888
5
0.00000
0.00700
-0.00888
6
0.00000
0.01874
-0.01239
7
0.00000
-0.01569
0.01101
8
0.00000
-0.04240
-0.02227
9
0.00000
0.04240
-0.02227
10
0.00000
0.01570
0.01101
11
0.00000
-0.00481
0.01243
12
0.00000
-0.02838
0.01880
13
0.00000
0.02838
0.01879
14
0.00000
0.00481
0.01243
15
0.00000
-0.00152
0.03987
16
0.00000
0.00153
0.03987
17
0.00000
0.02581
0.01969
18
0.00000
0.04056
0.05752
19
0.00000
-0.04056
0.05752
20
0.00000
-0.02581
0.01969
21
0.00000
-0.00767
-0.04920
22
0.00000
-0.02031
-0.06883
23
0.00000
0.02031
-0.06883
24
0.00000
0.00767
-0.04921
25
0.00000
0.01073
0.00144
26
0.00000
-0.01072
0.00143
27
0.00000
0.01384
-0.00526
28
0.00000
-0.01385
-0.00526
29
0.00000
0.02951
0.13484
30
0.00000
0.04759
0.32580
31
0.00000
-0.04759
0.32580
32
0.00000
-0.02951
0.13487
33
0.00000
-0.12811
-0.12786
34
0.00000
-0.20238
-0.18341
35
0.00000
0.20238
-0.18341
36
0.00000
0.12812
-0.12787
37
0.00000
0.05420
0.01663
38
0.00000
-0.10902
-0.02385
39
0.00000
0.10903
-0.02385
40
0.00000
-0.05422
0.01664
41
0.00000
0.00976
-0.04046
42
0.00000
-0.00976
-0.04048