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)
-0.58300
Eigenvectors
#
X
Y
Z
1
0.00000
0.06116
0.02775
2
0.00000
-0.06116
0.02775
3
0.00000
0.01624
-0.06071
4
0.00000
0.01216
0.03937
5
0.00000
-0.01216
0.03938
6
0.00000
-0.01624
-0.06070
7
0.00000
-0.04831
0.05253
8
0.00000
0.05353
-0.06932
9
0.00000
-0.05353
-0.06932
10
0.00000
0.04831
0.05253
11
0.00000
0.00450
-0.02583
12
0.00000
0.02133
0.01839
13
0.00000
-0.02133
0.01839
14
0.00000
-0.00450
-0.02583
15
0.00000
-0.05412
-0.01513
16
0.00000
0.05412
-0.01513
17
0.00000
-0.00396
-0.05226
18
0.00000
0.00166
0.04071
19
0.00000
-0.00166
0.04071
20
0.00000
0.00397
-0.05226
21
0.00000
0.03666
0.02741
22
0.00000
-0.04593
-0.00606
23
0.00000
0.04594
-0.00606
24
0.00000
-0.03665
0.02741
25
0.00000
-0.00261
0.01044
26
0.00000
0.00261
0.01044
27
0.00000
-0.02456
-0.00361
28
0.00000
0.02456
-0.00361
29
0.00000
-0.00673
0.02623
30
0.00000
0.00195
0.03543
31
0.00000
-0.00195
0.03542
32
0.00000
0.00673
0.02624
33
0.00000
0.09687
0.06545
34
0.00000
-0.10975
-0.04228
35
0.00000
0.10973
-0.04228
36
0.00000
-0.09685
0.06545
37
0.00000
0.03962
0.03677
38
0.00000
0.13081
0.08157
39
0.00000
-0.13081
0.08158
40
0.00000
-0.03961
0.03677
41
0.00000
-0.00370
-0.00906
42
0.00000
0.00370
-0.00904