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)
0.29800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03267
-0.00140
2
0.00000
-0.03267
0.00140
3
0.00000
0.00755
-0.03240
4
0.00000
0.02303
-0.05299
5
0.00000
0.02303
0.05299
6
0.00000
0.00755
0.03240
7
0.00000
0.04158
-0.01055
8
0.00000
-0.03294
-0.04254
9
0.00000
-0.03295
0.04254
10
0.00000
0.04158
0.01055
11
0.00000
0.00792
0.00643
12
0.00000
0.00679
0.02736
13
0.00000
0.00679
-0.02736
14
0.00000
0.00792
-0.00643
15
0.00000
-0.01613
-0.05837
16
0.00000
-0.01613
0.05836
17
0.00000
-0.00949
-0.02092
18
0.00000
0.05079
0.02017
19
0.00000
0.05080
-0.02017
20
0.00000
-0.00949
0.02092
21
0.00000
-0.01499
0.04730
22
0.00000
-0.02218
-0.03388
23
0.00000
-0.02218
0.03388
24
0.00000
-0.01499
-0.04729
25
0.00000
0.00815
0.03802
26
0.00000
0.00815
-0.03802
27
0.00000
-0.01259
-0.02615
28
0.00000
-0.01259
0.02616
29
0.00000
-0.01224
-0.16834
30
0.00000
0.05744
0.10575
31
0.00000
0.05744
-0.10577
32
0.00000
-0.01224
0.16831
33
0.00000
0.07052
0.10672
34
0.00000
-0.17782
-0.13038
35
0.00000
-0.17784
0.13040
36
0.00000
0.07051
-0.10670
37
0.00000
-0.13149
-0.09860
38
0.00000
0.12349
0.09827
39
0.00000
0.12350
-0.09827
40
0.00000
-0.13149
0.09860
41
0.00000
0.01279
0.20238
42
0.00000
0.01279
-0.20237