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)
1.04700
Eigenvectors
#
X
Y
Z
1
0.00000
0.01191
-0.00685
2
0.00000
-0.01192
-0.00685
3
0.00000
0.00686
-0.01590
4
0.00000
0.00866
0.01338
5
0.00000
-0.00866
0.01338
6
0.00000
-0.00686
-0.01590
7
0.00000
-0.02059
0.01915
8
0.00000
0.04619
0.00225
9
0.00000
-0.04619
0.00225
10
0.00000
0.02059
0.01915
11
0.00000
0.05868
0.01409
12
0.00000
0.04211
0.00042
13
0.00000
-0.04210
0.00041
14
0.00000
-0.05868
0.01409
15
0.00000
0.00410
0.02865
16
0.00000
-0.00409
0.02865
17
0.00000
0.01695
0.05940
18
0.00000
0.02062
-0.07151
19
0.00000
-0.02062
-0.07151
20
0.00000
-0.01695
0.05940
21
0.00000
-0.02203
-0.05378
22
0.00000
-0.06500
0.00336
23
0.00000
0.06500
0.00336
24
0.00000
0.02203
-0.05378
25
0.00000
-0.00842
-0.04110
26
0.00000
0.00841
-0.04110
27
0.00000
-0.01154
0.01208
28
0.00000
0.01154
0.01207
29
0.00000
0.02183
-0.11948
30
0.00000
0.02597
0.23561
31
0.00000
-0.02597
0.23560
32
0.00000
-0.02183
-0.11949
33
0.00000
0.06276
-0.00569
34
0.00000
0.13803
0.13075
35
0.00000
-0.13802
0.13075
36
0.00000
-0.06275
-0.00569
37
0.00000
0.03222
0.04291
38
0.00000
-0.01610
-0.04030
39
0.00000
0.01610
-0.04030
40
0.00000
-0.03223
0.04291
41
0.00000
-0.00458
0.18917
42
0.00000
0.00458
0.18917