Charge: 1
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+1
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.30700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01385
0.01360
2
0.00000
0.01385
-0.01360
3
0.00000
-0.00154
0.00414
4
0.00000
-0.01541
-0.02106
5
0.00000
-0.01541
0.02106
6
0.00000
-0.00154
-0.00414
7
0.00000
-0.02199
-0.01260
8
0.00000
-0.01647
-0.03005
9
0.00000
-0.01647
0.03005
10
0.00000
-0.02199
0.01260
11
0.00000
-0.06698
-0.03541
12
0.00000
0.03657
-0.05791
13
0.00000
0.03657
0.05791
14
0.00000
-0.06698
0.03541
15
0.00000
0.02856
-0.00494
16
0.00000
0.02856
0.00494
17
0.00000
0.06458
0.02838
18
0.00000
-0.00774
0.02431
19
0.00000
-0.00774
-0.02431
20
0.00000
0.06458
-0.02838
21
0.00000
-0.00184
0.06085
22
0.00000
-0.03765
0.05221
23
0.00000
-0.03765
-0.05221
24
0.00000
-0.00184
-0.06085
25
0.00000
-0.02802
-0.03943
26
0.00000
-0.02802
0.03943
27
0.00000
0.05353
-0.07668
28
0.00000
0.05353
0.07668
29
0.00000
0.06460
0.01369
30
0.00000
-0.00924
-0.01837
31
0.00000
-0.00924
0.01837
32
0.00000
0.06460
-0.01369
33
0.00000
-0.00661
0.05851
34
0.00000
-0.01470
0.06674
35
0.00000
-0.01470
-0.06674
36
0.00000
-0.00661
-0.05851
37
0.00000
0.00196
-0.10607
38
0.00000
-0.00313
-0.08143
39
0.00000
-0.00313
0.08143
40
0.00000
0.00196
0.10607
41
0.00000
-0.02629
0.05911
42
0.00000
-0.02629
-0.05911