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)
1.15300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02336
-0.05615
2
0.00000
-0.02336
0.05615
3
0.00000
0.02055
0.00202
4
0.00000
0.00790
-0.08679
5
0.00000
0.00790
0.08679
6
0.00000
0.02054
-0.00202
7
0.00000
-0.03033
0.02637
8
0.00000
-0.04112
0.05018
9
0.00000
-0.04112
-0.05018
10
0.00000
-0.03033
-0.02637
11
0.00000
0.01159
-0.01512
12
0.00000
0.01093
-0.00425
13
0.00000
0.01093
0.00425
14
0.00000
0.01159
0.01512
15
0.00000
0.04028
0.00551
16
0.00000
0.04028
-0.00551
17
0.00000
-0.00424
0.08580
18
0.00000
-0.00549
0.06885
19
0.00000
-0.00549
-0.06885
20
0.00000
-0.00424
-0.08580
21
0.00000
0.00380
-0.04826
22
0.00000
0.01622
-0.03926
23
0.00000
0.01622
0.03926
24
0.00000
0.00380
0.04826
25
0.00000
-0.00910
-0.00655
26
0.00000
-0.00910
0.00655
27
0.00000
0.01005
0.01549
28
0.00000
0.01005
-0.01549
29
0.00000
-0.00198
-0.15396
30
0.00000
-0.00623
-0.15396
31
0.00000
-0.00623
0.15397
32
0.00000
-0.00198
0.15397
33
0.00000
0.00010
-0.05670
34
0.00000
0.03540
-0.03474
35
0.00000
0.03540
0.03474
36
0.00000
0.00010
0.05670
37
0.00000
-0.05484
-0.02116
38
0.00000
-0.05252
-0.04125
39
0.00000
-0.05252
0.04125
40
0.00000
-0.05484
0.02117
41
0.00000
-0.01141
0.02861
42
0.00000
-0.01141
-0.02861