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)
-0.01300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00001
0.00003
2
0.00000
-0.00001
0.00003
3
0.00000
0.00004
-0.00003
4
0.00000
-0.00010
0.00054
5
0.00000
0.00010
0.00054
6
0.00000
-0.00004
-0.00003
7
0.00000
-0.00004
0.00002
8
0.00000
0.00064
0.00141
9
0.00000
-0.00064
0.00141
10
0.00000
0.00004
0.00002
11
0.00000
0.00002
0.00000
12
0.00000
0.03286
-0.04785
13
0.00000
-0.03286
-0.04785
14
0.00000
-0.00002
0.00000
15
0.00000
0.00014
0.00036
16
0.00000
-0.00014
0.00036
17
0.00000
-0.00025
0.00001
18
0.00000
0.00681
0.00061
19
0.00000
-0.00682
0.00061
20
0.00000
0.00025
0.00001
21
0.00000
0.00011
-0.00014
22
0.00000
0.00856
-0.01529
23
0.00000
-0.00857
-0.01530
24
0.00000
-0.00011
-0.00014
25
0.00000
-0.00020
-0.00002
26
0.00000
0.00020
-0.00002
27
0.00000
0.00020
-0.00021
28
0.00000
-0.00019
-0.00020
29
0.00000
0.00289
-0.00020
30
0.00000
-0.07531
-0.00054
31
0.00000
0.07534
-0.00054
32
0.00000
-0.00288
-0.00020
33
0.00000
-0.00108
0.00162
34
0.00000
-0.10128
0.16894
35
0.00000
0.10131
0.16898
36
0.00000
0.00108
0.00162
37
0.00000
-0.00163
0.00273
38
0.00000
-0.32613
0.54852
39
0.00000
0.32614
0.54853
40
0.00000
0.00161
0.00270
41
0.00000
0.00225
-0.00006
42
0.00000
-0.00224
-0.00006