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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.23600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00015
-0.00004
2
0.00000
0.00015
0.00004
3
0.00000
-0.00001
0.00002
4
0.00000
0.00012
0.00000
5
0.00000
0.00012
0.00000
6
0.00000
-0.00001
-0.00002
7
0.00000
-0.00001
0.00002
8
0.00000
-0.00151
-0.00084
9
0.00000
-0.00151
0.00084
10
0.00000
-0.00001
-0.00002
11
0.00000
0.00000
0.00001
12
0.00000
-0.01946
0.03515
13
0.00000
-0.01946
-0.03515
14
0.00000
0.00000
-0.00001
15
0.00000
-0.00012
0.00085
16
0.00000
-0.00012
-0.00085
17
0.00000
0.00640
0.00011
18
0.00000
-0.02680
0.00061
19
0.00000
-0.02680
-0.00061
20
0.00000
0.00640
-0.00011
21
0.00000
-0.00077
0.00075
22
0.00000
0.01507
-0.02583
23
0.00000
0.01507
0.02582
24
0.00000
-0.00077
-0.00075
25
0.00000
0.00035
0.00000
26
0.00000
0.00035
0.00000
27
0.00000
-0.00010
0.00015
28
0.00000
-0.00010
-0.00015
29
0.00000
-0.07316
-0.00139
30
0.00000
0.31929
0.00074
31
0.00000
0.31927
-0.00074
32
0.00000
-0.07314
0.00139
33
0.00000
0.00782
-0.01266
34
0.00000
-0.17244
0.30687
35
0.00000
-0.17243
-0.30686
36
0.00000
0.00781
0.01264
37
0.00000
0.00113
-0.00191
38
0.00000
0.23903
-0.41058
39
0.00000
0.23903
0.41058
40
0.00000
0.00113
0.00192
41
0.00000
-0.00399
0.00009
42
0.00000
-0.00398
-0.00009