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)
-0.24700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05360
-0.00116
2
0.00000
-0.05361
0.00115
3
0.00000
-0.02937
-0.00708
4
0.00000
-0.04211
0.01094
5
0.00000
-0.04211
-0.01095
6
0.00000
-0.02937
0.00708
7
0.00000
0.02177
0.01336
8
0.00000
0.01748
0.03691
9
0.00000
0.01748
-0.03691
10
0.00000
0.02176
-0.01336
11
0.00000
0.06412
-0.01635
12
0.00000
0.08641
0.02160
13
0.00000
0.08641
-0.02161
14
0.00000
0.06412
0.01635
15
0.00000
-0.06042
0.01848
16
0.00000
-0.06042
-0.01847
17
0.00000
-0.02754
0.06968
18
0.00000
-0.01232
0.01267
19
0.00000
-0.01232
-0.01266
20
0.00000
-0.02754
-0.06968
21
0.00000
0.00786
0.04882
22
0.00000
0.01779
0.02516
23
0.00000
0.01779
-0.02516
24
0.00000
0.00785
-0.04882
25
0.00000
0.02885
-0.03998
26
0.00000
0.02885
0.03998
27
0.00000
-0.02610
-0.02162
28
0.00000
-0.02610
0.02162
29
0.00000
-0.02846
0.11389
30
0.00000
-0.01291
0.06223
31
0.00000
-0.01291
-0.06222
32
0.00000
-0.02846
-0.11388
33
0.00000
0.02681
0.05996
34
0.00000
0.00563
0.01913
35
0.00000
0.00562
-0.01912
36
0.00000
0.02681
-0.05996
37
0.00000
-0.06096
-0.04272
38
0.00000
0.12596
0.04526
39
0.00000
0.12596
-0.04526
40
0.00000
-0.06096
0.04272
41
0.00000
0.02966
-0.07903
42
0.00000
0.02966
0.07904