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)
0.21300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00021
0.00020
2
0.00000
0.00021
-0.00020
3
0.00000
0.00000
-0.00010
4
0.00000
0.00037
-0.00025
5
0.00000
0.00037
0.00025
6
0.00000
0.00000
0.00010
7
0.00000
0.00014
0.00013
8
0.00000
0.00216
0.00015
9
0.00000
0.00216
-0.00015
10
0.00000
0.00014
-0.00013
11
0.00000
0.00001
-0.00014
12
0.00000
-0.00276
0.00493
13
0.00000
-0.00275
-0.00492
14
0.00000
0.00001
0.00014
15
0.00000
0.00045
0.00108
16
0.00000
0.00045
-0.00108
17
0.00000
-0.00169
0.00017
18
0.00000
-0.02701
-0.00192
19
0.00000
-0.02702
0.00192
20
0.00000
-0.00169
-0.00017
21
0.00000
0.00002
-0.00030
22
0.00000
-0.02631
0.04661
23
0.00000
-0.02632
-0.04663
24
0.00000
0.00002
0.00030
25
0.00000
0.00045
0.00005
26
0.00000
0.00045
-0.00005
27
0.00000
-0.00088
0.00147
28
0.00000
-0.00088
-0.00147
29
0.00000
0.01928
-0.00073
30
0.00000
0.29580
0.00059
31
0.00000
0.29594
-0.00059
32
0.00000
0.01928
0.00073
33
0.00000
-0.00158
0.00224
34
0.00000
0.30422
-0.51730
35
0.00000
0.30436
0.51754
36
0.00000
-0.00157
-0.00222
37
0.00000
0.01008
-0.01711
38
0.00000
0.03085
-0.05590
39
0.00000
0.03077
0.05576
40
0.00000
0.01007
0.01710
41
0.00000
-0.00558
0.00016
42
0.00000
-0.00559
-0.00016