Charge: 1
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+1
Electronic States
Energy
(eV)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.56400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00553
-0.01344
2
0.00000
0.00553
0.01344
3
0.00000
0.02253
-0.00442
4
0.00000
-0.00760
0.02329
5
0.00000
-0.00760
-0.02329
6
0.00000
0.02253
0.00442
7
0.00000
-0.01617
0.02290
8
0.00000
0.00382
0.00005
9
0.00000
0.00382
-0.00005
10
0.00000
-0.01617
-0.02290
11
0.00000
-0.01416
-0.02279
12
0.00000
-0.00150
-0.00328
13
0.00000
-0.00150
0.00328
14
0.00000
-0.01416
0.02279
15
0.00000
-0.01651
0.00507
16
0.00000
-0.01651
-0.00507
17
0.00000
0.02585
0.03665
18
0.00000
-0.00871
-0.03623
19
0.00000
-0.00871
0.03623
20
0.00000
0.02585
-0.03665
21
0.00000
-0.01863
-0.04855
22
0.00000
0.01726
0.03437
23
0.00000
0.01726
-0.03437
24
0.00000
-0.01863
0.04855
25
0.00000
0.00392
-0.01466
26
0.00000
0.00392
0.01466
27
0.00000
0.00555
0.01730
28
0.00000
0.00555
-0.01730
29
0.00000
0.02837
0.34352
30
0.00000
-0.00976
-0.21286
31
0.00000
-0.00976
0.21286
32
0.00000
0.02837
-0.34352
33
0.00000
-0.26550
-0.20067
34
0.00000
0.17737
0.12707
35
0.00000
0.17737
-0.12707
36
0.00000
-0.26550
0.20067
37
0.00000
0.08665
0.06619
38
0.00000
-0.03206
-0.02169
39
0.00000
-0.03206
0.02169
40
0.00000
0.08665
-0.06619
41
0.00000
0.00057
-0.15949
42
0.00000
0.00057
0.15949