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)
0.00000
Diff mu Z
(Debye)
1.49800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06133
0.02901
2
0.00000
0.06133
0.02901
3
0.00000
-0.01556
0.02464
4
0.00000
0.03083
-0.06696
5
0.00000
-0.03083
-0.06696
6
0.00000
0.01556
0.02464
7
0.00000
-0.00956
-0.00863
8
0.00000
-0.01540
-0.02248
9
0.00000
0.01540
-0.02248
10
0.00000
0.00956
-0.00863
11
0.00000
-0.00813
-0.00027
12
0.00000
0.01464
0.02237
13
0.00000
-0.01464
0.02237
14
0.00000
0.00813
-0.00027
15
0.00000
-0.00814
0.07884
16
0.00000
0.00814
0.07884
17
0.00000
0.02824
-0.01609
18
0.00000
0.01739
0.01064
19
0.00000
-0.01739
0.01064
20
0.00000
-0.02824
-0.01609
21
0.00000
0.01983
-0.01361
22
0.00000
-0.00789
-0.02012
23
0.00000
0.00789
-0.02012
24
0.00000
-0.01983
-0.01361
25
0.00000
-0.00111
-0.00158
26
0.00000
0.00111
-0.00158
27
0.00000
0.00364
0.00212
28
0.00000
-0.00364
0.00212
29
0.00000
0.03264
-0.33152
30
0.00000
0.02202
0.03223
31
0.00000
-0.02202
0.03223
32
0.00000
-0.03264
-0.33152
33
0.00000
0.08087
0.02224
34
0.00000
-0.15348
-0.10702
35
0.00000
0.15348
-0.10702
36
0.00000
-0.08087
0.02224
37
0.00000
-0.01951
-0.01247
38
0.00000
0.24603
0.15840
39
0.00000
-0.24603
0.15840
40
0.00000
0.01951
-0.01247
41
0.00000
-0.00178
0.02526
42
0.00000
0.00178
0.02526