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)
-1074.14485
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)
-0.03700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.07232
-0.00014
2
0.00000
-0.07232
0.00015
3
0.00000
-0.00153
0.08292
4
0.00000
0.02991
0.01545
5
0.00000
0.02990
-0.01545
6
0.00000
-0.00153
-0.08292
7
0.00000
0.01990
-0.07941
8
0.00000
-0.01391
0.01739
9
0.00000
-0.01391
-0.01738
10
0.00000
0.01991
0.07942
11
0.00000
0.01288
0.03587
12
0.00000
0.00129
-0.01292
13
0.00000
0.00129
0.01292
14
0.00000
0.01288
-0.03587
15
0.00000
0.05475
-0.00981
16
0.00000
0.05474
0.00981
17
0.00000
0.02495
0.04958
18
0.00000
-0.00503
-0.00303
19
0.00000
-0.00503
0.00302
20
0.00000
0.02495
-0.04958
21
0.00000
-0.05774
-0.03982
22
0.00000
-0.00574
-0.00672
23
0.00000
-0.00574
0.00672
24
0.00000
-0.05774
0.03982
25
0.00000
-0.01144
0.02938
26
0.00000
-0.01144
-0.02938
27
0.00000
0.02220
0.00019
28
0.00000
0.02220
-0.00019
29
0.00000
0.02989
0.04552
30
0.00000
-0.00436
0.10948
31
0.00000
-0.00436
-0.10948
32
0.00000
0.02989
-0.04551
33
0.00000
0.09283
0.04743
34
0.00000
0.04818
0.02410
35
0.00000
0.04817
-0.02410
36
0.00000
0.09282
-0.04743
37
0.00000
-0.12875
-0.08785
38
0.00000
-0.00218
-0.01465
39
0.00000
-0.00218
0.01465
40
0.00000
-0.12875
0.08786
41
0.00000
-0.01364
-0.16986
42
0.00000
-0.01364
0.16986