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)
0.08900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00504
-0.08907
2
0.00000
-0.00504
0.08907
3
0.00000
-0.05831
-0.04836
4
0.00000
0.08021
0.04046
5
0.00000
0.08021
-0.04046
6
0.00000
-0.05831
0.04836
7
0.00000
-0.00477
-0.01670
8
0.00000
0.02482
0.00318
9
0.00000
0.02482
-0.00318
10
0.00000
-0.00477
0.01670
11
0.00000
-0.02121
-0.00717
12
0.00000
-0.00637
0.02143
13
0.00000
-0.00637
-0.02143
14
0.00000
-0.02121
0.00717
15
0.00000
-0.01831
-0.02662
16
0.00000
-0.01831
0.02662
17
0.00000
0.05963
0.02180
18
0.00000
-0.07957
-0.00887
19
0.00000
-0.07957
0.00887
20
0.00000
0.05963
-0.02180
21
0.00000
0.02737
0.03268
22
0.00000
0.00363
-0.05212
23
0.00000
0.00363
0.05212
24
0.00000
0.02737
-0.03268
25
0.00000
-0.01448
0.00830
26
0.00000
-0.01447
-0.00830
27
0.00000
0.00798
0.00135
28
0.00000
0.00798
-0.00135
29
0.00000
0.05947
0.04485
30
0.00000
-0.07968
0.01910
31
0.00000
-0.07968
-0.01910
32
0.00000
0.05947
-0.04486
33
0.00000
0.02373
0.02855
34
0.00000
0.03535
-0.03307
35
0.00000
0.03535
0.03307
36
0.00000
0.02373
-0.02855
37
0.00000
0.01754
0.00719
38
0.00000
0.01024
0.03081
39
0.00000
0.01024
-0.03081
40
0.00000
0.01753
-0.00719
41
0.00000
-0.01407
0.03720
42
0.00000
-0.01407
-0.03720