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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00090
0.00000
0.00000
2
-0.00090
0.00000
0.00000
3
-0.00236
0.00000
0.00000
4
0.00012
0.00000
0.00000
5
-0.00012
0.00000
0.00000
6
0.00236
0.00000
0.00000
7
0.00224
0.00000
0.00000
8
0.00089
0.00000
0.00000
9
-0.00089
0.00000
0.00000
10
-0.00224
0.00000
0.00000
11
-0.00184
0.00000
0.00000
12
-0.00217
0.00000
0.00000
13
0.00217
0.00000
0.00000
14
0.00184
0.00000
0.00000
15
0.00198
0.00000
0.00000
16
-0.00198
0.00000
0.00000
17
-0.01048
0.00000
0.00000
18
0.00437
0.00000
0.00000
19
-0.00437
0.00000
0.00000
20
0.01048
0.00000
0.00000
21
0.01033
0.00000
0.00000
22
-0.00339
0.00000
0.00000
23
0.00339
0.00000
0.00000
24
-0.01033
0.00000
0.00000
25
0.04760
0.00000
0.00000
26
-0.04760
0.00000
0.00000
27
-0.10038
0.00000
0.00000
28
0.10038
0.00000
0.00000
29
0.06095
0.00000
0.00000
30
-0.02101
0.00000
0.00000
31
0.02101
0.00000
0.00000
32
-0.06095
0.00000
0.00000
33
-0.07173
0.00000
0.00000
34
0.01650
0.00000
0.00000
35
-0.01650
0.00000
0.00000
36
0.07173
0.00000
0.00000
37
0.52678
0.00000
0.00000
38
0.01096
0.00000
0.00000
39
-0.01096
0.00000
0.00000
40
-0.52678
0.00000
0.00000
41
-0.24236
0.00000
0.00000
42
0.24236
0.00000
0.00000