Charge: -1
Inchi:1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H/q-1
Electronic States
Energy
(eV)
-1073.90161
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.00793 b
(cm-1)
0.00763 c
(cm-1)
0.00389
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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)
-0.59600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00181
2
0.00000
0.00000
-0.00181
3
0.00000
0.00000
0.00302
4
0.00000
0.00000
0.00302
5
0.00000
0.00000
0.00302
6
0.00000
0.00000
0.00302
7
0.00000
0.00000
0.00870
8
0.00000
0.00000
0.00870
9
0.00000
0.00000
0.00870
10
0.00000
0.00000
0.00870
11
0.00000
0.00000
-0.03647
12
0.00000
0.00000
-0.03647
13
0.00000
0.00000
-0.03647
14
0.00000
0.00000
-0.03647
15
0.00000
0.00000
0.06354
16
0.00000
0.00000
0.06354
17
0.00000
0.00000
0.04532
18
0.00000
0.00000
0.04532
19
0.00000
0.00000
0.04532
20
0.00000
0.00000
0.04532
21
0.00000
0.00000
0.00894
22
0.00000
0.00000
0.00894
23
0.00000
0.00000
0.00894
24
0.00000
0.00000
0.00894
25
0.00000
0.00000
-0.04432
26
0.00000
0.00000
-0.04432
27
0.00000
0.00000
-0.04432
28
0.00000
0.00000
-0.04432
29
0.00000
0.00000
-0.29794
30
0.00000
0.00000
-0.29794
31
0.00000
0.00000
-0.22580
32
0.00000
0.00000
-0.22580
33
0.00000
0.00000
-0.22580
34
0.00000
0.00000
-0.22580
35
0.00000
0.00000
-0.06014
36
0.00000
0.00000
-0.06014
37
0.00000
0.00000
-0.06014
38
0.00000
0.00000
-0.06014
39
0.00000
0.00000
0.24368
40
0.00000
0.00000
0.24368
41
0.00000
0.00000
0.24368
42
0.00000
0.00000
0.24368