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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01229
0.00000
0.00000
2
0.01229
0.00000
0.00000
3
0.00919
-0.00667
0.00000
4
-0.00919
-0.00667
0.00000
5
0.00919
0.00667
0.00000
6
-0.00919
0.00667
0.00000
7
0.05262
-0.05562
0.00000
8
-0.05262
-0.05562
0.00000
9
0.05262
0.05562
0.00000
10
-0.05262
0.05562
0.00000
11
-0.00420
0.06717
0.00000
12
0.00420
0.06717
0.00000
13
-0.00420
-0.06717
0.00000
14
0.00420
-0.06717
0.00000
15
-0.02600
0.00000
0.00000
16
0.02600
0.00000
0.00000
17
0.01393
0.00544
0.00000
18
-0.01393
0.00544
0.00000
19
0.01393
-0.00544
0.00000
20
-0.01393
-0.00544
0.00000
21
0.00773
-0.00505
0.00000
22
-0.00773
-0.00505
0.00000
23
0.00773
0.00505
0.00000
24
-0.00773
0.00505
0.00000
25
-0.00889
0.02383
0.00000
26
0.00889
0.02383
0.00000
27
-0.00889
-0.02383
0.00000
28
0.00889
-0.02383
0.00000
29
-0.03309
0.00000
0.00000
30
0.03309
0.00000
0.00000
31
0.01967
-0.16169
0.00000
32
-0.01967
-0.16169
0.00000
33
0.01967
0.16169
0.00000
34
-0.01967
0.16169
0.00000
35
-0.03277
-0.02909
0.00000
36
0.03277
-0.02909
0.00000
37
-0.03277
0.02909
0.00000
38
0.03277
0.02909
0.00000
39
-0.23535
0.14868
0.00000
40
0.23535
0.14868
0.00000
41
-0.23535
-0.14868
0.00000
42
0.23535
-0.14868
0.00000