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)
-0.11600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07988
0.00000
0.00000
2
0.07988
0.00000
0.00000
3
-0.04802
0.03789
0.00000
4
-0.04802
-0.03789
0.00000
5
-0.04802
-0.03789
0.00000
6
-0.04802
0.03789
0.00000
7
0.01428
-0.00397
0.00000
8
0.01428
0.00397
0.00000
9
0.01428
0.00397
0.00000
10
0.01428
-0.00397
0.00000
11
-0.06079
0.05123
0.00000
12
-0.06079
-0.05123
0.00000
13
-0.06079
-0.05123
0.00000
14
-0.06079
0.05123
0.00000
15
0.02932
0.00000
0.00000
16
0.02932
0.00000
0.00000
17
0.03739
-0.01172
0.00000
18
0.03739
0.01172
0.00000
19
0.03739
0.01172
0.00000
20
0.03739
-0.01172
0.00000
21
0.00762
0.00562
0.00000
22
0.00762
-0.00562
0.00000
23
0.00762
-0.00562
0.00000
24
0.00762
0.00562
0.00000
25
-0.00320
-0.01452
0.00000
26
-0.00320
0.01452
0.00000
27
-0.00320
0.01452
0.00000
28
-0.00320
-0.01452
0.00000
29
0.02770
0.00000
0.00000
30
0.02770
0.00000
0.00000
31
0.04393
-0.23067
0.00000
32
0.04393
0.23067
0.00000
33
0.04393
0.23067
0.00000
34
0.04393
-0.23067
0.00000
35
-0.05824
-0.03384
0.00000
36
-0.05824
0.03384
0.00000
37
-0.05824
0.03384
0.00000
38
-0.05824
-0.03384
0.00000
39
-0.02188
-0.00465
0.00000
40
-0.02188
0.00465
0.00000
41
-0.02188
0.00465
0.00000
42
-0.02188
-0.00465
0.00000