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)
-1074.10796
Description
S0
Multiplicity
1
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)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
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)
0.17500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01115
0.00000
2
0.00000
0.01115
0.00000
3
-0.04970
-0.01133
0.00000
4
0.04970
-0.01132
0.00000
5
0.04970
-0.01132
0.00000
6
-0.04970
-0.01132
0.00000
7
-0.01146
-0.04235
0.00000
8
0.01146
-0.04235
0.00000
9
0.01146
-0.04235
0.00000
10
-0.01146
-0.04235
0.00000
11
-0.06837
0.02787
0.00000
12
0.06837
0.02787
0.00000
13
0.06837
0.02787
0.00000
14
-0.06837
0.02787
0.00000
15
0.00000
-0.00137
0.00000
16
0.00000
-0.00137
0.00000
17
-0.06991
0.04464
0.00000
18
0.06991
0.04464
0.00000
19
0.06991
0.04465
0.00000
20
-0.06991
0.04465
0.00000
21
-0.01466
0.01518
0.00000
22
0.01466
0.01518
0.00000
23
0.01466
0.01518
0.00000
24
-0.01466
0.01518
0.00000
25
-0.00700
-0.04118
0.00000
26
0.00700
-0.04118
0.00000
27
0.00700
-0.04118
0.00000
28
-0.00700
-0.04118
0.00000
29
0.00000
-0.08712
0.00000
30
0.00000
-0.08712
0.00000
31
-0.07080
0.07463
0.00000
32
0.07080
0.07463
0.00000
33
0.07080
0.07464
0.00000
34
-0.07080
0.07464
0.00000
35
0.03817
0.04581
0.00000
36
-0.03817
0.04581
0.00000
37
-0.03817
0.04581
0.00000
38
0.03817
0.04581
0.00000
39
0.01013
-0.04999
0.00000
40
-0.01013
-0.04999
0.00000
41
-0.01013
-0.04998
0.00000
42
0.01013
-0.04998
0.00000