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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 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
0.08935
0.00000
0.00000
2
-0.08935
0.00000
0.00000
3
-0.06990
-0.01755
0.00000
4
0.06990
-0.01755
0.00000
5
-0.06990
0.01755
0.00000
6
0.06990
0.01755
0.00000
7
0.05318
0.01727
0.00000
8
-0.05318
0.01727
0.00000
9
0.05317
-0.01727
0.00000
10
-0.05317
-0.01727
0.00000
11
0.03948
0.02725
0.00000
12
-0.03948
0.02725
0.00000
13
0.03948
-0.02725
0.00000
14
-0.03948
-0.02725
0.00000
15
-0.01824
0.00000
0.00000
16
0.01824
0.00000
0.00000
17
-0.01653
-0.03707
0.00000
18
0.01653
-0.03707
0.00000
19
-0.01653
0.03708
0.00000
20
0.01653
0.03708
0.00000
21
0.03894
0.02574
0.00000
22
-0.03894
0.02574
0.00000
23
0.03893
-0.02575
0.00000
24
-0.03893
-0.02575
0.00000
25
-0.03579
-0.00033
0.00000
26
0.03579
-0.00033
0.00000
27
-0.03578
0.00033
0.00000
28
0.03578
0.00033
0.00000
29
-0.02084
-0.00001
0.00000
30
0.02084
-0.00001
0.00000
31
-0.01990
0.06079
0.00000
32
0.01990
0.06079
0.00000
33
-0.01990
-0.06080
0.00000
34
0.01990
-0.06080
0.00000
35
-0.04710
-0.02364
0.00000
36
0.04710
-0.02364
0.00000
37
-0.04709
0.02363
0.00000
38
0.04709
0.02363
0.00000
39
0.04647
-0.04500
0.00000
40
-0.04647
-0.04500
0.00000
41
0.04645
0.04499
0.00000
42
-0.04645
0.04499
0.00000