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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00568
0.00000
0.00000
2
0.00568
0.00000
0.00000
3
0.01103
0.02301
0.00000
4
-0.01104
0.02301
0.00000
5
0.01103
-0.02301
0.00000
6
-0.01103
-0.02301
0.00000
7
0.02636
-0.03519
0.00000
8
-0.02636
-0.03519
0.00000
9
0.02636
0.03519
0.00000
10
-0.02636
0.03519
0.00000
11
-0.01320
-0.04532
0.00000
12
0.01320
-0.04532
0.00000
13
-0.01320
0.04532
0.00000
14
0.01320
0.04532
0.00000
15
0.01476
0.00000
0.00000
16
-0.01476
0.00000
0.00000
17
0.01822
0.07895
0.00000
18
-0.01822
0.07895
0.00000
19
0.01822
-0.07895
0.00000
20
-0.01822
-0.07895
0.00000
21
-0.02953
-0.05640
0.00000
22
0.02953
-0.05640
0.00000
23
-0.02953
0.05640
0.00000
24
0.02953
0.05640
0.00000
25
-0.02690
0.03858
0.00000
26
0.02689
0.03858
0.00000
27
-0.02690
-0.03858
0.00000
28
0.02690
-0.03858
0.00000
29
0.01756
0.00000
0.00000
30
-0.01756
0.00000
0.00000
31
0.02603
-0.11006
0.00000
32
-0.02603
-0.11006
0.00000
33
0.02603
0.11006
0.00000
34
-0.02603
0.11006
0.00000
35
0.08335
0.00005
0.00000
36
-0.08335
0.00005
0.00000
37
0.08335
-0.00005
0.00000
38
-0.08335
-0.00005
0.00000
39
0.12279
-0.03919
0.00000
40
-0.12279
-0.03919
0.00000
41
0.12279
0.03920
0.00000
42
-0.12279
0.03920
0.00000