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)
-0.03000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03359
0.00000
0.00000
2
0.03359
0.00000
0.00000
3
-0.05771
-0.00759
0.00000
4
-0.05771
0.00759
0.00000
5
-0.05771
0.00759
0.00000
6
-0.05771
-0.00759
0.00000
7
-0.00955
0.06271
0.00000
8
-0.00955
-0.06271
0.00000
9
-0.00955
-0.06270
0.00000
10
-0.00955
0.06270
0.00000
11
0.06143
0.00395
0.00000
12
0.06143
-0.00395
0.00000
13
0.06143
-0.00395
0.00000
14
0.06143
0.00395
0.00000
15
-0.03362
0.00000
0.00000
16
-0.03362
0.00000
0.00000
17
0.00332
0.05650
0.00000
18
0.00332
-0.05650
0.00000
19
0.00332
-0.05650
0.00000
20
0.00332
0.05650
0.00000
21
-0.03019
-0.03444
0.00000
22
-0.03019
0.03444
0.00000
23
-0.03019
0.03444
0.00000
24
-0.03019
-0.03444
0.00000
25
0.03632
-0.03756
0.00000
26
0.03632
0.03756
0.00000
27
0.03632
0.03756
0.00000
28
0.03632
-0.03756
0.00000
29
-0.03575
0.00000
0.00000
30
-0.03575
0.00000
0.00000
31
0.00787
-0.04696
0.00000
32
0.00787
0.04697
0.00000
33
0.00787
0.04697
0.00000
34
0.00787
-0.04697
0.00000
35
-0.02997
-0.03758
0.00000
36
-0.02997
0.03759
0.00000
37
-0.02998
0.03759
0.00000
38
-0.02998
-0.03759
0.00000
39
-0.00300
-0.02029
0.00000
40
-0.00300
0.02029
0.00000
41
-0.00301
0.02029
0.00000
42
-0.00300
-0.02029
0.00000