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)
0.05700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.01470
2
0.00000
0.00000
-0.01470
3
0.00000
0.00000
-0.01444
4
0.00000
0.00000
-0.01445
5
0.00000
0.00000
-0.01444
6
0.00000
0.00000
-0.01445
7
0.00000
0.00000
0.03921
8
0.00000
0.00000
0.03921
9
0.00000
0.00000
0.03921
10
0.00000
0.00000
0.03921
11
0.00000
0.00000
-0.05530
12
0.00000
0.00000
-0.05530
13
0.00000
0.00000
-0.05530
14
0.00000
0.00000
-0.05530
15
0.00000
0.00000
-0.09229
16
0.00000
0.00000
-0.09230
17
0.00000
0.00000
-0.03685
18
0.00000
0.00000
-0.03686
19
0.00000
0.00000
-0.03686
20
0.00000
0.00000
-0.03686
21
0.00000
0.00000
0.03874
22
0.00000
0.00000
0.03874
23
0.00000
0.00000
0.03874
24
0.00000
0.00000
0.03874
25
0.00000
0.00000
0.07710
26
0.00000
0.00000
0.07710
27
0.00000
0.00000
0.07710
28
0.00000
0.00000
0.07710
29
0.00000
0.00000
-0.12596
30
0.00000
0.00000
-0.12596
31
0.00000
0.00000
-0.07158
32
0.00000
0.00000
-0.07158
33
0.00000
0.00000
-0.07158
34
0.00000
0.00000
-0.07158
35
0.00000
0.00000
0.06543
36
0.00000
0.00000
0.06544
37
0.00000
0.00000
0.06543
38
0.00000
0.00000
0.06544
39
0.00000
0.00000
0.12922
40
0.00000
0.00000
0.12922
41
0.00000
0.00000
0.12922
42
0.00000
0.00000
0.12922