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
0.00007
0.00000
0.00000
2
-0.00007
0.00000
0.00000
3
-0.00035
-0.00007
0.00000
4
0.00035
-0.00007
0.00000
5
-0.00035
0.00007
0.00000
6
0.00035
0.00007
0.00000
7
0.00016
-0.00007
0.00000
8
-0.00016
-0.00007
0.00000
9
0.00016
0.00007
0.00000
10
-0.00016
0.00007
0.00000
11
-0.00033
0.00102
0.00000
12
0.00033
0.00102
0.00000
13
-0.00033
-0.00102
0.00000
14
0.00033
-0.00102
0.00000
15
0.00541
0.00000
0.00000
16
-0.00541
0.00000
0.00000
17
0.02744
0.00186
0.00000
18
-0.02744
0.00186
0.00000
19
0.02744
-0.00186
0.00000
20
-0.02744
-0.00186
0.00000
21
0.01338
-0.02683
0.00000
22
-0.01338
-0.02683
0.00000
23
0.01338
0.02683
0.00000
24
-0.01338
0.02683
0.00000
25
0.00403
0.01051
0.00000
26
-0.00403
0.01051
0.00000
27
0.00403
-0.01051
0.00000
28
-0.00403
-0.01051
0.00000
29
-0.06209
0.00000
0.00000
30
0.06209
0.00000
0.00000
31
-0.30489
-0.00598
0.00000
32
0.30489
-0.00598
0.00000
33
-0.30488
0.00598
0.00000
34
0.30487
0.00598
0.00000
35
-0.16427
0.29232
0.00000
36
0.16427
0.29232
0.00000
37
-0.16426
-0.29231
0.00000
38
0.16426
-0.29231
0.00000
39
-0.06406
-0.12329
0.00000
40
0.06406
-0.12329
0.00000
41
-0.06406
0.12329
0.00000
42
0.06406
0.12328
0.00000