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
0.00000
0.00000
-0.00380
2
0.00000
0.00000
0.00380
3
0.00000
0.00000
0.00203
4
0.00000
0.00000
-0.00203
5
0.00000
0.00000
0.00203
6
0.00000
0.00000
-0.00203
7
0.00000
0.00000
-0.00794
8
0.00000
0.00000
0.00794
9
0.00000
0.00000
-0.00794
10
0.00000
0.00000
0.00794
11
0.00000
0.00000
-0.01130
12
0.00000
0.00000
0.01130
13
0.00000
0.00000
-0.01130
14
0.00000
0.00000
0.01130
15
0.00000
0.00000
0.01689
16
0.00000
0.00000
-0.01689
17
0.00000
0.00000
0.04435
18
0.00000
0.00000
-0.04435
19
0.00000
0.00000
0.04435
20
0.00000
0.00000
-0.04435
21
0.00000
0.00000
-0.05736
22
0.00000
0.00000
0.05736
23
0.00000
0.00000
-0.05736
24
0.00000
0.00000
0.05736
25
0.00000
0.00000
0.02548
26
0.00000
0.00000
-0.02548
27
0.00000
0.00000
0.02548
28
0.00000
0.00000
-0.02548
29
0.00000
0.00000
-0.06659
30
0.00000
0.00000
0.06659
31
0.00000
0.00000
-0.23728
32
0.00000
0.00000
0.23728
33
0.00000
0.00000
-0.23728
34
0.00000
0.00000
0.23728
35
0.00000
0.00000
0.31865
36
0.00000
0.00000
-0.31865
37
0.00000
0.00000
0.31866
38
0.00000
0.00000
-0.31865
39
0.00000
0.00000
-0.11649
40
0.00000
0.00000
0.11649
41
0.00000
0.00000
-0.11649
42
0.00000
0.00000
0.11649