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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 c
(cm-1)
0.00389
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)
-0.13400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00004
0.00000
0.00000
2
0.00004
0.00000
0.00000
3
-0.00023
-0.00030
0.00000
4
-0.00023
0.00030
0.00000
5
-0.00023
0.00030
0.00000
6
-0.00023
-0.00030
0.00000
7
0.00052
-0.00100
0.00000
8
0.00052
0.00100
0.00000
9
0.00052
0.00100
0.00000
10
0.00052
-0.00100
0.00000
11
-0.00023
0.00042
0.00000
12
-0.00023
-0.00042
0.00000
13
-0.00023
-0.00042
0.00000
14
-0.00023
0.00042
0.00000
15
0.00095
0.00000
0.00000
16
0.00095
0.00000
0.00000
17
0.01077
0.00080
0.00000
18
0.01077
-0.00080
0.00000
19
0.01076
-0.00080
0.00000
20
0.01076
0.00080
0.00000
21
0.00850
-0.01761
0.00000
22
0.00850
0.01761
0.00000
23
0.00849
0.01759
0.00000
24
0.00849
-0.01759
0.00000
25
0.01585
0.03136
0.00000
26
0.01585
-0.03136
0.00000
27
0.01584
-0.03134
0.00000
28
0.01584
0.03134
0.00000
29
-0.01061
0.00000
0.00000
30
-0.01061
0.00000
0.00000
31
-0.11918
-0.00225
0.00000
32
-0.11918
0.00225
0.00000
33
-0.11910
0.00225
0.00000
34
-0.11910
-0.00225
0.00000
35
-0.11202
0.19549
0.00000
36
-0.11202
-0.19549
0.00000
37
-0.11193
-0.19535
0.00000
38
-0.11194
0.19535
0.00000
39
-0.18819
-0.35654
0.00000
40
-0.18819
0.35654
0.00000
41
-0.18806
0.35629
0.00000
42
-0.18806
-0.35629
0.00000