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)
-0.60400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.10062
0.00000
0.00001
2
0.10062
0.00000
-0.00001
3
0.04239
0.01068
-0.00001
4
0.04239
-0.01068
0.00001
5
0.04239
-0.01068
-0.00001
6
0.04239
0.01068
0.00001
7
0.05699
0.02688
0.00000
8
0.05699
-0.02688
0.00000
9
0.05699
-0.02688
0.00000
10
0.05699
0.02688
0.00000
11
-0.03319
0.00210
0.00000
12
-0.03319
-0.00210
0.00000
13
-0.03319
-0.00210
0.00000
14
-0.03319
0.00210
0.00000
15
-0.07973
0.00000
0.00000
16
-0.07973
0.00000
0.00000
17
-0.05879
0.01203
0.00000
18
-0.05879
-0.01203
0.00000
19
-0.05879
-0.01203
0.00000
20
-0.05879
0.01203
0.00000
21
-0.01000
-0.00305
0.00000
22
-0.01000
0.00305
0.00000
23
-0.01000
0.00305
0.00000
24
-0.01000
-0.00305
0.00000
25
0.00441
0.02490
0.00000
26
0.00441
-0.02490
0.00000
27
0.00441
-0.02490
0.00000
28
0.00441
0.02490
0.00000
29
-0.08328
0.00000
0.00000
30
-0.08328
0.00000
0.00000
31
-0.06170
0.03875
-0.00002
32
-0.06169
-0.03875
0.00002
33
-0.06170
-0.03875
-0.00002
34
-0.06169
0.03875
0.00002
35
0.00966
0.01008
-0.00002
36
0.00966
-0.01008
0.00002
37
0.00966
-0.01008
-0.00002
38
0.00966
0.01008
0.00002
39
-0.05232
0.05700
-0.00002
40
-0.05232
-0.05700
0.00002
41
-0.05232
-0.05700
-0.00002
42
-0.05232
0.05700
0.00002