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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07307
0.00000
0.00000
2
-0.07308
0.00000
0.00000
3
0.00619
0.00359
0.00000
4
-0.00619
0.00359
0.00000
5
0.00619
-0.00359
0.00000
6
-0.00619
-0.00359
0.00000
7
-0.09320
-0.00149
0.00000
8
0.09320
-0.00149
0.00000
9
-0.09320
0.00149
0.00000
10
0.09320
0.00149
0.00000
11
0.00932
0.06187
0.00000
12
-0.00932
0.06187
0.00000
13
0.00932
-0.06187
0.00000
14
-0.00932
-0.06187
0.00000
15
-0.02983
0.00000
0.00000
16
0.02983
0.00000
0.00000
17
0.00253
0.01335
0.00000
18
-0.00253
0.01335
0.00000
19
0.00253
-0.01335
0.00000
20
-0.00253
-0.01335
0.00000
21
0.02363
-0.02971
0.00000
22
-0.02363
-0.02971
0.00000
23
0.02363
0.02971
0.00000
24
-0.02363
0.02971
0.00000
25
-0.01356
0.00950
0.00000
26
0.01356
0.00950
0.00000
27
-0.01356
-0.00950
0.00000
28
0.01356
-0.00950
0.00000
29
-0.03785
0.00000
0.00000
30
0.03785
0.00000
0.00000
31
0.00841
-0.15314
0.00000
32
-0.00841
-0.15315
0.00000
33
0.00841
0.15315
0.00000
34
-0.00841
0.15315
0.00000
35
0.02213
-0.03684
0.00000
36
-0.02213
-0.03684
0.00000
37
0.02213
0.03684
0.00000
38
-0.02213
0.03684
0.00000
39
0.09463
-0.05137
0.00000
40
-0.09463
-0.05137
0.00000
41
0.09463
0.05137
0.00000
42
-0.09463
0.05137
0.00000