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)
-2.16200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01016
0.00000
2
0.00000
0.01016
0.00000
3
-0.03572
-0.03444
0.00000
4
0.03572
-0.03444
0.00000
5
0.03572
-0.03444
0.00000
6
-0.03572
-0.03444
0.00000
7
0.03445
0.02359
0.00000
8
-0.03445
0.02360
0.00000
9
-0.03445
0.02359
0.00000
10
0.03445
0.02359
0.00000
11
0.03649
0.04887
0.00000
12
-0.03649
0.04887
0.00000
13
-0.03649
0.04887
0.00000
14
0.03649
0.04887
0.00000
15
0.00000
-0.07838
0.00000
16
0.00000
-0.07838
0.00000
17
-0.02261
-0.01255
0.00000
18
0.02261
-0.01255
0.00000
19
0.02261
-0.01255
0.00000
20
-0.02261
-0.01255
0.00000
21
0.05627
0.01912
0.00000
22
-0.05627
0.01912
0.00000
23
-0.05627
0.01912
0.00000
24
0.05627
0.01912
0.00000
25
-0.04770
-0.00349
0.00000
26
0.04770
-0.00349
0.00000
27
0.04770
-0.00349
0.00000
28
-0.04770
-0.00349
0.00000
29
0.00000
0.13220
0.00000
30
0.00000
0.13220
0.00000
31
-0.02538
0.00435
0.00000
32
0.02538
0.00435
0.00000
33
0.02538
0.00435
0.00000
34
-0.02538
0.00435
0.00000
35
-0.10947
-0.07973
0.00000
36
0.10947
-0.07973
0.00000
37
0.10947
-0.07973
0.00000
38
-0.10947
-0.07973
0.00000
39
0.07784
-0.07397
0.00000
40
-0.07784
-0.07397
0.00000
41
-0.07783
-0.07396
0.00000
42
0.07783
-0.07396
0.00000