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)
-0.12300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03436
0.00000
0.00000
2
0.03436
0.00000
0.00000
3
-0.06467
0.00784
0.00000
4
-0.06467
-0.00784
0.00000
5
-0.06467
-0.00784
0.00000
6
-0.06467
0.00784
0.00000
7
0.03742
-0.02463
0.00000
8
0.03742
0.02463
0.00000
9
0.03742
0.02463
0.00000
10
0.03742
-0.02463
0.00000
11
0.06021
0.00502
0.00000
12
0.06021
-0.00502
0.00000
13
0.06021
-0.00501
0.00000
14
0.06021
0.00501
0.00000
15
-0.02676
0.00000
0.00000
16
-0.02676
0.00000
0.00000
17
-0.02955
-0.02001
0.00000
18
-0.02955
0.02001
0.00000
19
-0.02955
0.02002
0.00000
20
-0.02955
-0.02001
0.00000
21
0.05512
0.02239
0.00000
22
0.05512
-0.02239
0.00000
23
0.05513
-0.02239
0.00000
24
0.05513
0.02239
0.00000
25
-0.05961
0.02402
0.00000
26
-0.05961
-0.02402
0.00000
27
-0.05962
-0.02402
0.00000
28
-0.05962
0.02402
0.00000
29
-0.02649
0.00001
0.00000
30
-0.02649
0.00000
0.00000
31
-0.03269
0.02713
0.00000
32
-0.03269
-0.02713
0.00000
33
-0.03270
-0.02713
0.00000
34
-0.03270
0.02713
0.00000
35
-0.05254
-0.03798
0.00000
36
-0.05254
0.03797
0.00000
37
-0.05254
0.03798
0.00000
38
-0.05254
-0.03798
0.00000
39
0.06607
-0.04064
0.00000
40
0.06607
0.04064
0.00000
41
0.06607
0.04064
0.00000
42
0.06607
-0.04064
0.00000