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
0.06035
0.00000
0.00000
2
-0.06035
0.00000
0.00000
3
-0.00898
-0.01082
0.00000
4
0.00898
-0.01082
0.00000
5
-0.00898
0.01082
0.00000
6
0.00898
0.01082
0.00000
7
0.03350
-0.00013
0.00000
8
-0.03350
-0.00013
0.00000
9
0.03350
0.00013
0.00000
10
-0.03350
0.00013
0.00000
11
-0.02874
0.03357
0.00000
12
0.02874
0.03356
0.00000
13
-0.02874
-0.03357
0.00000
14
0.02874
-0.03356
0.00000
15
0.00763
0.00000
0.00000
16
-0.00763
0.00000
0.00000
17
0.03775
-0.01103
0.00000
18
-0.03775
-0.01103
0.00000
19
0.03775
0.01103
0.00000
20
-0.03775
0.01103
0.00000
21
-0.07504
-0.03815
0.00000
22
0.07504
-0.03815
0.00000
23
-0.07504
0.03815
0.00000
24
0.07504
0.03815
0.00000
25
0.01957
0.02150
0.00000
26
-0.01957
0.02150
0.00000
27
0.01957
-0.02150
0.00000
28
-0.01957
-0.02150
0.00000
29
0.00664
0.00000
0.00000
30
-0.00664
0.00000
0.00000
31
0.04398
0.07454
0.00000
32
-0.04398
0.07454
0.00000
33
0.04398
-0.07454
0.00000
34
-0.04398
-0.07454
0.00000
35
0.19637
0.12022
0.00000
36
-0.19637
0.12022
0.00000
37
0.19637
-0.12022
0.00000
38
-0.19637
-0.12022
0.00000
39
0.11448
-0.02408
0.00000
40
-0.11448
-0.02408
0.00000
41
0.11448
0.02408
0.00000
42
-0.11448
0.02408
0.00000