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)
0.79300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00529
0.00000
2
0.00000
-0.00529
0.00000
3
-0.03198
-0.03077
0.00000
4
0.03197
-0.03077
0.00000
5
0.03198
-0.03077
0.00000
6
-0.03198
-0.03077
0.00000
7
0.07888
0.05074
0.00000
8
-0.07887
0.05074
0.00000
9
-0.07888
0.05074
0.00000
10
0.07888
0.05074
0.00000
11
-0.02911
-0.01744
0.00000
12
0.02911
-0.01744
0.00000
13
0.02911
-0.01744
0.00000
14
-0.02911
-0.01744
0.00000
15
0.00000
0.00815
0.00000
16
0.00000
0.00815
0.00000
17
0.01699
0.02754
0.00000
18
-0.01699
0.02754
0.00000
19
-0.01699
0.02755
0.00000
20
0.01699
0.02755
0.00000
21
-0.03192
0.00311
0.00000
22
0.03192
0.00311
0.00000
23
0.03192
0.00311
0.00000
24
-0.03192
0.00311
0.00000
25
0.04331
-0.03216
0.00000
26
-0.04331
-0.03216
0.00000
27
-0.04331
-0.03216
0.00000
28
0.04331
-0.03216
0.00000
29
0.00000
0.14773
0.00000
30
0.00000
0.14773
0.00000
31
0.02013
-0.13136
0.00000
32
-0.02013
-0.13136
0.00000
33
-0.02014
-0.13137
0.00000
34
0.02013
-0.13137
0.00000
35
-0.07164
-0.01777
0.00000
36
0.07164
-0.01777
0.00000
37
0.07165
-0.01777
0.00000
38
-0.07165
-0.01777
0.00000
39
-0.10047
0.04602
0.00000
40
0.10047
0.04602
0.00000
41
0.10047
0.04602
0.00000
42
-0.10047
0.04602
0.00000