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)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 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)
1.42600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02574
0.00000
2
0.00000
-0.02574
0.00000
3
-0.02181
0.02885
0.00000
4
0.02181
0.02885
0.00000
5
0.02181
0.02885
0.00000
6
-0.02181
0.02885
0.00000
7
0.04583
-0.02485
0.00000
8
-0.04583
-0.02485
0.00000
9
-0.04583
-0.02485
0.00000
10
0.04583
-0.02485
0.00000
11
0.00908
-0.05629
0.00000
12
-0.00908
-0.05629
0.00000
13
-0.00908
-0.05629
0.00000
14
0.00908
-0.05629
0.00000
15
0.00000
0.05339
0.00000
16
0.00000
0.05339
0.00000
17
-0.00139
0.05645
0.00000
18
0.00139
0.05645
0.00000
19
0.00139
0.05645
0.00000
20
-0.00139
0.05645
0.00000
21
0.00888
-0.03193
0.00000
22
-0.00888
-0.03193
0.00000
23
-0.00888
-0.03193
0.00000
24
0.00888
-0.03193
0.00000
25
-0.05086
0.03473
0.00000
26
0.05086
0.03473
0.00000
27
0.05086
0.03473
0.00000
28
-0.05086
0.03473
0.00000
29
0.00000
-0.10729
0.00000
30
0.00000
-0.10729
0.00000
31
0.00132
-0.10060
0.00000
32
-0.00132
-0.10060
0.00000
33
-0.00132
-0.10060
0.00000
34
0.00132
-0.10060
0.00000
35
0.03678
-0.02322
0.00000
36
-0.03678
-0.02322
0.00000
37
-0.03678
-0.02322
0.00000
38
0.03678
-0.02322
0.00000
39
0.14710
-0.06992
0.00000
40
-0.14710
-0.06992
0.00000
41
-0.14710
-0.06992
0.00000
42
0.14710
-0.06992
0.00000