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)
-0.17900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00002
0.00000
0.00000
2
-0.00002
0.00000
0.00000
3
0.00043
-0.00010
0.00000
4
0.00043
0.00010
0.00000
5
0.00043
0.00010
0.00000
6
0.00043
-0.00010
0.00000
7
0.00013
0.00009
0.00000
8
0.00013
-0.00009
0.00000
9
0.00013
-0.00009
0.00000
10
0.00013
0.00009
0.00000
11
0.00012
0.00037
0.00000
12
0.00012
-0.00037
0.00000
13
0.00012
-0.00037
0.00000
14
0.00012
0.00037
0.00000
15
-0.02687
0.00000
0.00000
16
-0.02687
0.00000
0.00000
17
-0.02455
0.00009
0.00000
18
-0.02456
-0.00009
0.00000
19
-0.02456
-0.00009
0.00000
20
-0.02455
0.00009
0.00000
21
0.01267
-0.02150
0.00000
22
0.01267
0.02151
0.00000
23
0.01267
0.02151
0.00000
24
0.01267
-0.02150
0.00000
25
0.00322
0.00705
0.00000
26
0.00322
-0.00705
0.00000
27
0.00322
-0.00705
0.00000
28
0.00321
0.00705
0.00000
29
0.31053
0.00000
0.00000
30
0.31054
0.00000
0.00000
31
0.28997
0.00315
0.00000
32
0.29002
-0.00315
0.00000
33
0.29000
-0.00315
0.00000
34
0.28997
0.00315
0.00000
35
-0.14671
0.25645
0.00000
36
-0.14673
-0.25648
0.00000
37
-0.14672
-0.25647
0.00000
38
-0.14671
0.25644
0.00000
39
-0.04330
-0.08336
0.00000
40
-0.04331
0.08337
0.00000
41
-0.04330
0.08337
0.00000
42
-0.04330
-0.08336
0.00000