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)
-0.59100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00008
0.00000
0.00000
2
0.00008
0.00000
0.00000
3
0.00040
0.00001
0.00000
4
0.00040
-0.00001
0.00000
5
0.00040
-0.00001
0.00000
6
0.00040
0.00001
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
0.00020
0.00248
0.00000
12
0.00020
-0.00248
0.00000
13
0.00020
-0.00248
0.00000
14
0.00020
0.00248
0.00000
15
-0.05158
0.00000
0.00000
16
-0.05159
0.00000
0.00000
17
0.01622
0.00029
0.00000
18
0.01622
-0.00029
0.00000
19
0.01622
-0.00029
0.00000
20
0.01622
0.00029
0.00000
21
-0.00520
0.00812
0.00000
22
-0.00520
-0.00813
0.00000
23
-0.00520
-0.00812
0.00000
24
-0.00520
0.00813
0.00000
25
-0.00102
-0.00234
0.00000
26
-0.00102
0.00234
0.00000
27
-0.00102
0.00234
0.00000
28
-0.00102
-0.00234
0.00000
29
0.59498
0.00000
0.00000
30
0.59508
0.00000
0.00000
31
-0.18895
-0.00481
0.00000
32
-0.18898
0.00482
0.00000
33
-0.18895
0.00481
0.00000
34
-0.18898
-0.00482
0.00000
35
0.05885
-0.10308
0.00000
36
0.05886
0.10309
0.00000
37
0.05885
0.10308
0.00000
38
0.05886
-0.10310
0.00000
39
0.01454
0.02751
0.00000
40
0.01454
-0.02751
0.00000
41
0.01454
-0.02751
0.00000
42
0.01454
0.02751
0.00000