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)
-0.12000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00311
0.00000
0.00000
2
-0.00311
0.00000
0.00000
3
0.04389
0.07610
0.00000
4
0.04389
-0.07610
0.00000
5
0.04388
-0.07609
0.00000
6
0.04388
0.07609
0.00000
7
-0.03690
0.01824
0.00000
8
-0.03690
-0.01824
0.00000
9
-0.03689
-0.01825
0.00000
10
-0.03689
0.01825
0.00000
11
0.00761
0.01579
0.00000
12
0.00761
-0.01579
0.00000
13
0.00760
-0.01579
0.00000
14
0.00760
0.01579
0.00000
15
-0.03709
0.00000
0.00000
16
-0.03709
0.00000
0.00000
17
-0.00360
-0.00869
0.00000
18
-0.00360
0.00869
0.00000
19
-0.00360
0.00869
0.00000
20
-0.00360
-0.00869
0.00000
21
0.00375
-0.01074
0.00000
22
0.00375
0.01074
0.00000
23
0.00375
0.01073
0.00000
24
0.00375
-0.01073
0.00000
25
-0.00843
-0.01983
0.00000
26
-0.00843
0.01983
0.00000
27
-0.00843
0.01983
0.00000
28
-0.00843
-0.01983
0.00000
29
-0.04039
-0.00002
0.00000
30
-0.04039
0.00002
0.00000
31
-0.00470
0.08435
0.00000
32
-0.00470
-0.08435
0.00000
33
-0.00470
-0.08434
0.00000
34
-0.00470
0.08434
0.00000
35
-0.07604
-0.05808
0.00000
36
-0.07604
0.05808
0.00000
37
-0.07602
0.05807
0.00000
38
-0.07602
-0.05807
0.00000
39
0.26504
-0.16923
0.00000
40
0.26504
0.16923
0.00000
41
0.26502
0.16922
0.00000
42
0.26502
-0.16922
0.00000