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)
0.00000
Diff mu Y
(Debye)
-0.49000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00821
0.00000
2
0.00000
-0.00821
0.00000
3
-0.00686
-0.02495
0.00000
4
0.00686
-0.02495
0.00000
5
0.00686
-0.02495
0.00000
6
-0.00686
-0.02495
0.00000
7
-0.05038
0.08086
0.00000
8
0.05038
0.08086
0.00000
9
0.05037
0.08086
0.00000
10
-0.05037
0.08086
0.00000
11
-0.01133
-0.00032
0.00000
12
0.01134
-0.00032
0.00000
13
0.01133
-0.00033
0.00000
14
-0.01133
-0.00033
0.00000
15
0.00000
0.03354
0.00000
16
0.00000
0.03354
0.00000
17
0.00685
0.00436
0.00000
18
-0.00685
0.00436
0.00000
19
-0.00685
0.00436
0.00000
20
0.00685
0.00436
0.00000
21
-0.00211
-0.02010
0.00000
22
0.00211
-0.02010
0.00000
23
0.00211
-0.02010
0.00000
24
-0.00211
-0.02010
0.00000
25
0.00611
-0.02783
0.00000
26
-0.00611
-0.02783
0.00000
27
-0.00611
-0.02783
0.00000
28
0.00611
-0.02783
0.00000
29
0.00000
-0.11682
0.00000
30
0.00000
-0.11682
0.00000
31
0.01018
-0.07618
0.00000
32
-0.01019
-0.07618
0.00000
33
-0.01019
-0.07618
0.00000
34
0.01019
-0.07618
0.00000
35
0.04989
0.00572
0.00000
36
-0.04989
0.00572
0.00000
37
-0.04989
0.00572
0.00000
38
0.04989
0.00572
0.00000
39
0.25617
-0.16497
0.00000
40
-0.25617
-0.16497
0.00000
41
-0.25615
-0.16496
0.00000
42
0.25615
-0.16496
0.00000