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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00136
0.00000
0.00000
2
0.00136
0.00000
0.00000
3
-0.01168
0.00479
0.00000
4
0.01168
0.00479
0.00000
5
-0.01168
-0.00479
0.00000
6
0.01168
-0.00479
0.00000
7
-0.00322
0.04031
0.00000
8
0.00322
0.04031
0.00000
9
-0.00322
-0.04031
0.00000
10
0.00322
-0.04031
0.00000
11
-0.02404
-0.04511
0.00000
12
0.02404
-0.04511
0.00000
13
-0.02404
0.04511
0.00000
14
0.02404
0.04511
0.00000
15
-0.09932
0.00000
0.00000
16
0.09932
0.00000
0.00000
17
0.04167
-0.04490
0.00000
18
-0.04167
-0.04490
0.00000
19
0.04167
0.04490
0.00000
20
-0.04167
0.04490
0.00000
21
0.02506
-0.03777
0.00000
22
-0.02505
-0.03777
0.00000
23
0.02506
0.03777
0.00000
24
-0.02506
0.03777
0.00000
25
0.01627
0.06053
0.00000
26
-0.01627
0.06053
0.00000
27
0.01627
-0.06053
0.00000
28
-0.01627
-0.06053
0.00000
29
-0.09892
0.00000
0.00000
30
0.09892
0.00000
0.00000
31
0.04148
-0.01214
0.00000
32
-0.04148
-0.01214
0.00000
33
0.04148
0.01214
0.00000
34
-0.04148
0.01214
0.00000
35
-0.04278
-0.07664
0.00000
36
0.04278
-0.07664
0.00000
37
-0.04278
0.07664
0.00000
38
0.04278
0.07664
0.00000
39
-0.01796
0.07832
0.00000
40
0.01796
0.07832
0.00000
41
-0.01796
-0.07832
0.00000
42
0.01796
-0.07832
0.00000