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)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 c
(cm-1)
0.00389
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
0.00008
0.00000
0.00000
2
-0.00008
0.00000
0.00000
3
0.00053
-0.00006
0.00000
4
-0.00053
-0.00006
0.00000
5
0.00053
0.00006
0.00000
6
-0.00053
0.00006
0.00000
7
-0.00006
-0.00026
0.00000
8
0.00006
-0.00026
0.00000
9
-0.00006
0.00026
0.00000
10
0.00006
0.00026
0.00000
11
0.00009
0.00062
0.00000
12
-0.00009
0.00062
0.00000
13
0.00009
-0.00062
0.00000
14
-0.00009
-0.00062
0.00000
15
0.01398
0.00000
0.00000
16
-0.01398
0.00000
0.00000
17
0.02883
0.00179
0.00000
18
-0.02883
0.00179
0.00000
19
0.02883
-0.00179
0.00000
20
-0.02883
-0.00179
0.00000
21
0.01264
-0.02440
0.00000
22
-0.01264
-0.02440
0.00000
23
0.01264
0.02440
0.00000
24
-0.01264
0.02440
0.00000
25
0.00379
0.00773
0.00000
26
-0.00379
0.00773
0.00000
27
0.00379
-0.00773
0.00000
28
-0.00379
-0.00773
0.00000
29
-0.16529
0.00000
0.00000
30
0.16529
0.00000
0.00000
31
-0.32638
-0.00625
0.00000
32
0.32638
-0.00625
0.00000
33
-0.32638
0.00625
0.00000
34
0.32638
0.00625
0.00000
35
-0.15227
0.26679
0.00000
36
0.15227
0.26679
0.00000
37
-0.15227
-0.26679
0.00000
38
0.15227
-0.26679
0.00000
39
-0.05224
-0.09883
0.00000
40
0.05224
-0.09883
0.00000
41
-0.05224
0.09883
0.00000
42
0.05224
0.09883
0.00000