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
0.04946
0.00000
0.00000
2
-0.04946
0.00000
0.00000
3
0.08506
0.01560
0.00000
4
-0.08506
0.01560
0.00000
5
0.08507
-0.01560
0.00000
6
-0.08507
-0.01560
0.00000
7
0.04132
0.03405
0.00000
8
-0.04132
0.03405
0.00000
9
0.04133
-0.03405
0.00000
10
-0.04133
-0.03405
0.00000
11
0.01274
-0.00142
0.00000
12
-0.01274
-0.00142
0.00000
13
0.01274
0.00143
0.00000
14
-0.01274
0.00143
0.00000
15
-0.09074
0.00000
0.00000
16
0.09074
0.00000
0.00000
17
-0.01986
0.01823
0.00000
18
0.01986
0.01823
0.00000
19
-0.01986
-0.01823
0.00000
20
0.01986
-0.01823
0.00000
21
0.01212
-0.00217
0.00000
22
-0.01212
-0.00217
0.00000
23
0.01212
0.00217
0.00000
24
-0.01212
0.00217
0.00000
25
-0.01832
-0.03981
0.00000
26
0.01832
-0.03981
0.00000
27
-0.01832
0.03982
0.00000
28
0.01832
0.03982
0.00000
29
-0.09498
0.00001
0.00000
30
0.09498
0.00001
0.00000
31
-0.02116
0.03777
0.00000
32
0.02116
0.03777
0.00000
33
-0.02117
-0.03777
0.00000
34
0.02117
-0.03777
0.00000
35
0.11618
0.05611
0.00000
36
-0.11618
0.05611
0.00000
37
0.11620
-0.05613
0.00000
38
-0.11620
-0.05613
0.00000
39
-0.04869
-0.02425
0.00000
40
0.04869
-0.02425
0.00000
41
-0.04870
0.02426
0.00000
42
0.04870
0.02426
0.00000