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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 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
0.00002
0.02294
0.00000
2
0.00002
-0.02294
0.00000
3
-0.02832
0.02696
0.00000
4
-0.02832
-0.02696
0.00000
5
0.02835
0.02697
0.00000
6
0.02835
-0.02697
0.00000
7
-0.04382
0.02339
0.00000
8
-0.04382
-0.02339
0.00000
9
0.04382
0.02339
0.00000
10
0.04382
-0.02339
0.00000
11
-0.03079
0.04532
0.00000
12
-0.03079
-0.04532
0.00000
13
0.03081
0.04533
0.00000
14
0.03081
-0.04533
0.00000
15
0.00001
0.03342
0.00000
16
0.00001
-0.03341
0.00000
17
-0.04272
0.04700
0.00000
18
-0.04272
-0.04700
0.00000
19
0.04272
0.04705
0.00000
20
0.04272
-0.04705
0.00000
21
-0.04667
0.05159
0.00000
22
-0.04667
-0.05159
0.00000
23
0.04664
0.05163
0.00000
24
0.04664
-0.05163
0.00000
25
-0.04359
0.03690
0.00000
26
-0.04359
-0.03690
0.00000
27
0.04356
0.03691
0.00000
28
0.04356
-0.03692
0.00000
29
0.00001
-0.00248
0.00000
30
0.00001
0.00248
0.00000
31
-0.04299
0.03772
0.00000
32
-0.04299
-0.03772
0.00000
33
0.04299
0.03780
0.00000
34
0.04299
-0.03780
0.00000
35
-0.04271
0.05433
0.00000
36
-0.04271
-0.05433
0.00000
37
0.04266
0.05438
0.00000
38
0.04266
-0.05438
0.00000
39
-0.03547
0.03317
0.00000
40
-0.03547
-0.03317
0.00000
41
0.03541
0.03318
0.00000
42
0.03541
-0.03318
0.00000