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
-0.04332
0.00000
0.00000
2
0.04332
0.00000
0.00000
3
-0.03319
-0.07459
0.00000
4
0.03318
-0.07459
0.00000
5
-0.03318
0.07459
0.00000
6
0.03318
0.07459
0.00000
7
0.00267
0.06591
0.00000
8
-0.00267
0.06591
0.00000
9
0.00266
-0.06590
0.00000
10
-0.00266
-0.06590
0.00000
11
0.04386
0.00514
0.00000
12
-0.04386
0.00514
0.00000
13
0.04386
-0.00514
0.00000
14
-0.04386
-0.00514
0.00000
15
-0.01789
0.00000
0.00000
16
0.01789
0.00000
0.00000
17
-0.00396
0.05152
0.00000
18
0.00396
0.05152
0.00000
19
-0.00397
-0.05152
0.00000
20
0.00397
-0.05152
0.00000
21
-0.02642
-0.02821
0.00000
22
0.02641
-0.02820
0.00000
23
-0.02641
0.02821
0.00000
24
0.02641
0.02820
0.00000
25
0.03697
-0.02156
0.00000
26
-0.03697
-0.02156
0.00000
27
0.03697
0.02156
0.00000
28
-0.03696
0.02156
0.00000
29
-0.01930
0.00001
0.00000
30
0.01929
0.00001
0.00000
31
-0.00070
-0.07908
0.00000
32
0.00070
-0.07908
0.00000
33
-0.00070
0.07906
0.00000
34
0.00070
0.07906
0.00000
35
-0.03605
-0.03546
0.00000
36
0.03604
-0.03546
0.00000
37
-0.03604
0.03546
0.00000
38
0.03604
0.03546
0.00000
39
0.01197
-0.00887
0.00000
40
-0.01197
-0.00887
0.00000
41
0.01197
0.00887
0.00000
42
-0.01198
0.00887
0.00000