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)
-0.04600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05137
-0.00001
0.00000
2
0.05137
0.00001
0.00000
3
0.03456
-0.01294
0.00000
4
0.03456
0.01294
0.00000
5
0.03454
0.01293
0.00000
6
0.03454
-0.01293
0.00000
7
-0.00199
-0.00547
0.00000
8
-0.00199
0.00547
0.00000
9
-0.00202
0.00545
0.00000
10
-0.00202
-0.00545
0.00000
11
0.03930
-0.02380
0.00000
12
0.03930
0.02380
0.00000
13
0.03928
0.02377
0.00000
14
0.03928
-0.02377
0.00000
15
0.03832
-0.00001
0.00000
16
0.03832
0.00001
0.00000
17
-0.00991
-0.06716
0.00000
18
-0.00991
0.06716
0.00000
19
-0.00994
0.06713
0.00000
20
-0.00994
-0.06713
0.00000
21
-0.04842
-0.05362
0.00000
22
-0.04843
0.05362
0.00000
23
-0.04845
0.05358
0.00000
24
-0.04846
-0.05358
0.00000
25
-0.04710
-0.02710
0.00000
26
-0.04710
0.02710
0.00000
27
-0.04713
0.02708
0.00000
28
-0.04713
-0.02708
0.00000
29
0.03957
0.00000
0.00000
30
0.03957
0.00000
0.00000
31
-0.00872
-0.11826
0.00000
32
-0.00872
0.11826
0.00000
33
-0.00875
0.11823
0.00000
34
-0.00875
-0.11823
0.00000
35
-0.06792
-0.06538
0.00000
36
-0.06793
0.06538
0.00000
37
-0.06795
0.06535
0.00000
38
-0.06796
-0.06535
0.00000
39
-0.07647
-0.01195
0.00000
40
-0.07648
0.01195
0.00000
41
-0.07649
0.01193
0.00000
42
-0.07650
-0.01192
0.00000