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)
-0.60300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01569
0.00000
0.00000
2
0.01569
0.00000
0.00000
3
-0.00060
0.06986
0.00000
4
-0.00060
-0.06986
0.00000
5
-0.00060
-0.06986
0.00000
6
-0.00060
0.06986
0.00000
7
-0.02942
-0.04180
0.00000
8
-0.02942
0.04180
0.00000
9
-0.02942
0.04180
0.00000
10
-0.02942
-0.04180
0.00000
11
0.01781
-0.04539
0.00000
12
0.01781
0.04539
0.00000
13
0.01781
0.04539
0.00000
14
0.01781
-0.04539
0.00000
15
-0.00452
0.00000
0.00000
16
-0.00452
0.00000
0.00000
17
-0.02116
0.00534
0.00000
18
-0.02116
-0.00534
0.00000
19
-0.02116
-0.00534
0.00000
20
-0.02116
0.00534
0.00000
21
0.01616
0.03348
0.00000
22
0.01616
-0.03348
0.00000
23
0.01616
-0.03348
0.00000
24
0.01616
0.03348
0.00000
25
0.04309
-0.02587
0.00000
26
0.04309
0.02587
0.00000
27
0.04309
0.02587
0.00000
28
0.04309
-0.02587
0.00000
29
-0.00107
0.00000
0.00000
30
-0.00107
0.00000
0.00000
31
-0.02636
-0.01818
0.00000
32
-0.02636
0.01818
0.00000
33
-0.02636
0.01818
0.00000
34
-0.02636
-0.01818
0.00000
35
-0.14321
-0.05178
0.00000
36
-0.14322
0.05178
0.00000
37
-0.14321
0.05178
0.00000
38
-0.14321
-0.05178
0.00000
39
-0.20446
0.10348
0.00000
40
-0.20446
-0.10349
0.00000
41
-0.20445
-0.10348
0.00000
42
-0.20445
0.10348
0.00000