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)
0.15500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.09697
2
0.00000
0.00000
0.09697
3
0.00000
0.00000
0.00053
4
0.00000
0.00000
0.00053
5
0.00000
0.00000
0.00053
6
0.00000
0.00000
0.00053
7
0.00000
0.00000
-0.07390
8
0.00000
0.00000
-0.07390
9
0.00000
0.00000
-0.07390
10
0.00000
0.00000
-0.07390
11
0.00000
0.00000
-0.01491
12
0.00000
0.00000
-0.01491
13
0.00000
0.00000
-0.01491
14
0.00000
0.00000
-0.01491
15
0.00000
0.00000
0.06353
16
0.00000
0.00000
0.06353
17
0.00000
0.00000
-0.05811
18
0.00000
0.00000
-0.05811
19
0.00000
0.00000
-0.05811
20
0.00000
0.00000
-0.05811
21
0.00000
0.00000
0.04631
22
0.00000
0.00000
0.04631
23
0.00000
0.00000
0.04631
24
0.00000
0.00000
0.04631
25
0.00000
0.00000
0.00962
26
0.00000
0.00000
0.00962
27
0.00000
0.00000
0.00962
28
0.00000
0.00000
0.00962
29
0.00000
0.00000
0.12891
30
0.00000
0.00000
0.12891
31
0.00000
0.00000
-0.10172
32
0.00000
0.00000
-0.10172
33
0.00000
0.00000
-0.10172
34
0.00000
0.00000
-0.10172
35
0.00000
0.00000
0.11306
36
0.00000
0.00000
0.11306
37
0.00000
0.00000
0.11306
38
0.00000
0.00000
0.11306
39
0.00000
0.00000
0.04573
40
0.00000
0.00000
0.04573
41
0.00000
0.00000
0.04573
42
0.00000
0.00000
0.04573