Charge: 2
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+2
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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)
-0.89200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00366
-0.03554
2
0.00000
-0.00366
-0.03554
3
0.00000
-0.09692
0.02377
4
0.00000
-0.08574
0.06073
5
0.00000
0.08574
0.06073
6
0.00000
0.09692
0.02377
7
0.00000
0.04408
-0.01016
8
0.00000
0.04621
-0.06319
9
0.00000
-0.04621
-0.06319
10
0.00000
-0.04408
-0.01016
11
0.00000
-0.00009
0.00468
12
0.00000
0.04355
0.01719
13
0.00000
-0.04355
0.01719
14
0.00000
0.00009
0.00468
15
0.00000
0.01804
-0.01284
16
0.00000
-0.01804
-0.01284
17
0.00000
-0.00663
0.02733
18
0.00000
0.00611
0.03839
19
0.00000
-0.00611
0.03839
20
0.00000
0.00663
0.02733
21
0.00000
-0.01060
-0.01573
22
0.00000
-0.01235
-0.00834
23
0.00000
0.01235
-0.00834
24
0.00000
0.01060
-0.01573
25
0.00000
-0.00784
-0.02763
26
0.00000
0.00784
-0.02763
27
0.00000
0.02183
0.01648
28
0.00000
-0.02183
0.01648
29
0.00000
-0.00624
-0.04756
30
0.00000
0.00680
-0.13876
31
0.00000
-0.00680
-0.13876
32
0.00000
0.00624
-0.04756
33
0.00000
-0.03366
-0.02883
34
0.00000
-0.10362
-0.06191
35
0.00000
0.10362
-0.06191
36
0.00000
0.03366
-0.02883
37
0.00000
-0.01467
-0.00419
38
0.00000
0.05466
0.02046
39
0.00000
-0.05466
0.02046
40
0.00000
0.01467
-0.00419
41
0.00000
-0.00731
0.08055
42
0.00000
0.00731
0.08055