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)
0.78400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00071
0.07434
2
0.00000
0.00071
-0.07434
3
0.00000
-0.01585
-0.03302
4
0.00000
0.01737
0.04928
5
0.00000
0.01737
-0.04928
6
0.00000
-0.01585
0.03302
7
0.00000
0.01254
-0.02803
8
0.00000
-0.01270
0.02595
9
0.00000
-0.01270
-0.02595
10
0.00000
0.01254
0.02803
11
0.00000
-0.00372
0.00376
12
0.00000
0.00695
-0.01356
13
0.00000
0.00695
0.01356
14
0.00000
-0.00372
-0.00376
15
0.00000
-0.00555
-0.00117
16
0.00000
-0.00555
0.00117
17
0.00000
-0.02555
-0.05311
18
0.00000
0.02740
0.05865
19
0.00000
0.02740
-0.05865
20
0.00000
-0.02555
0.05311
21
0.00000
0.04091
0.06614
22
0.00000
-0.03649
-0.06429
23
0.00000
-0.03649
0.06429
24
0.00000
0.04091
-0.06614
25
0.00000
-0.00286
0.00413
26
0.00000
-0.00286
-0.00413
27
0.00000
0.00488
0.00729
28
0.00000
0.00488
-0.00729
29
0.00000
-0.03311
0.10434
30
0.00000
0.03206
-0.14419
31
0.00000
0.03206
0.14419
32
0.00000
-0.03311
-0.10434
33
0.00000
-0.21719
-0.08836
34
0.00000
0.18076
0.05603
35
0.00000
0.18076
-0.05603
36
0.00000
-0.21719
0.08836
37
0.00000
-0.04332
-0.02070
38
0.00000
-0.01277
-0.02343
39
0.00000
-0.01277
0.02343
40
0.00000
-0.04332
0.02070
41
0.00000
-0.00209
-0.00345
42
0.00000
-0.00209
0.00345