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)
-0.41900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00341
-0.06555
2
0.00000
0.00341
0.06555
3
0.00000
0.04620
-0.02026
4
0.00000
-0.03802
0.06403
5
0.00000
-0.03802
-0.06403
6
0.00000
0.04620
0.02026
7
0.00000
0.04122
0.06063
8
0.00000
-0.00590
0.01248
9
0.00000
-0.00590
-0.01248
10
0.00000
0.04122
-0.06063
11
0.00000
0.04349
0.05543
12
0.00000
0.00487
-0.05423
13
0.00000
0.00487
0.05423
14
0.00000
0.04349
-0.05543
15
0.00000
-0.00515
-0.01391
16
0.00000
-0.00515
0.01391
17
0.00000
-0.02695
-0.00819
18
0.00000
0.00348
-0.00595
19
0.00000
0.00348
0.00595
20
0.00000
-0.02695
0.00819
21
0.00000
-0.03148
0.01221
22
0.00000
0.02268
-0.02159
23
0.00000
0.02268
0.02159
24
0.00000
-0.03148
-0.01221
25
0.00000
-0.06650
0.00845
26
0.00000
-0.06650
-0.00845
27
0.00000
0.02746
-0.05927
28
0.00000
0.02746
0.05927
29
0.00000
-0.02875
-0.05859
30
0.00000
0.00469
0.04822
31
0.00000
0.00469
-0.04822
32
0.00000
-0.02875
0.05859
33
0.00000
-0.09716
-0.02631
34
0.00000
0.02009
-0.02224
35
0.00000
0.02009
0.02224
36
0.00000
-0.09716
0.02631
37
0.00000
0.02280
-0.06404
38
0.00000
-0.08203
-0.10451
39
0.00000
-0.08203
0.10451
40
0.00000
0.02280
0.06404
41
0.00000
-0.06367
0.04040
42
0.00000
-0.06367
-0.04040