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)
2.21100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00969
0.00990
2
0.00000
-0.00969
0.00990
3
0.00000
0.01468
-0.01677
4
0.00000
0.00945
-0.00278
5
0.00000
-0.00945
-0.00278
6
0.00000
-0.01468
-0.01677
7
0.00000
-0.01420
0.02798
8
0.00000
-0.01083
0.00027
9
0.00000
0.01083
0.00027
10
0.00000
0.01420
0.02798
11
0.00000
0.07769
-0.03488
12
0.00000
0.01394
0.00296
13
0.00000
-0.01394
0.00296
14
0.00000
-0.07769
-0.03488
15
0.00000
-0.01292
-0.01851
16
0.00000
0.01292
-0.01851
17
0.00000
0.01296
0.03146
18
0.00000
-0.00640
0.00615
19
0.00000
0.00640
0.00615
20
0.00000
-0.01296
0.03146
21
0.00000
-0.02440
-0.03150
22
0.00000
0.00746
0.00110
23
0.00000
-0.00746
0.00110
24
0.00000
0.02440
-0.03150
25
0.00000
-0.05661
0.02559
26
0.00000
0.05661
0.02559
27
0.00000
0.13222
0.02538
28
0.00000
-0.13222
0.02538
29
0.00000
0.01480
-0.04668
30
0.00000
-0.00672
-0.00740
31
0.00000
0.00672
-0.00740
32
0.00000
-0.01480
-0.04668
33
0.00000
0.10478
0.04247
34
0.00000
-0.01142
-0.01142
35
0.00000
0.01142
-0.01142
36
0.00000
-0.10478
0.04247
37
0.00000
-0.15579
-0.15227
38
0.00000
-0.01349
-0.01559
39
0.00000
0.01349
-0.01559
40
0.00000
0.15579
-0.15227
41
0.00000
-0.06509
-0.12274
42
0.00000
0.06509
-0.12274