Charge: 1
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+1
Electronic States
Energy
(eV)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
-1.64700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00001
-0.00004
2
0.00000
0.00001
-0.00004
3
0.00000
-0.00008
0.00021
4
0.00000
-0.00001
-0.00008
5
0.00000
0.00001
-0.00008
6
0.00000
0.00008
0.00021
7
0.00000
-0.00050
0.00014
8
0.00000
-0.00049
-0.00011
9
0.00000
0.00049
-0.00011
10
0.00000
0.00050
0.00014
11
0.00000
0.00022
-0.00072
12
0.00000
0.00362
-0.00517
13
0.00000
-0.00362
-0.00517
14
0.00000
-0.00022
-0.00072
15
0.00000
-0.00004
0.00126
16
0.00000
0.00004
0.00126
17
0.00000
0.00452
0.00027
18
0.00000
0.02389
0.00083
19
0.00000
-0.02389
0.00083
20
0.00000
-0.00452
0.00027
21
0.00000
0.00699
-0.01202
22
0.00000
0.00863
-0.01716
23
0.00000
-0.00863
-0.01716
24
0.00000
-0.00699
-0.01202
25
0.00000
-0.02397
0.00160
26
0.00000
0.02397
0.00160
27
0.00000
0.02208
-0.03419
28
0.00000
-0.02208
-0.03419
29
0.00000
-0.04680
-0.00128
30
0.00000
-0.27220
-0.00127
31
0.00000
0.27220
-0.00127
32
0.00000
0.04680
-0.00128
33
0.00000
-0.08220
0.13394
34
0.00000
-0.10695
0.18821
35
0.00000
0.10695
0.18821
36
0.00000
0.08220
0.13394
37
0.00000
-0.23998
0.40111
38
0.00000
-0.03561
0.06177
39
0.00000
0.03561
0.06177
40
0.00000
0.23998
0.40111
41
0.00000
0.28952
-0.00661
42
0.00000
-0.28952
-0.00661