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)
-0.36000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05136
-0.02062
2
0.00000
0.05136
-0.02062
3
0.00000
-0.02459
-0.01248
4
0.00000
0.01960
0.05278
5
0.00000
-0.01960
0.05278
6
0.00000
0.02459
-0.01248
7
0.00000
-0.00158
0.03426
8
0.00000
0.01614
-0.07971
9
0.00000
-0.01614
-0.07971
10
0.00000
0.00158
0.03426
11
0.00000
0.00230
-0.01020
12
0.00000
0.02173
0.02256
13
0.00000
-0.02173
0.02256
14
0.00000
-0.00230
-0.01020
15
0.00000
0.11660
-0.00318
16
0.00000
-0.11660
-0.00318
17
0.00000
-0.02366
0.01126
18
0.00000
0.02516
0.00405
19
0.00000
-0.02516
0.00405
20
0.00000
0.02366
0.01126
21
0.00000
-0.01384
-0.02341
22
0.00000
0.00464
0.02409
23
0.00000
-0.00464
0.02409
24
0.00000
0.01384
-0.02341
25
0.00000
-0.00011
-0.00094
26
0.00000
0.00011
-0.00094
27
0.00000
-0.01020
-0.00080
28
0.00000
0.01020
-0.00080
29
0.00000
-0.02295
0.16287
30
0.00000
0.02435
-0.18441
31
0.00000
-0.02435
-0.18441
32
0.00000
0.02295
0.16287
33
0.00000
0.10582
0.05061
34
0.00000
-0.15684
-0.07170
35
0.00000
0.15684
-0.07170
36
0.00000
-0.10582
0.05061
37
0.00000
0.01768
0.01709
38
0.00000
0.06269
0.04708
39
0.00000
-0.06269
0.04708
40
0.00000
-0.01768
0.01709
41
0.00000
-0.00008
0.00629
42
0.00000
0.00008
0.00629