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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
-0.01400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01277
0.02505
2
0.00000
0.01277
0.02505
3
0.00000
-0.01157
0.04843
4
0.00000
0.01611
-0.02133
5
0.00000
-0.01611
-0.02133
6
0.00000
0.01157
0.04843
7
0.00000
-0.06743
-0.02366
8
0.00000
0.02193
-0.03957
9
0.00000
-0.02193
-0.03957
10
0.00000
0.06743
-0.02366
11
0.00000
-0.05573
-0.05854
12
0.00000
-0.01307
0.02569
13
0.00000
0.01307
0.02569
14
0.00000
0.05573
-0.05854
15
0.00000
-0.03406
0.00152
16
0.00000
0.03406
0.00152
17
0.00000
0.05351
0.00616
18
0.00000
-0.01325
-0.00373
19
0.00000
0.01325
-0.00373
20
0.00000
-0.05351
0.00616
21
0.00000
0.02828
-0.03117
22
0.00000
-0.02336
0.02545
23
0.00000
0.02336
0.02545
24
0.00000
-0.02828
-0.03117
25
0.00000
-0.00233
0.02828
26
0.00000
0.00233
0.02828
27
0.00000
0.04542
-0.00650
28
0.00000
-0.04542
-0.00650
29
0.00000
0.05719
0.14973
30
0.00000
-0.01434
-0.14820
31
0.00000
0.01434
-0.14820
32
0.00000
-0.05719
0.14973
33
0.00000
0.04860
-0.02397
34
0.00000
0.06341
0.07671
35
0.00000
-0.06341
0.07671
36
0.00000
-0.04860
-0.02398
37
0.00000
0.13980
0.04610
38
0.00000
-0.13693
-0.04393
39
0.00000
0.13693
-0.04394
40
0.00000
-0.13979
0.04610
41
0.00000
-0.00356
0.22837
42
0.00000
0.00356
0.22837