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)
0.28700
Eigenvectors
#
X
Y
Z
1
0.00000
0.01296
0.00675
2
0.00000
-0.01296
0.00675
3
0.00000
-0.00478
0.01765
4
0.00000
0.00237
-0.00285
5
0.00000
-0.00237
-0.00285
6
0.00000
0.00478
0.01765
7
0.00000
-0.01742
0.00891
8
0.00000
0.01692
-0.00101
9
0.00000
-0.01692
-0.00101
10
0.00000
0.01742
0.00891
11
0.00000
0.02854
-0.05678
12
0.00000
-0.00316
0.03666
13
0.00000
0.00317
0.03666
14
0.00000
-0.02853
-0.05679
15
0.00000
0.01429
-0.00278
16
0.00000
-0.01429
-0.00278
17
0.00000
0.03393
0.03745
18
0.00000
-0.01398
-0.04425
19
0.00000
0.01397
-0.04424
20
0.00000
-0.03393
0.03745
21
0.00000
-0.00869
0.06858
22
0.00000
0.01745
-0.06797
23
0.00000
-0.01745
-0.06796
24
0.00000
0.00869
0.06858
25
0.00000
0.12192
-0.03009
26
0.00000
-0.12192
-0.03009
27
0.00000
0.00997
0.03441
28
0.00000
-0.00997
0.03441
29
0.00000
0.03319
0.03227
30
0.00000
-0.01309
-0.03126
31
0.00000
0.01308
-0.03125
32
0.00000
-0.03319
0.03228
33
0.00000
-0.00900
0.06831
34
0.00000
0.00097
-0.07764
35
0.00000
-0.00097
-0.07764
36
0.00000
0.00900
0.06831
37
0.00000
-0.08066
-0.01981
38
0.00000
-0.02426
0.02514
39
0.00000
0.02427
0.02514
40
0.00000
0.08066
-0.01981
41
0.00000
0.12307
-0.05266
42
0.00000
-0.12307
-0.05266