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)
0.63400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01607
0.01428
2
0.00000
-0.01608
-0.01427
3
0.00000
0.04591
0.00772
4
0.00000
0.02741
0.03201
5
0.00000
0.02741
-0.03201
6
0.00000
0.04590
-0.00774
7
0.00000
-0.10729
-0.00929
8
0.00000
-0.02813
0.00971
9
0.00000
-0.02813
-0.00972
10
0.00000
-0.10728
0.00930
11
0.00000
0.04851
0.02713
12
0.00000
-0.00259
-0.02232
13
0.00000
-0.00259
0.02233
14
0.00000
0.04852
-0.02713
15
0.00000
-0.07589
0.00554
16
0.00000
-0.07588
-0.00554
17
0.00000
0.04285
-0.03422
18
0.00000
0.02772
-0.01592
19
0.00000
0.02772
0.01591
20
0.00000
0.04285
0.03421
21
0.00000
0.00885
-0.00346
22
0.00000
0.00215
0.00067
23
0.00000
0.00216
-0.00067
24
0.00000
0.00884
0.00347
25
0.00000
-0.01643
-0.00117
26
0.00000
-0.01643
0.00117
27
0.00000
-0.00241
-0.01556
28
0.00000
-0.00242
0.01557
29
0.00000
0.04644
-0.01467
30
0.00000
0.02981
-0.10403
31
0.00000
0.02981
0.10407
32
0.00000
0.04644
0.01467
33
0.00000
0.26225
0.14503
34
0.00000
0.11142
0.06000
35
0.00000
0.11143
-0.06000
36
0.00000
0.26225
-0.14503
37
0.00000
0.04500
0.01200
38
0.00000
0.06192
0.01570
39
0.00000
0.06191
-0.01569
40
0.00000
0.04500
-0.01200
41
0.00000
-0.01613
0.04007
42
0.00000
-0.01613
-0.04008