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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00156
0.00000
0.00000
2
0.00156
0.00000
0.00000
3
0.00301
0.00000
0.00000
4
-0.00038
0.00000
0.00000
5
0.00038
0.00000
0.00000
6
-0.00301
0.00000
0.00000
7
-0.00444
0.00000
0.00000
8
0.02206
0.00000
0.00000
9
-0.02206
0.00000
0.00000
10
0.00444
0.00000
0.00000
11
0.00309
0.00000
0.00000
12
-0.06591
0.00000
0.00000
13
0.06591
0.00000
0.00000
14
-0.00309
0.00000
0.00000
15
0.01409
0.00000
0.00000
16
-0.01409
0.00000
0.00000
17
-0.02311
0.00000
0.00000
18
0.05565
0.00000
0.00000
19
-0.05565
0.00000
0.00000
20
0.02311
0.00000
0.00000
21
0.01536
0.00000
0.00000
22
-0.06140
0.00000
0.00000
23
0.06140
0.00000
0.00000
24
-0.01536
0.00000
0.00000
25
-0.00647
0.00000
0.00000
26
0.00647
0.00000
0.00000
27
0.01199
0.00000
0.00000
28
-0.01199
0.00000
0.00000
29
0.11270
0.00000
0.00000
30
-0.30151
0.00000
0.00000
31
0.30151
0.00000
0.00000
32
-0.11270
0.00000
0.00000
33
-0.07225
0.00000
0.00000
34
0.32718
0.00000
0.00000
35
-0.32718
0.00000
0.00000
36
0.07224
0.00000
0.00000
37
-0.06347
0.00000
0.00000
38
0.34911
0.00000
0.00000
39
-0.34911
0.00000
0.00000
40
0.06347
0.00000
0.00000
41
0.02886
0.00000
0.00000
42
-0.02886
0.00000
0.00000