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)
-0.52500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02825
0.06742
2
0.00000
0.02825
0.06742
3
0.00000
0.05827
-0.05330
4
0.00000
0.06504
-0.06121
5
0.00000
-0.06504
-0.06121
6
0.00000
-0.05827
-0.05330
7
0.00000
-0.04535
0.03677
8
0.00000
-0.04491
0.03736
9
0.00000
0.04491
0.03736
10
0.00000
0.04535
0.03677
11
0.00000
0.00540
-0.01390
12
0.00000
-0.01569
-0.00772
13
0.00000
0.01569
-0.00772
14
0.00000
-0.00540
-0.01390
15
0.00000
0.04090
0.01029
16
0.00000
-0.04090
0.01029
17
0.00000
-0.00883
-0.03619
18
0.00000
0.00288
-0.06365
19
0.00000
-0.00288
-0.06365
20
0.00000
0.00883
-0.03619
21
0.00000
0.01703
0.01784
22
0.00000
0.02804
0.03774
23
0.00000
-0.02804
0.03774
24
0.00000
-0.01703
0.01784
25
0.00000
0.00080
0.01518
26
0.00000
-0.00080
0.01518
27
0.00000
-0.02028
-0.00943
28
0.00000
0.02028
-0.00943
29
0.00000
-0.00917
0.15639
30
0.00000
0.00083
0.09235
31
0.00000
-0.00083
0.09235
32
0.00000
0.00917
0.15639
33
0.00000
0.05672
0.04273
34
0.00000
0.01944
0.03508
35
0.00000
-0.01944
0.03508
36
0.00000
-0.05672
0.04273
37
0.00000
0.01667
0.01325
38
0.00000
-0.07016
-0.03703
39
0.00000
0.07016
-0.03703
40
0.00000
-0.01667
0.01325
41
0.00000
0.00055
-0.03109
42
0.00000
-0.00055
-0.03109