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)
0.21500
Eigenvectors
#
X
Y
Z
1
0.00000
0.02005
-0.01856
2
0.00000
-0.02005
-0.01856
3
0.00000
-0.04938
-0.00098
4
0.00000
0.00252
0.02491
5
0.00000
-0.00252
0.02491
6
0.00000
0.04938
-0.00098
7
0.00000
-0.07004
-0.04170
8
0.00000
0.05474
0.04717
9
0.00000
-0.05474
0.04717
10
0.00000
0.07004
-0.04170
11
0.00000
-0.01753
0.08505
12
0.00000
0.00732
-0.03422
13
0.00000
-0.00732
-0.03422
14
0.00000
0.01753
0.08504
15
0.00000
0.00573
-0.03454
16
0.00000
-0.00573
-0.03454
17
0.00000
-0.00279
0.00084
18
0.00000
-0.02543
-0.00614
19
0.00000
0.02543
-0.00614
20
0.00000
0.00279
0.00084
21
0.00000
0.02156
0.00632
22
0.00000
-0.00204
0.01676
23
0.00000
0.00204
0.01676
24
0.00000
-0.02156
0.00633
25
0.00000
0.00736
-0.04306
26
0.00000
-0.00736
-0.04306
27
0.00000
0.01703
0.01061
28
0.00000
-0.01703
0.01062
29
0.00000
-0.00340
0.07561
30
0.00000
-0.02947
-0.03454
31
0.00000
0.02947
-0.03454
32
0.00000
0.00340
0.07561
33
0.00000
0.22921
0.12940
34
0.00000
-0.05595
-0.00814
35
0.00000
0.05595
-0.00814
36
0.00000
-0.22921
0.12940
37
0.00000
-0.03913
-0.02267
38
0.00000
-0.14516
-0.13013
39
0.00000
0.14517
-0.13013
40
0.00000
0.03913
-0.02267
41
0.00000
0.00898
-0.15783
42
0.00000
-0.00898
-0.15783