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)
-0.23000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00668
-0.06069
2
0.00000
-0.00668
0.06069
3
0.00000
-0.02727
-0.07244
4
0.00000
-0.01636
0.01582
5
0.00000
-0.01636
-0.01582
6
0.00000
-0.02727
0.07244
7
0.00000
-0.00369
-0.06324
8
0.00000
-0.01867
-0.02817
9
0.00000
-0.01867
0.02817
10
0.00000
-0.00369
0.06324
11
0.00000
0.02401
-0.01639
12
0.00000
0.02610
-0.08855
13
0.00000
0.02610
0.08855
14
0.00000
0.02401
0.01639
15
0.00000
0.02150
0.01238
16
0.00000
0.02150
-0.01238
17
0.00000
-0.00984
0.01620
18
0.00000
0.05130
-0.00817
19
0.00000
0.05130
0.00817
20
0.00000
-0.00984
-0.01620
21
0.00000
-0.00995
0.01617
22
0.00000
-0.02453
0.03515
23
0.00000
-0.02453
-0.03515
24
0.00000
-0.00995
-0.01617
25
0.00000
0.02475
0.02516
26
0.00000
0.02475
-0.02516
27
0.00000
-0.03238
0.06981
28
0.00000
-0.03238
-0.06981
29
0.00000
-0.00969
-0.02054
30
0.00000
0.05216
-0.05576
31
0.00000
0.05216
0.05576
32
0.00000
-0.00968
0.02054
33
0.00000
0.03633
0.04398
34
0.00000
-0.04376
0.02337
35
0.00000
-0.04376
-0.02337
36
0.00000
0.03633
-0.04398
37
0.00000
0.02094
0.10100
38
0.00000
-0.05847
-0.13820
39
0.00000
-0.05848
0.13820
40
0.00000
0.02094
-0.10100
41
0.00000
0.02290
-0.01804
42
0.00000
0.02290
0.01804