Charge: 2
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+2
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)
-1.13200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00002
-0.00004
2
0.00000
0.00002
0.00004
3
0.00000
0.00032
-0.00031
4
0.00000
0.00000
0.00002
5
0.00000
0.00000
-0.00002
6
0.00000
0.00032
0.00031
7
0.00000
0.00084
0.00055
8
0.00000
0.00001
-0.00001
9
0.00000
0.00001
0.00001
10
0.00000
0.00084
-0.00055
11
0.00000
0.00026
-0.00072
12
0.00000
0.00002
-0.00004
13
0.00000
0.00002
0.00004
14
0.00000
0.00026
0.00072
15
0.00000
0.00024
-0.00067
16
0.00000
0.00024
0.00067
17
0.00000
-0.00938
-0.00146
18
0.00000
-0.00046
-0.00007
19
0.00000
-0.00046
0.00007
20
0.00000
-0.00938
0.00146
21
0.00000
-0.02221
0.03699
22
0.00000
0.00003
0.00002
23
0.00000
0.00003
-0.00002
24
0.00000
-0.02221
-0.03699
25
0.00000
-0.03697
0.00038
26
0.00000
-0.03697
-0.00038
27
0.00000
-0.00242
0.00749
28
0.00000
-0.00242
-0.00749
29
0.00000
0.09456
0.00171
30
0.00000
0.00489
-0.00029
31
0.00000
0.00489
0.00029
32
0.00000
0.09456
-0.00171
33
0.00000
0.25854
-0.43109
34
0.00000
0.00014
-0.00051
35
0.00000
0.00015
0.00052
36
0.00000
0.25854
0.43109
37
0.00000
0.03870
-0.07037
38
0.00000
-0.00019
0.00033
39
0.00000
-0.00020
-0.00033
40
0.00000
0.03870
0.07037
41
0.00000
0.43329
-0.00199
42
0.00000
0.43329
0.00200