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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.10200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00001
0.00001
2
0.00000
-0.00001
-0.00001
3
0.00000
0.00001
-0.00001
4
0.00000
0.00004
-0.00008
5
0.00000
0.00004
0.00008
6
0.00000
0.00001
0.00001
7
0.00000
-0.00021
0.00004
8
0.00000
-0.00008
0.00002
9
0.00000
-0.00008
-0.00002
10
0.00000
-0.00021
-0.00004
11
0.00000
0.00034
-0.00052
12
0.00000
0.00354
-0.00588
13
0.00000
0.00354
0.00588
14
0.00000
0.00034
0.00052
15
0.00000
0.00019
-0.00012
16
0.00000
0.00019
0.00012
17
0.00000
-0.01196
-0.00010
18
0.00000
-0.01097
-0.00002
19
0.00000
-0.01097
0.00002
20
0.00000
-0.01196
0.00010
21
0.00000
0.00300
-0.00434
22
0.00000
0.00429
-0.00710
23
0.00000
0.00429
0.00710
24
0.00000
0.00300
0.00434
25
0.00000
-0.01787
0.00222
26
0.00000
-0.01787
-0.00222
27
0.00000
0.02461
-0.04447
28
0.00000
0.02461
0.04447
29
0.00000
0.13927
0.00067
30
0.00000
0.12840
-0.00019
31
0.00000
0.12840
0.00019
32
0.00000
0.13927
-0.00067
33
0.00000
-0.03324
0.05148
34
0.00000
-0.04968
0.08527
35
0.00000
-0.04968
-0.08527
36
0.00000
-0.03324
-0.05148
37
0.00000
-0.29965
0.51372
38
0.00000
-0.04104
0.07034
39
0.00000
-0.04104
-0.07034
40
0.00000
-0.29965
-0.51372
41
0.00000
0.21661
-0.00384
42
0.00000
0.21661
0.00384