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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.12800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00010
-0.00001
2
0.00000
-0.00010
0.00001
3
0.00000
0.00001
-0.00005
4
0.00000
0.00004
-0.00040
5
0.00000
0.00004
0.00040
6
0.00000
0.00001
0.00005
7
0.00000
0.00012
0.00006
8
0.00000
-0.00070
-0.00099
9
0.00000
-0.00070
0.00099
10
0.00000
0.00012
-0.00006
11
0.00000
0.00000
-0.00009
12
0.00000
-0.02807
0.04999
13
0.00000
-0.02807
-0.04999
14
0.00000
0.00000
0.00009
15
0.00000
-0.00014
-0.00044
16
0.00000
-0.00014
0.00044
17
0.00000
0.00208
0.00025
18
0.00000
0.00976
-0.00014
19
0.00000
0.00976
0.00013
20
0.00000
0.00208
-0.00025
21
0.00000
-0.00039
0.00007
22
0.00000
0.00061
-0.00140
23
0.00000
0.00061
0.00140
24
0.00000
-0.00039
-0.00007
25
0.00000
0.00011
0.00009
26
0.00000
0.00011
-0.00009
27
0.00000
0.00002
-0.00012
28
0.00000
0.00002
0.00012
29
0.00000
-0.02371
0.00023
30
0.00000
-0.10912
0.00075
31
0.00000
-0.10913
-0.00075
32
0.00000
-0.02372
-0.00023
33
0.00000
0.00184
-0.00272
34
0.00000
-0.00612
0.01444
35
0.00000
-0.00612
-0.01445
36
0.00000
0.00184
0.00272
37
0.00000
-0.00059
0.00100
38
0.00000
0.33725
-0.57383
39
0.00000
0.33725
0.57382
40
0.00000
-0.00060
-0.00101
41
0.00000
-0.00134
0.00004
42
0.00000
-0.00133
-0.00004