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)
0.00000
Diff mu Z
(Debye)
1.86500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00171
-0.03941
2
0.00000
-0.00171
-0.03941
3
0.00000
-0.01775
0.01464
4
0.00000
-0.01976
0.03379
5
0.00000
0.01976
0.03379
6
0.00000
0.01775
0.01464
7
0.00000
-0.01111
0.01949
8
0.00000
-0.00972
0.01351
9
0.00000
0.00972
0.01351
10
0.00000
0.01111
0.01949
11
0.00000
-0.00523
-0.01590
12
0.00000
-0.01786
-0.00979
13
0.00000
0.01786
-0.00979
14
0.00000
0.00523
-0.01590
15
0.00000
0.00780
-0.10818
16
0.00000
-0.00780
-0.10818
17
0.00000
-0.03931
0.00006
18
0.00000
-0.02965
-0.00231
19
0.00000
0.02965
-0.00231
20
0.00000
0.03931
0.00006
21
0.00000
0.01253
0.02334
22
0.00000
0.00600
0.02039
23
0.00000
-0.00600
0.02039
24
0.00000
-0.01253
0.02334
25
0.00000
-0.00808
-0.01453
26
0.00000
0.00808
-0.01454
27
0.00000
0.00387
0.01269
28
0.00000
-0.00387
0.01270
29
0.00000
-0.04754
0.24557
30
0.00000
-0.03472
0.29720
31
0.00000
0.03472
0.29719
32
0.00000
0.04755
0.24556
33
0.00000
0.11466
0.08968
34
0.00000
0.07205
0.06318
35
0.00000
-0.07205
0.06318
36
0.00000
-0.11467
0.08968
37
0.00000
0.08511
0.06262
38
0.00000
-0.19931
-0.11624
39
0.00000
0.19931
-0.11624
40
0.00000
-0.08512
0.06263
41
0.00000
-0.00854
-0.02048
42
0.00000
0.00854
-0.02049