Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
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)
0.18400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00148
0.06241
2
0.00000
0.00148
0.06241
3
0.00000
-0.07167
-0.02420
4
0.00000
0.07167
-0.02420
5
0.00000
0.01487
0.02380
6
0.00000
-0.01487
0.02380
7
0.00000
-0.07988
-0.05346
8
0.00000
0.07988
-0.05346
9
0.00000
-0.01384
-0.02817
10
0.00000
0.01383
-0.02817
11
0.00000
0.03854
-0.03848
12
0.00000
-0.03854
-0.03848
13
0.00000
-0.03190
-0.01674
14
0.00000
0.03190
-0.01674
15
0.00000
0.03582
0.02280
16
0.00000
-0.03582
0.02280
17
0.00000
0.01547
0.02943
18
0.00000
-0.01546
0.02943
19
0.00001
0.06055
-0.01273
20
-0.00001
-0.06055
-0.01273
21
0.00001
0.03868
0.17324
22
-0.00001
-0.03868
0.17324
23
0.00000
0.09175
-0.01029
24
0.00000
-0.09175
-0.01029
25
-0.00001
-0.07659
0.00601
26
0.00001
0.07658
0.00601
27
-0.00001
-0.08475
0.00906
28
0.00001
0.08475
0.00906
29
0.00001
0.01828
0.22756
30
-0.00001
-0.01828
0.22756
31
-0.00003
0.11808
0.01538
32
0.00003
-0.11808
0.01538