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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
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)
0.42200
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01082
0.01412
2
0.00000
0.01082
0.01412
3
0.00000
-0.06901
0.01454
4
0.00000
0.06901
0.01454
5
0.00000
0.04620
-0.03928
6
0.00000
-0.04620
-0.03928
7
0.00000
-0.00674
-0.01239
8
0.00000
0.00674
-0.01239
9
0.00000
-0.00569
-0.10892
10
0.00000
0.00569
-0.10892
11
0.00000
-0.09268
0.06452
12
0.00000
0.09268
0.06452
13
0.00000
0.04590
0.04338
14
0.00000
-0.04590
0.04338
15
0.00000
-0.01544
0.02239
16
0.00000
0.01544
0.02239
17
0.00000
0.01344
-0.00063
18
0.00000
-0.01344
-0.00063
19
0.00000
0.00187
0.00687
20
0.00000
-0.00187
0.00687
21
0.00000
-0.01661
-0.08007
22
0.00000
0.01661
-0.08007
23
0.00000
-0.10626
0.05652
24
0.00000
0.10626
0.05652
25
0.00000
0.02119
0.05478
26
0.00000
-0.02119
0.05478
27
0.00000
-0.05132
-0.08311
28
0.00000
0.05132
-0.08311
29
0.00000
0.01340
-0.00535
30
0.00000
-0.01340
-0.00535
31
0.00000
-0.00787
0.00241
32
0.00000
0.00787
0.00241