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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00285
-0.02431
2
0.00000
0.00285
-0.02431
3
0.00000
0.01168
-0.02464
4
0.00000
-0.01168
-0.02464
5
0.00000
-0.03443
0.00370
6
0.00000
0.03443
0.00370
7
0.00000
0.00983
-0.05059
8
0.00000
-0.00984
-0.05059
9
0.00000
-0.00684
0.01268
10
0.00000
0.00684
0.01268
11
0.00000
0.01773
0.05834
12
0.00000
-0.01774
0.05834
13
0.00000
-0.04932
0.07025
14
0.00000
0.04933
0.07025
15
0.00000
-0.02330
0.09283
16
0.00000
0.02330
0.09283
17
0.00000
-0.00171
-0.06998
18
0.00000
0.00170
-0.06998
19
0.00000
0.00083
-0.08148
20
0.00000
-0.00082
-0.08148
21
0.00000
-0.02348
0.12296
22
0.00000
0.02348
0.12297
23
0.00000
0.06284
0.08425
24
0.00000
-0.06284
0.08425
25
0.00000
-0.08813
0.09130
26
0.00000
0.08813
0.09130
27
0.00000
0.01260
0.00106
28
0.00000
-0.01260
0.00106
29
0.00000
0.00111
-0.06309
30
0.00000
-0.00111
-0.06311
31
0.00000
0.00622
-0.07922
32
0.00000
-0.00621
-0.07923