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)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
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)
0.52700
Eigenvectors
#
X
Y
Z
1
0.00000
0.03253
-0.02800
2
0.00000
-0.03253
-0.02800
3
0.00000
0.02192
-0.06926
4
0.00000
-0.02192
-0.06926
5
0.00000
0.04197
0.03006
6
0.00000
-0.04197
0.03006
7
0.00000
-0.02452
-0.00547
8
0.00000
0.02452
-0.00547
9
0.00000
-0.00049
-0.00877
10
0.00000
0.00049
-0.00877
11
0.00000
0.01847
-0.07009
12
0.00000
-0.01847
-0.07009
13
0.00000
0.04498
0.09011
14
0.00000
-0.04498
0.09011
15
0.00000
-0.08950
0.00519
16
0.00000
0.08950
0.00519
17
0.00000
-0.04967
0.02740
18
0.00000
0.04967
0.02740
19
0.00000
-0.00773
0.01781
20
0.00000
0.00773
0.01781
21
0.00000
-0.08832
-0.02100
22
0.00000
0.08832
-0.02100
23
0.00000
0.11935
-0.00904
24
0.00000
-0.11935
-0.00904
25
0.00000
0.11959
0.04931
26
0.00000
-0.11959
0.04931
27
0.00000
-0.03664
0.01130
28
0.00000
0.03664
0.01130
29
0.00000
-0.05151
0.06344
30
0.00000
0.05151
0.06344
31
0.00000
0.02287
0.03698
32
0.00000
-0.02287
0.03698