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)
-0.53500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00011
0.00010
2
0.00000
0.00011
-0.00010
3
0.00000
-0.00004
0.00015
4
0.00000
-0.00004
-0.00015
5
0.00000
0.00207
-0.00029
6
0.00000
0.00207
0.00029
7
0.00000
0.00003
0.00001
8
0.00000
0.00003
-0.00001
9
0.00000
0.02509
0.04428
10
0.00000
0.02509
-0.04428
11
0.00000
0.00293
-0.00398
12
0.00000
0.00293
0.00398
13
0.00000
-0.00060
-0.00215
14
0.00000
-0.00060
0.00215
15
0.00000
-0.02364
0.00092
16
0.00000
-0.02364
-0.00092
17
0.00000
-0.00149
0.00005
18
0.00000
-0.00149
-0.00005
19
0.00000
0.00112
-0.00192
20
0.00000
0.00112
0.00192
21
0.00000
0.27109
0.00048
22
0.00000
0.27109
-0.00048
23
0.00000
-0.03403
0.05300
24
0.00000
-0.03403
-0.05300
25
0.00000
0.00197
0.00873
26
0.00000
0.00197
-0.00873
27
0.00000
-0.30864
-0.53319
28
0.00000
-0.30864
0.53319
29
0.00000
0.01701
-0.00038
30
0.00000
0.01701
0.00038
31
0.00000
-0.01381
0.02360
32
0.00000
-0.01381
-0.02360