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)
0.07900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02246
-0.04449
2
0.00000
0.02246
-0.04449
3
0.00000
-0.02094
-0.01669
4
0.00000
0.02094
-0.01669
5
0.00000
-0.07787
-0.03950
6
0.00000
0.07787
-0.03950
7
0.00000
-0.00703
0.01100
8
0.00000
0.00703
0.01100
9
0.00000
-0.01138
-0.01467
10
0.00000
0.01138
-0.01467
11
0.00000
-0.03934
-0.00501
12
0.00000
0.03934
-0.00501
13
0.00000
-0.10987
-0.01442
14
0.00000
0.10987
-0.01442
15
0.00000
-0.08763
0.01187
16
0.00000
0.08763
0.01187
17
0.00000
0.01141
0.04205
18
0.00000
-0.01141
0.04205
19
0.00000
-0.00008
0.05963
20
0.00000
0.00008
0.05963
21
0.00000
-0.09007
0.05782
22
0.00000
0.09007
0.05782
23
0.00000
-0.01318
0.01415
24
0.00000
0.01318
0.01415
25
0.00000
-0.13643
-0.00154
26
0.00000
0.13643
-0.00154
27
0.00000
0.03210
-0.04290
28
0.00000
-0.03210
-0.04290
29
0.00000
0.00975
0.03932
30
0.00000
-0.00975
0.03932
31
0.00000
-0.01277
0.05479
32
0.00000
0.01277
0.05479