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)
0.01800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00037
0.02117
2
0.00000
0.00037
-0.02117
3
0.00000
-0.02588
-0.00457
4
0.00000
-0.02588
0.00457
5
0.00000
0.01210
0.02884
6
0.00000
0.01210
-0.02884
7
0.00000
0.00110
-0.04480
8
0.00000
0.00110
0.04480
9
0.00000
-0.00448
-0.02982
10
0.00000
-0.00448
0.02982
11
0.00000
-0.00541
-0.00939
12
0.00000
-0.00541
0.00939
13
0.00000
0.00286
-0.03246
14
0.00000
0.00286
0.03246
15
0.00000
0.00153
0.03914
16
0.00000
0.00153
-0.03914
17
0.00000
-0.02318
-0.03319
18
0.00000
-0.02318
0.03319
19
0.00000
0.01124
0.02893
20
0.00000
0.01124
-0.02893
21
0.00000
-0.00073
0.41057
22
0.00000
-0.00073
-0.41057
23
0.00000
-0.11379
-0.07935
24
0.00000
-0.11379
0.07935
25
0.00000
0.21815
-0.15151
26
0.00000
0.21815
0.15151
27
0.00000
0.06090
-0.06699
28
0.00000
0.06090
0.06699
29
0.00000
-0.02650
-0.18992
30
0.00000
-0.02650
0.18992
31
0.00000
0.21619
0.15105
32
0.00000
0.21619
-0.15105