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)
-1.66100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00906
0.09173
2
0.00000
0.00906
-0.09173
3
0.00000
0.00274
-0.05403
4
0.00000
0.00274
0.05403
5
0.00000
-0.03999
-0.05176
6
0.00000
-0.03999
0.05176
7
0.00000
0.00556
-0.00339
8
0.00000
0.00556
0.00339
9
0.00000
0.01524
0.00182
10
0.00000
0.01524
-0.00182
11
0.00000
0.03512
0.06686
12
0.00000
0.03512
-0.06686
13
0.00000
0.01954
0.03409
14
0.00000
0.01954
-0.03409
15
0.00000
-0.02047
-0.08570
16
0.00000
-0.02047
0.08570
17
0.00000
-0.02364
-0.01860
18
0.00000
-0.02364
0.01860
19
0.00000
0.03108
0.04082
20
0.00000
0.03108
-0.04082
21
0.00000
-0.02261
0.16858
22
0.00000
-0.02261
-0.16858
23
0.00000
-0.13652
-0.03897
24
0.00000
-0.13652
0.03897
25
0.00000
-0.00553
0.04786
26
0.00000
-0.00553
-0.04786
27
0.00000
-0.06964
0.04707
28
0.00000
-0.06964
-0.04707
29
0.00000
-0.02549
0.01682
30
0.00000
-0.02549
-0.01682
31
0.00000
-0.14796
-0.06084
32
0.00000
-0.14796
0.06084