Charge: -1
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-1
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)
1.25600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00436
-0.05668
2
0.00000
-0.00436
-0.05668
3
0.00000
0.03415
0.00064
4
0.00000
-0.03415
0.00064
5
0.00000
0.00016
-0.02274
6
0.00000
-0.00016
-0.02274
7
0.00000
0.01315
0.05592
8
0.00000
-0.01315
0.05592
9
0.00000
0.01317
0.03352
10
0.00000
-0.01317
0.03352
11
0.00000
-0.02469
0.03729
12
0.00000
0.02469
0.03729
13
0.00000
0.03006
-0.00594
14
0.00000
-0.03006
-0.00594
15
0.00000
-0.03193
-0.01461
16
0.00000
0.03193
-0.01461
17
0.00000
0.05457
0.03343
18
0.00000
-0.05457
0.03343
19
0.00000
0.09058
-0.06899
20
0.00000
-0.09058
-0.06899
21
0.00000
-0.03424
-0.11115
22
0.00000
0.03424
-0.11115
23
0.00000
0.02259
0.07031
24
0.00000
-0.02259
0.07031
25
0.00000
0.09395
-0.04542
26
0.00000
-0.09395
-0.04542
27
0.00000
0.08878
-0.01035
28
0.00000
-0.08878
-0.01035
29
0.00000
0.06395
0.18978
30
0.00000
-0.06395
0.18978
31
0.00000
0.22819
0.00399
32
0.00000
-0.22819
0.00399