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)
1.12900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00107
-0.04131
2
0.00000
0.00107
-0.04131
3
0.00000
0.02249
-0.01752
4
0.00000
-0.02249
-0.01752
5
0.00000
-0.02278
0.04605
6
0.00000
0.02278
0.04605
7
0.00000
0.02519
0.01292
8
0.00000
-0.02519
0.01292
9
0.00000
-0.07211
-0.01403
10
0.00000
0.07211
-0.01403
11
0.00000
-0.01619
0.01848
12
0.00000
0.01619
0.01848
13
0.00000
-0.01680
0.00884
14
0.00000
0.01680
0.00884
15
0.00000
0.02345
-0.02096
16
0.00000
-0.02345
-0.02096
17
0.00000
-0.00078
0.00265
18
0.00000
0.00078
0.00265
19
0.00000
0.00886
0.00097
20
0.00000
-0.00886
0.00097
21
0.00000
0.02389
-0.13991
22
0.00000
-0.02389
-0.13991
23
0.00000
-0.09066
-0.02730
24
0.00000
0.09066
-0.02730
25
0.00000
-0.02459
0.01487
26
0.00000
0.02459
0.01487
27
0.00000
-0.48928
0.22297
28
0.00000
0.48928
0.22297
29
0.00000
0.00012
-0.07572
30
0.00000
-0.00012
-0.07572
31
0.00000
0.09553
0.05174
32
0.00000
-0.09553
0.05174