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)
-0.01400
Eigenvectors
#
X
Y
Z
1
0.00000
0.03273
-0.02708
2
0.00000
-0.03273
-0.02708
3
0.00000
0.02105
-0.06762
4
0.00000
-0.02105
-0.06762
5
0.00000
0.04262
0.03020
6
0.00000
-0.04262
0.03020
7
0.00000
-0.02430
0.00002
8
0.00000
0.02430
0.00002
9
0.00000
-0.00210
-0.01496
10
0.00000
0.00210
-0.01496
11
0.00000
0.01561
-0.06623
12
0.00000
-0.01561
-0.06623
13
0.00000
0.04263
0.08691
14
0.00000
-0.04263
0.08691
15
0.00000
-0.09585
0.00611
16
0.00000
0.09585
0.00611
17
0.00000
-0.05434
0.02550
18
0.00000
0.05434
0.02550
19
0.00000
-0.00741
0.01676
20
0.00000
0.00741
0.01676
21
0.00000
-0.09240
-0.01533
22
0.00000
0.09240
-0.01533
23
0.00000
0.11612
-0.00428
24
0.00000
-0.11612
-0.00428
25
0.00000
0.12207
0.04041
26
0.00000
-0.12207
0.04041
27
0.00000
-0.04194
0.00774
28
0.00000
0.04194
0.00774
29
0.00000
-0.05608
0.05579
30
0.00000
0.05608
0.05579
31
0.00000
0.02802
0.03951
32
0.00000
-0.02802
0.03951