Charge: 0
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
Electronic States
Energy
(eV)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.20400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04638
0.02343
2
0.00000
-0.04638
-0.02343
3
0.00000
0.00546
0.01248
4
0.00000
0.00546
-0.01248
5
0.00000
-0.02914
0.03349
6
0.00000
-0.02914
-0.03349
7
0.00000
-0.05925
-0.02028
8
0.00000
-0.05925
0.02028
9
0.00000
0.04524
0.08134
10
0.00000
0.04524
-0.08134
11
0.00000
0.05204
0.00120
12
0.00000
0.05204
-0.00120
13
0.00000
-0.03978
-0.04423
14
0.00000
-0.03978
0.04423
15
0.00000
0.05607
0.00919
16
0.00000
0.05607
-0.00919
17
0.00000
-0.03261
-0.03311
18
0.00000
-0.03261
0.03311
19
0.00000
0.04923
-0.07749
20
0.00000
0.04923
0.07749
21
0.00000
0.05648
0.09755
22
0.00000
0.05648
-0.09755
23
0.00000
0.04097
-0.00860
24
0.00000
0.04097
0.00860
25
0.00000
-0.06360
-0.03005
26
0.00000
-0.06359
0.03005
27
0.00000
-0.01335
0.11565
28
0.00000
-0.01335
-0.11565
29
0.00000
-0.03054
0.06625
30
0.00000
-0.03054
-0.06626
31
0.00000
-0.00049
-0.10617
32
0.00000
-0.00049
0.10617