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)
0.01300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06290
0.03148
2
0.00000
-0.06290
-0.03148
3
0.00000
0.01502
0.08418
4
0.00000
0.01502
-0.08418
5
0.00000
-0.02806
-0.00414
6
0.00000
-0.02806
0.00414
7
0.00000
0.06567
0.05744
8
0.00000
0.06567
-0.05744
9
0.00000
-0.00835
0.01029
10
0.00000
-0.00835
-0.01029
11
0.00000
0.02405
0.00991
12
0.00000
0.02405
-0.00991
13
0.00000
-0.01390
-0.06830
14
0.00000
-0.01390
0.06830
15
0.00000
0.06556
-0.02800
16
0.00000
0.06556
0.02800
17
0.00000
0.00316
0.03851
18
0.00000
0.00317
-0.03851
19
0.00000
-0.05565
0.05955
20
0.00000
-0.05565
-0.05955
21
0.00000
0.06497
0.00642
22
0.00000
0.06497
-0.00642
23
0.00000
-0.05647
-0.04029
24
0.00000
-0.05647
0.04029
25
0.00000
-0.03149
-0.05767
26
0.00000
-0.03149
0.05767
27
0.00000
-0.01726
0.01527
28
0.00000
-0.01726
-0.01527
29
0.00000
0.00152
-0.06049
30
0.00000
0.00152
0.06049
31
0.00000
-0.01623
0.08185
32
0.00000
-0.01623
-0.08185