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)
0.00000
Diff mu Z
(Debye)
0.32600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.09911
0.02585
2
0.00000
0.09911
0.02585
3
0.00000
-0.02105
0.01425
4
0.00000
0.02105
0.01425
5
0.00000
-0.03096
-0.06980
6
0.00000
0.03096
-0.06980
7
0.00000
0.06982
-0.02043
8
0.00000
-0.06982
-0.02043
9
0.00000
0.00553
0.02318
10
0.00000
-0.00553
0.02318
11
0.00000
0.00171
-0.03952
12
0.00000
-0.00170
-0.03952
13
0.00000
0.05623
-0.00160
14
0.00000
-0.05623
-0.00160
15
0.00000
-0.01324
0.02397
16
0.00000
0.01324
0.02397
17
0.00000
0.00057
0.04848
18
0.00000
-0.00057
0.04848
19
0.00000
-0.04393
-0.02820
20
0.00000
0.04393
-0.02820
21
0.00000
-0.01189
0.04819
22
0.00000
0.01189
0.04819
23
0.00000
0.19648
0.07899
24
0.00000
-0.19648
0.07899
25
0.00000
0.02607
0.01493
26
0.00000
-0.02607
0.01493
27
0.00000
-0.17553
0.13357
28
0.00000
0.17553
0.13357
29
0.00000
0.00080
-0.01063
30
0.00000
-0.00080
-0.01063
31
0.00000
0.03661
0.01850
32
0.00000
-0.03661
0.01850