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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-1.23200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02756
-0.02382
2
0.00000
-0.02756
0.02382
3
0.00000
0.04129
0.03245
4
0.00000
0.04129
-0.03244
5
0.00000
0.04329
0.01928
6
0.00000
0.04329
-0.01928
7
0.00000
-0.02410
-0.07106
8
0.00000
-0.02409
0.07106
9
0.00000
0.00057
-0.01702
10
0.00000
0.00057
0.01702
11
0.00000
0.04979
0.04957
12
0.00000
0.04979
-0.04956
13
0.00000
-0.05496
0.04168
14
0.00000
-0.05496
-0.04168
15
0.00000
-0.00989
-0.04720
16
0.00000
-0.00989
0.04720
17
0.00000
0.00858
-0.01253
18
0.00000
0.00858
0.01253
19
0.00000
-0.01247
0.01626
20
0.00000
-0.01247
-0.01626
21
0.00000
-0.01170
-0.07383
22
0.00000
-0.01170
0.07382
23
0.00000
-0.32708
-0.17752
24
0.00000
-0.32708
0.17751
25
0.00000
0.12754
-0.05613
26
0.00000
0.12753
0.05613
27
0.00000
-0.00823
-0.01254
28
0.00000
-0.00822
0.01254
29
0.00000
0.01150
0.17965
30
0.00000
0.01150
-0.17966
31
0.00000
0.03495
0.04524
32
0.00000
0.03494
-0.04523