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)
0.00000
Diff mu Z
(Debye)
-0.03800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00035
0.00001
2
0.00000
0.00035
0.00001
3
0.00000
-0.00092
-0.00016
4
0.00000
0.00092
-0.00016
5
0.00000
-0.00028
0.00026
6
0.00000
0.00028
0.00026
7
0.00000
0.00002
0.00119
8
0.00000
-0.00002
0.00119
9
0.00000
0.00031
-0.00019
10
0.00000
-0.00031
-0.00019
11
0.00000
0.01997
-0.03262
12
0.00000
-0.01997
-0.03262
13
0.00000
0.00062
0.00199
14
0.00000
-0.00062
0.00199
15
0.00000
0.01094
0.00128
16
0.00000
-0.01093
0.00128
17
0.00000
0.04160
-0.00047
18
0.00000
-0.04160
-0.00047
19
0.00000
0.00570
-0.01187
20
0.00000
-0.00570
-0.01186
21
0.00000
-0.11560
-0.00142
22
0.00000
0.11559
-0.00142
23
0.00000
-0.22998
0.37621
24
0.00000
0.22996
0.37617
25
0.00000
-0.00828
-0.01615
26
0.00000
0.00828
-0.01614
27
0.00000
0.00012
0.00011
28
0.00000
-0.00012
0.00011
29
0.00000
-0.47807
0.00810
30
0.00000
0.47802
0.00810
31
0.00000
-0.06545
0.11630
32
0.00000
0.06545
0.11629