Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
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)
0.14100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04447
2
0.00000
0.00000
0.08236
3
0.06666
0.00000
-0.02538
4
-0.06666
0.00000
-0.02538
5
0.00610
0.00000
0.07655
6
-0.00610
0.00000
0.07655
7
0.11180
0.00000
-0.02943
8
-0.11180
0.00000
-0.02943
9
0.08222
0.00000
-0.03121
10
-0.08222
0.00000
-0.03121
11
-0.01416
0.00000
-0.04553
12
0.01416
0.00000
-0.04552
13
-0.05741
0.00000
0.07264
14
0.05741
0.00000
0.07264
15
0.10733
0.00000
-0.01877
16
-0.10733
0.00000
-0.01876
17
0.04319
0.00000
-0.10608
18
-0.04319
0.00000
-0.10608
19
0.00886
0.00164
-0.02405
20
0.00886
-0.00164
-0.02405
21
-0.00886
0.00164
-0.02405
22
-0.00886
-0.00164
-0.02405