Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
Electronic States
Energy
(eV)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
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)
0.24500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.03472
2
0.00000
0.00000
0.02691
3
-0.04288
0.00000
0.02955
4
0.04288
0.00000
0.02955
5
0.02061
0.00000
-0.00930
6
-0.02061
0.00000
-0.00930
7
0.01538
0.00000
0.01470
8
-0.01538
0.00000
0.01470
9
0.00316
0.00000
-0.01780
10
-0.00316
0.00000
-0.01780
11
0.06304
0.00000
0.01677
12
-0.06304
0.00000
0.01677
13
0.09692
0.00000
-0.00579
14
-0.09692
0.00000
-0.00579
15
0.11677
0.00000
-0.14307
16
-0.11677
0.00000
-0.14307
17
-0.03653
0.00000
-0.09986
18
0.03653
0.00000
-0.09986
19
-0.31237
-0.00266
-0.26106
20
-0.31237
0.00266
-0.26106
21
0.31237
-0.00266
-0.26106
22
0.31237
0.00266
-0.26106