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)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.02300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02781
0.00000
0.00000
2
-0.18622
0.00000
0.00000
3
0.05794
0.00000
0.02048
4
0.05794
0.00000
-0.02048
5
0.01624
0.00000
-0.02324
6
0.01624
0.00000
0.02324
7
-0.03107
0.00000
0.00371
8
-0.03107
0.00000
-0.00372
9
0.03019
0.00000
-0.02826
10
0.03019
0.00000
0.02826
11
0.00329
0.00000
0.02763
12
0.00329
0.00000
-0.02763
13
0.30286
0.00000
-0.01408
14
0.30286
0.00000
0.01408
15
-0.01206
0.00000
-0.02847
16
-0.01206
0.00000
0.02848
17
0.17443
0.00000
0.24366
18
0.17443
0.00000
-0.24365
19
-0.05143
-0.00702
-0.02464
20
-0.05143
0.00702
-0.02464
21
-0.05145
0.00702
0.02465
22
-0.05145
-0.00702
0.02465