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)
-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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.11000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03998
2
0.00000
0.00000
-0.00067
3
0.08610
0.00000
0.00956
4
-0.08610
0.00000
0.00956
5
0.10560
0.00000
0.00491
6
-0.10560
0.00000
0.00491
7
-0.03205
0.00000
-0.02517
8
0.03205
0.00000
-0.02517
9
-0.03834
0.00000
0.03574
10
0.03834
0.00000
0.03574
11
0.02124
0.00000
0.00306
12
-0.02124
0.00000
0.00306
13
-0.34580
0.00000
-0.02202
14
0.34580
0.00000
-0.02202
15
-0.11890
0.00000
0.10767
16
0.11889
0.00000
0.10767
17
-0.14727
0.00000
-0.15707
18
0.14727
0.00000
-0.15707
19
-0.07668
0.03223
-0.01050
20
-0.07668
-0.03223
-0.01050
21
0.07668
0.03224
-0.01050
22
0.07668
-0.03224
-0.01050