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)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.42300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00110
0.00000
0.00000
2
0.11660
0.00000
0.00000
3
-0.00203
0.00000
-0.04044
4
-0.00203
0.00000
0.04044
5
-0.09160
0.00000
0.02548
6
-0.09160
0.00000
-0.02548
7
-0.02322
0.00000
0.07986
8
-0.02322
0.00000
-0.07986
9
0.01580
0.00000
-0.07559
10
0.01580
0.00000
0.07559
11
-0.00391
0.00000
-0.00575
12
-0.00391
0.00000
0.00575
13
0.25636
0.00000
0.05633
14
0.25636
0.00000
-0.05633
15
0.11161
0.00000
-0.13596
16
0.11161
0.00000
0.13596
17
0.12523
0.00000
0.11368
18
0.12523
0.00000
-0.11368
19
0.02790
-0.03152
-0.03234
20
0.02790
0.03152
-0.03234
21
0.02790
0.03152
0.03234
22
0.02790
-0.03152
0.03234