Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
Electronic States
Energy
(eV)
-461.49413
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05061 b
(cm-1)
0.03995 c
(cm-1)
0.02232
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.29247
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.84200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09416
0.00000
0.00000
2
-0.03740
0.00000
0.00000
3
0.07989
0.00000
0.04627
4
0.07989
0.00000
-0.04627
5
0.05711
0.00000
0.01224
6
0.05711
0.00000
-0.01224
7
-0.03824
0.00000
0.04455
8
-0.03824
0.00000
-0.04455
9
-0.02259
0.00000
-0.05262
10
-0.02259
0.00000
0.05262
11
0.02152
0.00000
0.09557
12
0.02152
0.00000
-0.09557
13
-0.09297
0.00000
0.00197
14
-0.09297
0.00000
-0.00197
15
-0.01401
0.00000
0.00693
16
-0.01401
0.00000
-0.00693
17
0.00312
0.00000
-0.00120
18
0.00312
0.00000
0.00120
19
-0.27611
0.00000
-0.11580
20
-0.27611
0.00000
0.11580