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)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
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)
0.31200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00401
2
0.00000
0.00000
0.14261
3
0.07065
0.00000
-0.06204
4
-0.07065
0.00000
-0.06204
5
-0.05373
0.00000
-0.04029
6
0.05373
0.00000
-0.04029
7
-0.04068
0.00000
0.02687
8
0.04068
0.00000
0.02687
9
0.03139
0.00000
-0.01345
10
-0.03139
0.00000
-0.01345
11
-0.09840
0.00000
0.03535
12
0.09840
0.00000
0.03535
13
-0.03310
0.00000
-0.04928
14
0.03310
0.00000
-0.04928
15
-0.13466
0.00000
-0.11301
16
0.13466
0.00000
-0.11301
17
0.02360
0.00000
0.00501
18
-0.02360
0.00000
0.00501
19
0.05035
0.00000
-0.07800
20
-0.05035
0.00000
-0.07800