Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
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)
-0.39100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.08938
2
0.00000
0.00000
-0.05310
3
0.00912
0.00000
-0.00573
4
-0.00912
0.00000
-0.00573
5
0.09823
0.00000
-0.01011
6
-0.09823
0.00000
-0.01011
7
-0.01848
0.00000
-0.05915
8
0.01848
0.00000
-0.05915
9
-0.04047
0.00000
0.04772
10
0.04047
0.00000
0.04772
11
-0.09309
0.00000
0.01130
12
0.09309
0.00000
0.01130
13
-0.27374
0.00000
0.01822
14
0.27374
0.00000
0.01822
15
0.06315
0.00000
0.06599
16
-0.06315
0.00000
0.06599
17
-0.03494
0.00000
0.03270
18
0.03494
0.00000
0.03270
19
0.10474
0.00000
-0.14270
20
-0.10474
0.00000
-0.14270