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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
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)
-0.31800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00695
2
0.00000
0.00000
-0.08093
3
0.02005
0.00000
0.03696
4
-0.02005
0.00000
0.03697
5
0.06967
0.00000
-0.06716
6
-0.06967
0.00000
-0.06716
7
0.04600
0.00000
-0.01716
8
-0.04600
0.00000
-0.01715
9
0.08041
0.00000
-0.03115
10
-0.08041
0.00000
-0.03115
11
-0.01544
0.00000
0.11270
12
0.01543
0.00000
0.11270
13
0.11673
0.00000
-0.06707
14
-0.11673
0.00000
-0.06707
15
0.05026
0.00000
-0.02024
16
-0.05026
0.00000
-0.02024
17
0.09740
0.00000
-0.00681
18
-0.09740
0.00000
-0.00680
19
-0.01010
-0.00610
0.10506
20
-0.01010
0.00610
0.10507
21
0.01009
-0.00610
0.10506
22
0.01009
0.00610
0.10506