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)
0.51900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.05080
2
0.00000
0.00000
-0.12158
3
0.02011
0.00000
0.02401
4
-0.02011
0.00000
0.02401
5
-0.11190
0.00000
0.02019
6
0.11189
0.00000
0.02019
7
-0.00012
0.00000
-0.05763
8
0.00011
0.00000
-0.05763
9
0.04352
0.00000
0.04055
10
-0.04352
0.00000
0.04054
11
0.02408
0.00000
-0.02303
12
-0.02408
0.00000
-0.02302
13
0.16300
0.00000
0.04366
14
-0.16298
0.00000
0.04366
15
-0.09361
0.00000
0.08463
16
0.09362
0.00000
0.08465
17
0.06265
0.00000
0.07385
18
-0.06267
0.00000
0.07388
19
-0.12344
0.12935
0.08527
20
-0.12344
-0.12935
0.08527
21
0.12344
0.12934
0.08526
22
0.12344
-0.12934
0.08526