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)
0.00600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.70400
Eigenvectors
#
X
Y
Z
1
0.00001
0.00000
-0.00018
2
-0.00002
0.00000
-0.00027
3
-0.00117
0.00000
0.00020
4
0.00128
0.00000
0.00021
5
0.00002
0.00000
0.00699
6
-0.00005
0.00000
0.00743
7
0.04135
0.00000
0.02509
8
-0.04409
0.00000
0.02675
9
-0.02696
0.00000
0.01262
10
0.02875
0.00000
0.01343
11
-0.00010
0.00000
-0.00010
12
0.00008
0.00000
-0.00011
13
0.00493
0.00000
-0.07927
14
-0.00521
0.00000
-0.08423
15
-0.46727
0.00000
-0.28774
16
0.49820
0.00000
-0.30679
17
0.30231
0.00000
-0.16298
18
-0.32228
0.00000
-0.17375
19
-0.00034
-0.00013
-0.00041
20
-0.00034
0.00013
-0.00041
21
0.00036
-0.00020
-0.00034
22
0.00036
0.00020
-0.00034