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)
-1.01200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08025
0.00000
0.00000
2
0.08366
0.00000
0.00000
3
0.04091
0.00000
0.01271
4
0.04091
0.00000
-0.01271
5
-0.05711
0.00000
-0.01547
6
-0.05712
0.00000
0.01547
7
-0.04632
0.00000
-0.00146
8
-0.04632
0.00000
0.00146
9
0.05777
0.00000
0.05045
10
0.05778
0.00000
-0.05046
11
0.00653
0.00000
-0.01269
12
0.00654
0.00000
0.01270
13
0.18932
0.00000
0.00190
14
0.18934
0.00000
-0.00190
15
0.05808
0.00000
-0.18365
16
0.05808
0.00000
0.18366
17
-0.12963
0.00000
-0.30076
18
-0.12963
0.00000
0.30076
19
-0.07969
0.12060
0.12749
20
-0.07969
-0.12060
0.12749
21
-0.07970
-0.12062
-0.12751
22
-0.07970
0.12062
-0.12751