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)
1.34900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07594
2
0.00000
0.00000
-0.08977
3
-0.04759
0.00000
0.09449
4
0.04759
0.00000
0.09448
5
-0.01140
0.00000
0.03661
6
0.01140
0.00000
0.03661
7
-0.00644
0.00000
0.02432
8
0.00644
0.00000
0.02432
9
0.03224
0.00000
-0.01217
10
-0.03224
0.00000
-0.01218
11
-0.05309
0.00000
-0.05477
12
0.05309
0.00000
-0.05478
13
-0.26038
0.00000
0.02134
14
0.26038
0.00000
0.02134
15
0.14392
0.00000
-0.21276
16
-0.14392
0.00000
-0.21276
17
0.00672
0.00000
-0.06693
18
-0.00672
0.00000
-0.06693
19
0.08322
0.02385
0.09574
20
0.08322
-0.02385
0.09574
21
-0.08322
0.02385
0.09575
22
-0.08322
-0.02385
0.09575