Charge: 0
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
Electronic States
Energy
(eV)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
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)
0.21000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.07755
2
0.00000
0.00000
-0.15008
3
0.01366
0.00000
0.03793
4
-0.01366
0.00000
0.03793
5
-0.09996
0.00000
0.02043
6
0.09996
0.00000
0.02043
7
0.01382
0.00000
-0.07365
8
-0.01382
0.00000
-0.07365
9
0.03913
0.00000
0.04631
10
-0.03913
0.00000
0.04631
11
0.01643
0.00000
-0.00718
12
-0.01643
0.00000
-0.00718
13
0.07389
0.00000
0.03469
14
-0.07389
0.00000
0.03469
15
-0.13312
0.00000
0.16169
16
0.13312
0.00000
0.16169
17
0.05266
0.00000
0.06869
18
-0.05266
0.00000
0.06869
19
-0.04219
-0.00055
-0.05863
20
-0.04219
0.00055
-0.05863
21
0.04219
-0.00055
-0.05863
22
0.04219
0.00055
-0.05863