Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
Electronic States
Energy
(eV)
-461.49413
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05061 b
(cm-1)
0.03995 c
(cm-1)
0.02232
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.29247
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.37800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04495
0.00000
0.00000
2
-0.06772
0.00000
0.00000
3
0.06530
0.00000
-0.00673
4
0.06530
0.00000
0.00673
5
0.04046
0.00000
-0.04324
6
0.04046
0.00000
0.04324
7
-0.03612
0.00000
-0.04310
8
-0.03612
0.00000
0.04310
9
0.03636
0.00000
0.10898
10
0.03636
0.00000
-0.10898
11
-0.02243
0.00000
-0.01814
12
-0.02243
0.00000
0.01814
13
-0.17661
0.00000
-0.06393
14
-0.17661
0.00000
0.06393
15
-0.04780
0.00000
-0.03653
16
-0.04780
0.00000
0.03653
17
-0.17363
0.00000
-0.28729
18
-0.17363
0.00000
0.28729
19
0.07388
0.00000
0.04439
20
0.07388
0.00000
-0.04439