Charge: 2
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+2
Electronic States
Energy
(eV)
-538.83524
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.07213 b
(cm-1)
0.01479 c
(cm-1)
0.01228
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.26100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00775
0.00000
0.00000
2
0.00775
0.00000
0.00000
3
-0.00033
-0.06496
0.00000
4
-0.00033
0.06496
0.00000
5
-0.00033
-0.06496
0.00000
6
-0.00033
0.06496
0.00000
7
0.01773
0.09387
0.00000
8
0.01773
-0.09387
0.00000
9
0.01773
0.09387
0.00000
10
0.01773
-0.09387
0.00000
11
-0.03286
-0.06158
0.00000
12
-0.03286
0.06158
0.00000
13
-0.03286
-0.06158
0.00000
14
-0.03286
0.06158
0.00000
15
0.01123
0.00000
0.00000
16
0.01123
0.00000
0.00000
17
0.01880
-0.13077
0.00000
18
0.01880
0.13077
0.00000
19
0.01880
-0.13077
0.00000
20
0.01880
0.13077
0.00000
21
0.11351
0.01950
0.00000
22
0.11351
-0.01950
0.00000
23
0.11351
0.01950
0.00000
24
0.11351
-0.01950
0.00000