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)
0.31600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04713
0.00000
0.00000
2
-0.04713
0.00000
0.00000
3
-0.00038
0.00238
0.00000
4
-0.00038
-0.00238
0.00000
5
-0.00038
0.00238
0.00000
6
-0.00038
-0.00238
0.00000
7
0.00935
0.00023
0.00000
8
0.00935
-0.00023
0.00000
9
0.00935
0.00023
0.00000
10
0.00935
-0.00023
0.00000
11
0.00968
-0.01901
0.00000
12
0.00968
0.01901
0.00000
13
0.00968
-0.01901
0.00000
14
0.00968
0.01901
0.00000
15
0.56042
0.00000
0.00000
16
0.56042
0.00000
0.00000
17
-0.09910
-0.00062
0.00000
18
-0.09910
0.00062
0.00000
19
-0.09910
-0.00062
0.00000
20
-0.09910
0.00062
0.00000
21
-0.12270
0.21539
0.00000
22
-0.12270
-0.21539
0.00000
23
-0.12270
0.21539
0.00000
24
-0.12270
-0.21539
0.00000