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)
-539.57243
Description
S0
Multiplicity
1
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)
0.07136 b
(cm-1)
0.01501 c
(cm-1)
0.01240
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00010
0.00000
2
0.00000
-0.00010
0.00000
3
-0.00019
0.00079
0.00000
4
-0.00019
-0.00079
0.00000
5
0.00019
-0.00079
0.00000
6
0.00019
0.00079
0.00000
7
0.03104
-0.00011
0.00000
8
0.03104
0.00011
0.00000
9
-0.03104
0.00011
0.00000
10
-0.03104
-0.00011
0.00000
11
-0.01294
0.02191
0.00000
12
-0.01294
-0.02191
0.00000
13
0.01294
-0.02190
0.00000
14
0.01294
0.02190
0.00000
15
0.00000
-0.00190
0.00000
16
0.00000
0.00190
0.00000
17
-0.36524
-0.00007
0.00000
18
-0.36524
0.00007
0.00000
19
0.36524
0.00007
0.00000
20
0.36524
-0.00007
0.00000
21
0.15220
-0.26889
0.00000
22
0.15220
0.26889
0.00000
23
-0.15220
0.26889
0.00000
24
-0.15220
-0.26889
0.00000