Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
Electronic States
Energy
(eV)
-539.72189
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)
0.07208 b
(cm-1)
0.01516 c
(cm-1)
0.01252
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
-0.00011
0.00000
2
0.00015
-0.00057
0.00000
3
-0.00015
-0.00057
0.00000
4
0.00015
0.00057
0.00000
5
-0.00015
0.00057
0.00000
6
0.00000
0.00011
0.00000
7
-0.03130
0.00011
0.00000
8
0.01292
-0.02193
0.00000
9
0.01292
0.02193
0.00000
10
-0.03132
-0.00011
0.00000
11
0.03130
0.00011
0.00000
12
-0.01292
-0.02193
0.00000
13
-0.01292
0.02194
0.00000
14
0.03132
-0.00011
0.00000
15
0.00001
0.00190
0.00000
16
-0.36723
-0.00092
0.00000
17
0.15055
0.26651
0.00000
18
0.15058
-0.26658
0.00000
19
-0.36751
0.00092
0.00000
20
0.36721
-0.00092
0.00000
21
-0.15053
0.26649
0.00000
22
-0.15057
-0.26656
0.00000
23
0.36750
0.00092
0.00000
24
-0.00001
-0.00190
0.00000