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)
-539.57243
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)
0.38900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04059
0.00000
0.00000
2
-0.04059
0.00000
0.00000
3
0.02698
-0.01668
0.00000
4
0.02698
0.01669
0.00000
5
0.02698
-0.01668
0.00000
6
0.02698
0.01668
0.00000
7
-0.04666
-0.02853
0.00000
8
-0.04666
0.02853
0.00000
9
-0.04666
-0.02853
0.00000
10
-0.04666
0.02853
0.00000
11
0.02242
0.01253
0.00000
12
0.02242
-0.01252
0.00000
13
0.02243
0.01253
0.00000
14
0.02242
-0.01252
0.00000
15
-0.04254
0.00000
0.00000
16
-0.04254
-0.00001
0.00000
17
-0.04978
-0.27443
0.00000
18
-0.04978
0.27441
0.00000
19
-0.04978
-0.27444
0.00000
20
-0.04978
0.27441
0.00000
21
0.28001
0.16036
0.00000
22
0.27998
-0.16034
0.00000
23
0.28001
0.16036
0.00000
24
0.27998
-0.16034
0.00000