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)
0.38400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.08545
0.00000
2
-0.03748
0.04678
0.00000
3
0.03748
0.04678
0.00000
4
0.03749
0.04678
0.00000
5
-0.03748
0.04678
0.00000
6
0.00000
-0.08545
0.00000
7
0.04611
0.02181
0.00000
8
-0.08220
-0.03855
0.00000
9
0.08221
-0.03856
0.00000
10
-0.04611
0.02182
0.00000
11
-0.04610
0.02181
0.00000
12
0.08219
-0.03855
0.00000
13
-0.08220
-0.03855
0.00000
14
0.04611
0.02182
0.00000
15
0.00000
0.19489
0.00000
16
-0.05030
-0.00275
0.00000
17
-0.08928
0.05632
0.00000
18
0.08929
0.05632
0.00000
19
0.05031
-0.00276
0.00000
20
0.05030
-0.00275
0.00000
21
0.08930
0.05633
0.00000
22
-0.08930
0.05633
0.00000
23
-0.05031
-0.00276
0.00000
24
0.00000
0.19489
0.00000