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)
-1.11600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00002
0.00000
2
-0.00006
0.00066
0.00000
3
0.00006
0.00066
0.00000
4
0.00006
0.00066
0.00000
5
-0.00006
0.00066
0.00000
6
0.00000
-0.00002
0.00000
7
0.01733
0.00184
0.00000
8
0.01919
-0.03426
0.00000
9
-0.01919
-0.03427
0.00000
10
-0.01733
0.00184
0.00000
11
-0.01731
0.00184
0.00000
12
-0.01918
-0.03424
0.00000
13
0.01918
-0.03425
0.00000
14
0.01731
0.00184
0.00000
15
-0.00002
-0.00106
0.00000
16
0.18673
-0.00156
0.00000
17
0.21560
0.38021
0.00000
18
-0.21562
0.38026
0.00000
19
-0.18673
-0.00156
0.00000
20
-0.18694
-0.00156
0.00000
21
-0.21573
0.38043
0.00000
22
0.21575
0.38048
0.00000
23
0.18693
-0.00156
0.00000
24
0.00001
-0.00106
0.00000