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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04625
0.00000
0.00000
2
0.04625
0.00000
0.00000
3
-0.02630
0.10520
0.00000
4
0.02629
0.10520
0.00000
5
0.02631
-0.10520
0.00000
6
-0.02630
-0.10520
0.00000
7
0.02827
-0.00141
0.00000
8
-0.02827
-0.00141
0.00000
9
-0.02827
0.00141
0.00000
10
0.02827
0.00141
0.00000
11
0.02376
-0.01923
0.00000
12
-0.02376
-0.01923
0.00000
13
-0.02376
0.01923
0.00000
14
0.02376
0.01923
0.00000
15
-0.05754
0.00002
0.00000
16
0.05754
-0.00003
0.00000
17
0.03391
-0.22689
0.00000
18
-0.03391
-0.22687
0.00000
19
-0.03391
0.22691
0.00000
20
0.03391
0.22689
0.00000
21
-0.10428
-0.09741
0.00000
22
0.10429
-0.09742
0.00000
23
0.10428
0.09741
0.00000
24
-0.10428
0.09741
0.00000