Charge: 2
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+2
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
-0.00261
0.00000
0.00000
2
0.00261
0.00000
0.00000
3
0.00019
-0.00081
0.00000
4
-0.00019
-0.00081
0.00000
5
-0.00019
0.00081
0.00000
6
0.00019
0.00081
0.00000
7
-0.01852
-0.00200
0.00000
8
0.01852
-0.00200
0.00000
9
0.01852
0.00200
0.00000
10
-0.01852
0.00200
0.00000
11
-0.01920
0.03403
0.00000
12
0.01920
0.03403
0.00000
13
0.01920
-0.03403
0.00000
14
-0.01920
-0.03403
0.00000
15
0.02997
0.00000
0.00000
16
-0.02997
0.00000
0.00000
17
0.19809
0.00190
0.00000
18
-0.19808
0.00190
0.00000
19
-0.19810
-0.00190
0.00000
20
0.19809
-0.00190
0.00000
21
0.21279
-0.37512
0.00000
22
-0.21279
-0.37512
0.00000
23
-0.21281
0.37515
0.00000
24
0.21280
0.37514
0.00000