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)
-538.83499
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)
0.07163 b
(cm-1)
0.01506 c
(cm-1)
0.01244
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
-0.04738
0.00000
0.00000
2
0.04738
0.00000
0.00000
3
-0.02468
0.10942
0.00000
4
0.02468
0.10942
0.00000
5
0.02468
-0.10942
0.00000
6
-0.02468
-0.10942
0.00000
7
0.02776
-0.01198
0.00000
8
-0.02776
-0.01198
0.00000
9
-0.02776
0.01198
0.00000
10
0.02776
0.01198
0.00000
11
0.01680
-0.01345
0.00000
12
-0.01680
-0.01345
0.00000
13
-0.01680
0.01345
0.00000
14
0.01680
0.01345
0.00000
15
-0.05958
-0.00001
0.00000
16
0.05958
0.00001
0.00000
17
0.03321
-0.23313
0.00000
18
-0.03321
-0.23314
0.00000
19
-0.03321
0.23314
0.00000
20
0.03321
0.23314
0.00000
21
-0.07807
-0.07173
0.00000
22
0.07807
-0.07173
0.00000
23
0.07807
0.07173
0.00000
24
-0.07807
0.07173
0.00000