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)
-1.50200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00004
0.00000
2
0.00000
-0.00004
0.00000
3
-0.00001
0.00081
0.00000
4
0.00001
0.00081
0.00000
5
-0.00001
0.00081
0.00000
6
0.00001
0.00081
0.00000
7
0.01748
0.00203
0.00000
8
-0.01748
0.00203
0.00000
9
0.01748
0.00203
0.00000
10
-0.01748
0.00203
0.00000
11
0.01920
-0.03457
0.00000
12
-0.01920
-0.03457
0.00000
13
0.01920
-0.03457
0.00000
14
-0.01920
-0.03456
0.00000
15
0.00000
-0.00135
0.00000
16
0.00000
-0.00135
0.00000
17
-0.18600
-0.00217
0.00000
18
0.18599
-0.00217
0.00000
19
-0.18599
-0.00217
0.00000
20
0.18599
-0.00217
0.00000
21
-0.21494
0.38073
0.00000
22
0.21494
0.38072
0.00000
23
-0.21494
0.38072
0.00000
24
0.21493
0.38072
0.00000