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
-0.02075
-0.00001
0.00000
2
0.02075
0.00001
0.00000
3
0.00099
-0.04271
0.00000
4
-0.00123
-0.04279
0.00000
5
-0.00099
0.04271
0.00000
6
0.00123
0.04279
0.00000
7
-0.01528
-0.08144
0.00000
8
0.01514
-0.08164
0.00000
9
0.01528
0.08144
0.00000
10
-0.01514
0.08164
0.00000
11
0.00038
-0.10190
0.00000
12
-0.00033
-0.10200
0.00000
13
-0.00038
0.10190
0.00000
14
0.00033
0.10200
0.00000
15
-0.01906
-0.00017
0.00000
16
0.01906
0.00017
0.00000
17
-0.01428
-0.09249
0.00000
18
0.01414
-0.09285
0.00000
19
0.01428
0.09249
0.00000
20
-0.01414
0.09285
0.00000
21
0.01630
-0.09376
0.00000
22
-0.01610
-0.09395
0.00000
23
-0.01629
0.09376
0.00000
24
0.01610
0.09395
0.00000