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)
-538.15913
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)
0.07177 b
(cm-1)
0.01497 c
(cm-1)
0.01239
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
0.00000
0.00000
-0.01868
2
0.00000
0.00000
0.01868
3
0.00000
0.00000
0.12037
4
0.00000
0.00000
-0.12037
5
0.00000
0.00000
-0.12037
6
0.00000
0.00000
0.12037
7
0.00000
0.00000
-0.02354
8
0.00000
0.00000
0.02354
9
0.00000
0.00000
0.02354
10
0.00000
0.00000
-0.02354
11
0.00000
0.00000
0.02322
12
0.00000
0.00000
-0.02322
13
0.00000
0.00000
-0.02322
14
0.00000
0.00000
0.02322
15
0.00000
0.00000
-0.27297
16
0.00000
0.00000
0.27297
17
0.00000
0.00000
-0.14906
18
0.00000
0.00000
0.14906
19
0.00000
0.00000
0.14906
20
0.00000
0.00000
-0.14906
21
0.00000
0.00000
0.03122
22
0.00000
0.00000
-0.03122
23
0.00000
0.00000
-0.03122
24
0.00000
0.00000
0.03122