Charge: 0
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
Electronic States
Energy
(eV)
-539.72189
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)
0.07208 b
(cm-1)
0.01516 c
(cm-1)
0.01252
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)
-0.39300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05099
0.00000
0.00000
2
0.00057
0.00224
0.00000
3
0.00057
-0.00224
0.00000
4
0.00057
-0.00224
0.00000
5
0.00057
0.00224
0.00000
6
-0.05100
0.00000
0.00000
7
0.01685
0.00007
0.00000
8
-0.00518
0.00837
0.00000
9
-0.00518
-0.00836
0.00000
10
0.01683
-0.00007
0.00000
11
0.01685
-0.00007
0.00000
12
-0.00518
-0.00837
0.00000
13
-0.00518
0.00836
0.00000
14
0.01683
0.00007
0.00000
15
0.59017
0.00000
0.00000
16
-0.19728
0.00101
0.00000
17
0.06013
0.10626
0.00000
18
0.06004
-0.10610
0.00000
19
-0.19713
-0.00102
0.00000
20
-0.19729
-0.00101
0.00000
21
0.06013
-0.10626
0.00000
22
0.06005
0.10611
0.00000
23
-0.19714
0.00102
0.00000
24
0.59036
0.00000
0.00000