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)
-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)
0.00000
Diff mu Y
(Debye)
0.18400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.04431
0.00000
2
-0.00983
-0.05923
0.00000
3
0.00983
-0.05923
0.00000
4
0.00984
-0.05923
0.00000
5
-0.00984
-0.05923
0.00000
6
0.00000
0.04432
0.00000
7
0.00194
0.03353
0.00000
8
-0.02403
-0.02383
0.00000
9
0.02404
-0.02383
0.00000
10
-0.00196
0.03353
0.00000
11
-0.00195
0.03353
0.00000
12
0.02403
-0.02384
0.00000
13
-0.02404
-0.02384
0.00000
14
0.00197
0.03353
0.00000
15
0.00000
0.29731
0.00000
16
-0.00125
0.28507
0.00000
17
0.17113
-0.10774
0.00000
18
-0.17119
-0.10777
0.00000
19
0.00127
0.28509
0.00000
20
0.00124
0.28506
0.00000
21
-0.17112
-0.10773
0.00000
22
0.17118
-0.10776
0.00000
23
-0.00126
0.28507
0.00000
24
0.00000
0.29728
0.00000