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)
0.16300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01082
0.00000
2
0.10554
-0.00374
0.00000
3
-0.10553
-0.00374
0.00000
4
-0.10554
-0.00374
0.00000
5
0.10553
-0.00373
0.00000
6
0.00000
-0.01081
0.00000
7
-0.00022
0.05599
0.00000
8
-0.03924
-0.03777
0.00000
9
0.03926
-0.03777
0.00000
10
0.00020
0.05597
0.00000
11
0.00021
0.05598
0.00000
12
0.03923
-0.03776
0.00000
13
-0.03925
-0.03777
0.00000
14
-0.00020
0.05596
0.00000
15
0.00000
-0.28220
0.00000
16
-0.00385
0.04210
0.00000
17
-0.01600
-0.00901
0.00000
18
0.01607
-0.00896
0.00000
19
0.00387
0.04216
0.00000
20
0.00385
0.04210
0.00000
21
0.01600
-0.00900
0.00000
22
-0.01608
-0.00896
0.00000
23
-0.00387
0.04216
0.00000
24
0.00000
-0.28224
0.00000