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)
-1.41600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04825
0.00000
2
0.00000
-0.04825
0.00000
3
0.09347
0.04226
0.00000
4
-0.09347
0.04226
0.00000
5
0.09348
0.04226
0.00000
6
-0.09348
0.04226
0.00000
7
-0.02582
-0.04744
0.00000
8
0.02582
-0.04744
0.00000
9
-0.02582
-0.04744
0.00000
10
0.02582
-0.04744
0.00000
11
0.03652
0.02007
0.00000
12
-0.03652
0.02006
0.00000
13
0.03652
0.02007
0.00000
14
-0.03652
0.02006
0.00000
15
0.00000
-0.14309
0.00000
16
0.00000
-0.14309
0.00000
17
-0.02403
0.20271
0.00000
18
0.02402
0.20271
0.00000
19
-0.02403
0.20272
0.00000
20
0.02402
0.20272
0.00000
21
-0.03364
-0.02113
0.00000
22
0.03360
-0.02112
0.00000
23
-0.03363
-0.02113
0.00000
24
0.03360
-0.02111
0.00000