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)
-2.14800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06959
0.00000
2
0.00000
-0.06959
0.00000
3
-0.03318
0.06089
0.00000
4
0.03318
0.06089
0.00000
5
-0.03319
0.06089
0.00000
6
0.03319
0.06089
0.00000
7
0.03441
-0.04723
0.00000
8
-0.03441
-0.04723
0.00000
9
0.03441
-0.04723
0.00000
10
-0.03441
-0.04723
0.00000
11
-0.07634
-0.00439
0.00000
12
0.07634
-0.00440
0.00000
13
-0.07635
-0.00440
0.00000
14
0.07635
-0.00440
0.00000
15
0.00000
0.15733
0.00000
16
0.00000
0.15733
0.00000
17
0.04314
0.11257
0.00000
18
-0.04314
0.11257
0.00000
19
0.04315
0.11258
0.00000
20
-0.04314
0.11257
0.00000
21
0.10984
0.11271
0.00000
22
-0.10984
0.11271
0.00000
23
0.10985
0.11272
0.00000
24
-0.10985
0.11272
0.00000