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)
-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)
1.69700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00031
0.00000
0.00000
2
0.00031
0.00000
0.00000
3
-0.01640
0.08862
0.00000
4
-0.01640
-0.08862
0.00000
5
-0.01640
0.08862
0.00000
6
-0.01640
-0.08862
0.00000
7
0.00964
-0.09277
0.00000
8
0.00964
0.09278
0.00000
9
0.00964
-0.09277
0.00000
10
0.00964
0.09278
0.00000
11
0.00794
0.03870
0.00000
12
0.00793
-0.03870
0.00000
13
0.00794
0.03870
0.00000
14
0.00793
-0.03870
0.00000
15
-0.00424
0.00000
0.00000
16
-0.00424
0.00000
0.00000
17
0.01646
0.16583
0.00000
18
0.01646
-0.16584
0.00000
19
0.01646
0.16583
0.00000
20
0.01646
-0.16584
0.00000
21
-0.03025
0.02205
0.00000
22
-0.03024
-0.02206
0.00000
23
-0.03024
0.02205
0.00000
24
-0.03024
-0.02206
0.00000