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)
-539.57243
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)
0.07136 b
(cm-1)
0.01501 c
(cm-1)
0.01240
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)
0.38600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05630
0.00000
0.00000
2
0.05630
0.00000
0.00000
3
-0.07322
0.04682
0.00000
4
-0.07322
-0.04681
0.00000
5
-0.07324
0.04681
0.00000
6
-0.07324
-0.04681
0.00000
7
0.03021
0.00197
0.00000
8
0.03021
-0.00197
0.00000
9
0.03022
0.00197
0.00000
10
0.03022
-0.00197
0.00000
11
0.01641
0.00401
0.00000
12
0.01641
-0.00401
0.00000
13
0.01641
0.00402
0.00000
14
0.01641
-0.00402
0.00000
15
0.05482
-0.00007
0.00000
16
0.05482
0.00006
0.00000
17
0.03376
-0.33653
0.00000
18
0.03376
0.33652
0.00000
19
0.03377
-0.33657
0.00000
20
0.03376
0.33657
0.00000
21
-0.07964
-0.05183
0.00000
22
-0.07964
0.05183
0.00000
23
-0.07963
-0.05182
0.00000
24
-0.07963
0.05182
0.00000