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)
-539.46223
Description
D0
Multiplicity
2
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)
0.07234 b
(cm-1)
0.01515 c
(cm-1)
0.01253
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)
1.64900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01130
0.00000
2
0.00000
0.01130
0.00000
3
0.01683
-0.07287
0.00000
4
-0.01683
-0.07287
0.00000
5
0.01683
-0.07287
0.00000
6
-0.01683
-0.07287
0.00000
7
-0.02731
0.01785
0.00000
8
0.02731
0.01785
0.00000
9
-0.02731
0.01785
0.00000
10
0.02731
0.01785
0.00000
11
-0.00269
0.00913
0.00000
12
0.00269
0.00913
0.00000
13
-0.00269
0.00913
0.00000
14
0.00269
0.00913
0.00000
15
0.00000
0.49841
0.00000
16
0.00000
0.49841
0.00000
17
-0.03072
0.15398
0.00000
18
0.03072
0.15398
0.00000
19
-0.03072
0.15398
0.00000
20
0.03072
0.15398
0.00000
21
0.11095
0.07600
0.00000
22
-0.11095
0.07600
0.00000
23
0.11095
0.07600
0.00000
24
-0.11095
0.07600
0.00000