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)
-539.72189
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)
0.07208 b
(cm-1)
0.01516 c
(cm-1)
0.01252
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)
-0.20500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09943
0.00000
0.00000
2
0.01419
-0.01769
0.00000
3
0.01419
0.01769
0.00000
4
0.01418
0.01769
0.00000
5
0.01418
-0.01769
0.00000
6
-0.09943
0.00000
0.00000
7
0.08416
-0.00225
0.00000
8
-0.04690
0.06186
0.00000
9
-0.04689
-0.06186
0.00000
10
0.08416
0.00225
0.00000
11
0.08416
0.00225
0.00000
12
-0.04690
-0.06185
0.00000
13
-0.04689
0.06185
0.00000
14
0.08415
-0.00225
0.00000
15
-0.10112
0.00000
0.00000
16
0.08457
0.09208
0.00000
17
-0.05464
-0.05673
0.00000
18
-0.05463
0.05673
0.00000
19
0.08457
-0.09208
0.00000
20
0.08458
-0.09208
0.00000
21
-0.05464
0.05673
0.00000
22
-0.05463
-0.05673
0.00000
23
0.08457
0.09208
0.00000
24
-0.10112
0.00000
0.00000