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)
-539.57243
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)
0.00000
Diff mu Y
(Debye)
0.19600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03463
0.00000
2
0.00000
0.03463
0.00000
3
-0.01252
-0.04633
0.00000
4
0.01252
-0.04633
0.00000
5
-0.01252
-0.04632
0.00000
6
0.01252
-0.04632
0.00000
7
0.00055
0.02536
0.00000
8
-0.00055
0.02536
0.00000
9
0.00055
0.02536
0.00000
10
-0.00056
0.02536
0.00000
11
-0.02412
-0.02135
0.00000
12
0.02412
-0.02135
0.00000
13
-0.02412
-0.02135
0.00000
14
0.02412
-0.02135
0.00000
15
0.00000
0.26875
0.00000
16
0.00000
0.26875
0.00000
17
-0.00078
0.29821
0.00000
18
0.00078
0.29823
0.00000
19
-0.00078
0.29822
0.00000
20
0.00078
0.29824
0.00000
21
-0.22411
-0.13487
0.00000
22
0.22414
-0.13488
0.00000
23
-0.22414
-0.13488
0.00000
24
0.22416
-0.13490
0.00000