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)
0.38300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04086
0.00000
0.00000
2
0.02734
-0.01772
0.00000
3
0.02734
0.01772
0.00000
4
0.02733
0.01772
0.00000
5
0.02734
-0.01772
0.00000
6
-0.04086
0.00000
0.00000
7
-0.04768
-0.03022
0.00000
8
0.02380
0.01470
0.00000
9
0.02379
-0.01470
0.00000
10
-0.04767
0.03021
0.00000
11
-0.04768
0.03021
0.00000
12
0.02380
-0.01471
0.00000
13
0.02379
0.01470
0.00000
14
-0.04767
-0.03021
0.00000
15
-0.04281
0.00000
0.00000
16
-0.05119
0.27258
0.00000
17
0.27473
-0.15797
0.00000
18
0.27468
0.15794
0.00000
19
-0.05118
-0.27253
0.00000
20
-0.05119
-0.27258
0.00000
21
0.27473
0.15798
0.00000
22
0.27468
-0.15794
0.00000
23
-0.05118
0.27253
0.00000
24
-0.04281
0.00000
0.00000