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)
0.18100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07323
0.00000
0.00000
2
-0.06395
0.01044
0.00000
3
-0.06396
-0.01044
0.00000
4
-0.06395
-0.01044
0.00000
5
-0.06396
0.01044
0.00000
6
-0.07323
0.00000
0.00000
7
0.01096
0.05808
0.00000
8
0.08152
0.02397
0.00000
9
0.08153
-0.02396
0.00000
10
0.01096
-0.05807
0.00000
11
0.01096
-0.05808
0.00000
12
0.08153
-0.02397
0.00000
13
0.08153
0.02396
0.00000
14
0.01096
0.05807
0.00000
15
-0.07373
0.00000
0.00000
16
0.01072
-0.13612
0.00000
17
0.12239
-0.04733
0.00000
18
0.12239
0.04732
0.00000
19
0.01072
0.13611
0.00000
20
0.01072
0.13612
0.00000
21
0.12239
0.04733
0.00000
22
0.12239
-0.04731
0.00000
23
0.01072
-0.13611
0.00000
24
-0.07373
0.00000
0.00000