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)
-0.55100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02771
0.00000
0.00000
2
0.00057
0.00038
0.00000
3
0.00057
-0.00038
0.00000
4
0.00057
-0.00038
0.00000
5
0.00057
0.00038
0.00000
6
-0.02788
0.00000
0.00000
7
-0.02567
0.00024
0.00000
8
0.01227
-0.02128
0.00000
9
0.01227
0.02127
0.00000
10
-0.02565
-0.00024
0.00000
11
-0.02567
-0.00024
0.00000
12
0.01227
0.02127
0.00000
13
0.01227
-0.02127
0.00000
14
-0.02565
0.00024
0.00000
15
0.32020
0.00000
0.00000
16
0.30175
0.00170
0.00000
17
-0.14401
-0.25522
0.00000
18
-0.14399
0.25518
0.00000
19
0.30146
-0.00171
0.00000
20
0.30175
-0.00170
0.00000
21
-0.14403
0.25524
0.00000
22
-0.14401
-0.25520
0.00000
23
0.30148
0.00171
0.00000
24
0.32223
0.00000
0.00000