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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.08515
0.00000
2
0.00888
-0.04375
0.00000
3
-0.00888
-0.04375
0.00000
4
0.00887
0.04375
0.00000
5
-0.00887
0.04375
0.00000
6
0.00000
0.08516
0.00000
7
0.05721
0.01636
0.00000
8
-0.04123
0.08739
0.00000
9
-0.04122
-0.08739
0.00000
10
0.05721
-0.01636
0.00000
11
-0.05722
0.01636
0.00000
12
0.04123
0.08739
0.00000
13
0.04123
-0.08739
0.00000
14
-0.05721
-0.01636
0.00000
15
0.00000
-0.13498
0.00000
16
-0.05612
-0.04416
0.00000
17
-0.00946
0.11632
0.00000
18
-0.00948
-0.11633
0.00000
19
-0.05611
0.04415
0.00000
20
0.05611
-0.04416
0.00000
21
0.00946
0.11632
0.00000
22
0.00948
-0.11632
0.00000
23
0.05610
0.04414
0.00000
24
0.00000
0.13500
0.00000