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
0.04546
0.00000
0.00000
2
-0.08983
-0.01962
0.00000
3
-0.08984
0.01961
0.00000
4
0.08984
-0.01962
0.00000
5
0.08984
0.01962
0.00000
6
-0.04546
0.00000
0.00000
7
0.04287
0.04737
0.00000
8
-0.06702
-0.03852
0.00000
9
0.06703
-0.03853
0.00000
10
-0.04288
0.04738
0.00000
11
0.04287
-0.04737
0.00000
12
-0.06703
0.03853
0.00000
13
0.06704
0.03853
0.00000
14
-0.04288
-0.04738
0.00000
15
0.04538
0.00000
0.00000
16
0.04582
0.08066
0.00000
17
0.06733
-0.03356
0.00000
18
-0.06734
-0.03356
0.00000
19
-0.04582
0.08067
0.00000
20
0.04581
-0.08066
0.00000
21
0.06733
0.03355
0.00000
22
-0.06733
0.03355
0.00000
23
-0.04582
-0.08067
0.00000
24
-0.04538
0.00000
0.00000