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)
-0.33900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07821
0.00000
0.00000
2
0.05915
0.07314
0.00000
3
0.05915
-0.07314
0.00000
4
0.05915
-0.07315
0.00000
5
0.05915
0.07315
0.00000
6
-0.07821
0.00000
0.00000
7
-0.02365
0.04499
0.00000
8
0.02190
-0.02697
0.00000
9
0.02190
0.02698
0.00000
10
-0.02365
-0.04499
0.00000
11
-0.02365
-0.04499
0.00000
12
0.02190
0.02697
0.00000
13
0.02190
-0.02698
0.00000
14
-0.02365
0.04499
0.00000
15
-0.08867
0.00001
0.00000
16
-0.02249
0.13466
0.00000
17
-0.15107
0.12545
0.00000
18
-0.15108
-0.12546
0.00000
19
-0.02249
-0.13469
0.00000
20
-0.02249
-0.13467
0.00000
21
-0.15108
-0.12546
0.00000
22
-0.15109
0.12547
0.00000
23
-0.02249
0.13470
0.00000
24
-0.08867
-0.00001
0.00000