Charge: 2
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+2
Electronic States
Energy
(eV)
-538.83499
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)
0.07163 b
(cm-1)
0.01506 c
(cm-1)
0.01244
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)
0.28200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.04481
0.00000
2
0.00000
0.04481
0.00000
3
-0.00145
-0.07005
0.00000
4
0.00145
-0.07006
0.00000
5
-0.00145
-0.07005
0.00000
6
0.00145
-0.07005
0.00000
7
-0.00395
0.03626
0.00000
8
0.00395
0.03626
0.00000
9
-0.00395
0.03626
0.00000
10
0.00395
0.03626
0.00000
11
-0.02349
-0.01940
0.00000
12
0.02349
-0.01940
0.00000
13
-0.02349
-0.01940
0.00000
14
0.02349
-0.01940
0.00000
15
0.00000
0.35409
0.00000
16
0.00000
0.35409
0.00000
17
-0.00624
0.26232
0.00000
18
0.00624
0.26231
0.00000
19
-0.00624
0.26232
0.00000
20
0.00624
0.26231
0.00000
21
-0.11801
-0.07274
0.00000
22
0.11799
-0.07274
0.00000
23
-0.11801
-0.07275
0.00000
24
0.11800
-0.07274
0.00000