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)
-538.15913
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)
0.07177 b
(cm-1)
0.01497 c
(cm-1)
0.01239
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)
-1.59600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00506
0.00000
0.00000
2
-0.00506
0.00000
0.00000
3
0.01504
-0.03236
0.00000
4
0.01505
0.03236
0.00000
5
0.01504
-0.03236
0.00000
6
0.01505
0.03236
0.00000
7
-0.03324
-0.00294
0.00000
8
-0.03324
0.00295
0.00000
9
-0.03324
-0.00294
0.00000
10
-0.03324
0.00295
0.00000
11
0.05229
0.06543
0.00000
12
0.05229
-0.06543
0.00000
13
0.05229
0.06543
0.00000
14
0.05229
-0.06543
0.00000
15
-0.00427
0.00000
0.00000
16
-0.00427
0.00000
0.00000
17
-0.04120
-0.02087
0.00000
18
-0.04121
0.02085
0.00000
19
-0.04120
-0.02087
0.00000
20
-0.04121
0.02085
0.00000
21
-0.33247
-0.15255
0.00000
22
-0.33247
0.15256
0.00000
23
-0.33246
-0.15255
0.00000
24
-0.33247
0.15255
0.00000