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)
0.39800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01734
0.00000
2
-0.02153
0.01680
0.00000
3
0.02154
0.01680
0.00000
4
0.02154
0.01680
0.00000
5
-0.02154
0.01681
0.00000
6
0.00000
-0.01733
0.00000
7
0.03794
0.02602
0.00000
8
0.08714
-0.04835
0.00000
9
-0.08715
-0.04835
0.00000
10
-0.03794
0.02602
0.00000
11
-0.03795
0.02603
0.00000
12
-0.08716
-0.04836
0.00000
13
0.08717
-0.04837
0.00000
14
0.03795
0.02603
0.00000
15
0.00000
-0.11236
0.00000
16
-0.04204
0.22248
0.00000
17
-0.19060
0.00279
0.00000
18
0.19058
0.00277
0.00000
19
0.04203
0.22247
0.00000
20
0.04202
0.22242
0.00000
21
0.19056
0.00280
0.00000
22
-0.19053
0.00277
0.00000
23
-0.04202
0.22241
0.00000
24
0.00000
-0.11237
0.00000