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)
-539.57243
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)
0.07136 b
(cm-1)
0.01501 c
(cm-1)
0.01240
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)
0.23300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00242
0.00000
2
0.00000
0.00242
0.00000
3
0.02955
-0.06184
0.00000
4
-0.02955
-0.06184
0.00000
5
0.02955
-0.06184
0.00000
6
-0.02955
-0.06184
0.00000
7
-0.02035
0.01763
0.00000
8
0.02035
0.01763
0.00000
9
-0.02035
0.01762
0.00000
10
0.02035
0.01762
0.00000
11
0.00245
0.01329
0.00000
12
-0.00245
0.01329
0.00000
13
0.00246
0.01330
0.00000
14
-0.00246
0.01330
0.00000
15
0.00000
0.40672
0.00000
16
0.00000
0.40672
0.00000
17
-0.02398
-0.01394
0.00000
18
0.02399
-0.01394
0.00000
19
-0.02398
-0.01404
0.00000
20
0.02399
-0.01405
0.00000
21
0.26605
0.16425
0.00000
22
-0.26605
0.16425
0.00000
23
0.26617
0.16433
0.00000
24
-0.26618
0.16433
0.00000