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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02860
0.00000
0.00000
2
0.01534
0.05484
0.00000
3
0.01534
-0.05484
0.00000
4
-0.01534
0.05483
0.00000
5
-0.01534
-0.05483
0.00000
6
0.02860
0.00000
0.00000
7
0.02580
-0.06016
0.00000
8
-0.07649
-0.00066
0.00000
9
0.07648
-0.00066
0.00000
10
-0.02580
-0.06015
0.00000
11
0.02581
0.06016
0.00000
12
-0.07649
0.00066
0.00000
13
0.07649
0.00066
0.00000
14
-0.02581
0.06016
0.00000
15
-0.03082
0.00000
0.00000
16
0.02899
-0.21924
0.00000
17
0.13661
-0.12597
0.00000
18
-0.13660
-0.12597
0.00000
19
-0.02899
-0.21924
0.00000
20
0.02899
0.21922
0.00000
21
0.13660
0.12596
0.00000
22
-0.13658
0.12595
0.00000
23
-0.02899
0.21921
0.00000
24
0.03082
-0.00001
0.00000