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)
0.31600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.11199
0.00000
2
0.05781
0.04691
0.00000
3
-0.05782
0.04691
0.00000
4
-0.05782
0.04691
0.00000
5
0.05782
0.04691
0.00000
6
0.00000
-0.11199
0.00000
7
-0.03155
-0.03248
0.00000
8
0.03265
0.02311
0.00000
9
-0.03266
0.02311
0.00000
10
0.03156
-0.03248
0.00000
11
0.03155
-0.03247
0.00000
12
-0.03265
0.02311
0.00000
13
0.03266
0.02311
0.00000
14
-0.03156
-0.03247
0.00000
15
0.00000
0.24999
0.00000
16
0.03420
0.14170
0.00000
17
0.09597
-0.04703
0.00000
18
-0.09598
-0.04703
0.00000
19
-0.03421
0.14169
0.00000
20
-0.03420
0.14171
0.00000
21
-0.09596
-0.04702
0.00000
22
0.09597
-0.04703
0.00000
23
0.03421
0.14171
0.00000
24
0.00000
0.25000
0.00000