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)
1.19000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00549
0.00000
0.00000
2
-0.00056
0.00089
0.00000
3
-0.00056
-0.00089
0.00000
4
-0.00056
-0.00089
0.00000
5
-0.00056
0.00089
0.00000
6
0.00547
0.00000
0.00000
7
0.02795
0.00133
0.00000
8
0.01324
-0.02845
0.00000
9
0.01323
0.02845
0.00000
10
0.02796
-0.00133
0.00000
11
0.02794
-0.00133
0.00000
12
0.01323
0.02845
0.00000
13
0.01323
-0.02844
0.00000
14
0.02795
0.00133
0.00000
15
-0.06245
0.00000
0.00000
16
-0.31232
0.00026
0.00000
17
-0.17266
-0.31217
0.00000
18
-0.17263
0.31212
0.00000
19
-0.31243
-0.00026
0.00000
20
-0.31240
-0.00026
0.00000
21
-0.17271
0.31226
0.00000
22
-0.17268
-0.31221
0.00000
23
-0.31250
0.00026
0.00000
24
-0.06222
0.00000
0.00000