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
0.00003
0.01706
0.00000
2
-0.07440
-0.01861
0.00000
3
0.07434
-0.01865
0.00000
4
-0.07440
0.01861
0.00000
5
0.07434
0.01864
0.00000
6
0.00003
-0.01706
0.00000
7
0.02372
-0.01999
0.00000
8
0.00032
0.01598
0.00000
9
0.00033
-0.01598
0.00000
10
0.02372
0.01999
0.00000
11
-0.02370
-0.01999
0.00000
12
-0.00031
0.01598
0.00000
13
-0.00032
-0.01597
0.00000
14
-0.02370
0.01999
0.00000
15
0.00003
0.51935
0.00000
16
-0.02232
-0.15066
0.00000
17
-0.04531
0.04122
0.00000
18
-0.04531
-0.04122
0.00000
19
-0.02232
0.15065
0.00000
20
0.02235
-0.15090
0.00000
21
0.04526
0.04120
0.00000
22
0.04526
-0.04119
0.00000
23
0.02235
0.15090
0.00000
24
0.00003
-0.51934
0.00000