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)
-0.49500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05419
0.00000
0.00000
2
-0.05419
0.00000
0.00000
3
0.00072
0.00270
0.00000
4
0.00072
-0.00270
0.00000
5
0.00072
0.00270
0.00000
6
0.00072
-0.00270
0.00000
7
0.01305
0.00007
0.00000
8
0.01305
-0.00007
0.00000
9
0.01305
0.00007
0.00000
10
0.01305
-0.00007
0.00000
11
-0.00393
0.00628
0.00000
12
-0.00393
-0.00628
0.00000
13
-0.00393
0.00628
0.00000
14
-0.00393
-0.00628
0.00000
15
0.62530
0.00000
0.00000
16
0.62531
0.00000
0.00000
17
-0.15334
-0.00161
0.00000
18
-0.15335
0.00161
0.00000
19
-0.15334
-0.00161
0.00000
20
-0.15335
0.00161
0.00000
21
0.04609
-0.08160
0.00000
22
0.04610
0.08160
0.00000
23
0.04609
-0.08160
0.00000
24
0.04610
0.08160
0.00000