Charge: 0
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
Electronic States
Energy
(eV)
-538.83499
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)
0.07163 b
(cm-1)
0.01506 c
(cm-1)
0.01244
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)
0.22000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01190
0.00000
0.00000
2
-0.01190
0.00000
0.00000
3
-0.00455
0.08377
0.00000
4
-0.00455
-0.08377
0.00000
5
-0.00455
0.08377
0.00000
6
-0.00455
-0.08377
0.00000
7
0.03232
-0.02689
0.00000
8
0.03232
0.02690
0.00000
9
0.03232
-0.02689
0.00000
10
0.03232
0.02690
0.00000
11
-0.04542
-0.04781
0.00000
12
-0.04543
0.04781
0.00000
13
-0.04542
-0.04781
0.00000
14
-0.04543
0.04781
0.00000
15
-0.01814
0.00001
0.00000
16
-0.01814
0.00001
0.00000
17
0.04080
0.11850
0.00000
18
0.04080
-0.11856
0.00000
19
0.04080
0.11850
0.00000
20
0.04080
-0.11856
0.00000
21
0.24934
0.11191
0.00000
22
0.24936
-0.11194
0.00000
23
0.24933
0.11191
0.00000
24
0.24936
-0.11193
0.00000