Charge: 2
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+2
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)
0.17500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07335
0.00000
0.00000
2
-0.07335
0.00000
0.00000
3
-0.06363
0.01072
0.00001
4
-0.06363
-0.01072
0.00001
5
-0.06362
0.01072
-0.00001
6
-0.06362
-0.01072
-0.00001
7
0.01085
0.05839
0.00000
8
0.01085
-0.05839
0.00000
9
0.01085
0.05838
0.00000
10
0.01085
-0.05838
0.00000
11
0.08136
0.02448
0.00000
12
0.08136
-0.02448
0.00000
13
0.08136
0.02448
0.00000
14
0.08136
-0.02448
0.00000
15
-0.07377
0.00000
0.00000
16
-0.07377
0.00000
0.00000
17
0.01048
0.13530
0.00001
18
0.01048
-0.13530
0.00001
19
0.01048
0.13530
-0.00001
20
0.01048
-0.13530
-0.00001
21
0.12273
0.04810
-0.00001
22
0.12273
-0.04810
-0.00001
23
0.12273
0.04810
0.00001
24
0.12273
-0.04810
0.00001