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
0.00000
-0.10173
0.00000
2
-0.04936
-0.05917
0.00000
3
0.04936
-0.05917
0.00000
4
-0.04937
0.05916
0.00000
5
0.04936
0.05916
0.00000
6
0.00000
0.10172
0.00000
7
0.01577
-0.03751
0.00000
8
0.06126
-0.05034
0.00000
9
0.06126
0.05035
0.00000
10
0.01575
0.03751
0.00000
11
-0.01577
-0.03751
0.00000
12
-0.06126
-0.05034
0.00000
13
-0.06126
0.05035
0.00000
14
-0.01575
0.03751
0.00000
15
0.00000
-0.16153
0.00000
16
-0.01556
0.04866
0.00000
17
-0.02746
-0.06906
0.00000
18
-0.02746
0.06907
0.00000
19
-0.01555
-0.04866
0.00000
20
0.01556
0.04866
0.00000
21
0.02746
-0.06906
0.00000
22
0.02746
0.06907
0.00000
23
0.01555
-0.04866
0.00000
24
0.00000
0.16152
0.00000