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)
-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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04363
0.00000
0.00000
2
-0.04363
0.00001
0.00000
3
-0.08796
-0.01916
0.00000
4
0.08796
-0.01916
0.00000
5
0.08796
0.01915
0.00000
6
-0.08796
0.01915
0.00000
7
0.04276
0.04725
0.00000
8
-0.04276
0.04725
0.00000
9
-0.04276
-0.04725
0.00000
10
0.04277
-0.04725
0.00000
11
-0.07089
-0.03986
0.00000
12
0.07089
-0.03986
0.00000
13
0.07090
0.03987
0.00000
14
-0.07090
0.03987
0.00000
15
0.04436
-0.00001
0.00000
16
-0.04436
-0.00001
0.00000
17
0.04671
-0.06814
0.00000
18
-0.04671
-0.06814
0.00000
19
-0.04672
0.06815
0.00000
20
0.04672
0.06815
0.00000
21
0.06482
0.03302
0.00000
22
-0.06482
0.03302
0.00000
23
-0.06482
-0.03302
0.00000
24
0.06482
-0.03302
0.00000