Charge: -1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q-1
Electronic States
Energy
(eV)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
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)
1.36600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00120
2
0.00000
0.00000
-0.00120
3
0.00000
0.00000
-0.00796
4
0.00000
0.00000
0.04941
5
0.00000
0.00000
0.04941
6
0.00000
0.00000
-0.00796
7
0.00000
0.00000
0.03339
8
0.00000
0.00000
-0.08970
9
0.00000
0.00000
-0.08970
10
0.00000
0.00000
0.03339
11
0.00000
0.00000
0.03251
12
0.00000
0.00000
-0.02460
13
0.00000
0.00000
-0.02460
14
0.00000
0.00000
0.03251
15
0.00000
0.00000
-0.03024
16
0.00000
0.00000
-0.03024
17
0.00000
0.00000
-0.03748
18
0.00000
0.00000
-0.03748
19
0.00000
0.00000
-0.01580
20
0.00000
0.00000
-0.01580
21
0.00000
0.00000
0.01438
22
0.00000
0.00000
0.01438
23
0.00000
0.00000
0.17362
24
0.00000
0.00000
0.17362
25
0.00000
0.00000
0.17699
26
0.00000
0.00000
0.17699
27
0.00000
0.00000
0.14544
28
0.00000
0.00000
0.14544
29
0.00000
0.00000
0.10647
30
0.00000
0.00000
0.10647
31
0.00000
0.00000
0.44165
32
0.00000
0.00000
0.44165
33
0.00000
0.00000
-0.12394
34
0.00000
0.00000
-0.12394