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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.12700
Diff mu Y
(Debye)
0.25000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03260
-0.03976
0.00000
2
-0.03260
-0.03976
0.00000
3
0.03395
-0.05737
0.00000
4
-0.05487
0.02852
0.00000
5
-0.05487
0.02852
0.00000
6
0.03395
-0.05737
0.00000
7
0.02009
0.01670
0.00000
8
-0.00551
0.01673
0.00000
9
-0.00551
0.01673
0.00000
10
0.02009
0.01670
0.00000
11
0.05870
-0.06563
0.00000
12
-0.03310
0.06812
0.00000
13
-0.03310
0.06812
0.00000
14
0.05870
-0.06563
0.00000
15
0.05236
0.02908
0.00000
16
0.05236
0.02908
0.00000
17
-0.00013
-0.06543
0.00000
18
-0.00013
-0.06543
0.00000
19
-0.02682
0.01659
0.00000
20
-0.02682
0.01659
0.00000
21
-0.00715
0.03915
0.00000
22
-0.00716
0.03915
0.00000
23
0.12454
0.09238
0.00000
24
0.12454
0.09239
0.00000
25
-0.05557
-0.11573
0.00001
26
-0.05557
-0.11573
-0.00001
27
-0.07616
0.03232
-0.00001
28
-0.07616
0.03231
0.00001
29
-0.04450
0.12501
0.00000
30
-0.04450
0.12501
0.00000
31
0.00422
-0.03237
0.00000
32
0.00422
-0.03237
0.00000
33
-0.01081
0.05681
0.00001
34
-0.01081
0.05681
-0.00001