Charge: 2
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+2
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00897
-0.02915
0.00000
2
-0.00897
0.02915
0.00000
3
0.02951
-0.02249
0.00000
4
-0.00547
0.04930
0.00000
5
0.00547
-0.04930
0.00000
6
-0.02951
0.02249
0.00000
7
0.01272
0.06154
0.00000
8
-0.01838
-0.00529
0.00000
9
0.01838
0.00529
0.00000
10
-0.01272
-0.06154
0.00000
11
-0.02452
-0.01949
0.00000
12
0.00320
-0.02675
0.00000
13
-0.00320
0.02675
0.00000
14
0.02452
0.01949
0.00000
15
-0.01228
-0.01166
0.00000
16
0.01228
0.01166
0.00000
17
0.00798
0.01347
0.00000
18
-0.00798
-0.01347
0.00000
19
-0.01592
-0.00101
0.00000
20
0.01592
0.00101
0.00000
21
-0.02238
-0.01867
0.00000
22
0.02238
0.01867
0.00000
23
-0.06342
-0.05540
0.00000
24
0.06342
0.05540
0.00000
25
0.16023
0.14608
0.00000
26
-0.16023
-0.14608
0.00000
27
-0.09866
0.02825
0.00000
28
0.09866
-0.02825
0.00000
29
-0.05725
0.32535
0.00000
30
0.05725
-0.32535
0.00000
31
-0.03696
0.32116
0.00000
32
0.03696
-0.32116
0.00000
33
0.01911
-0.26371
0.00000
34
-0.01911
0.26371
0.00000