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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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
0.00022
-0.00004
0.00000
2
-0.00022
0.00004
0.00000
3
-0.00027
-0.00011
0.00000
4
-0.00007
-0.00233
0.00000
5
0.00007
0.00233
0.00000
6
0.00027
0.00011
0.00000
7
-0.00046
0.00114
0.00000
8
0.02085
0.00456
0.00000
9
-0.02085
-0.00456
0.00000
10
0.00046
-0.00114
0.00000
11
0.00046
0.00121
0.00000
12
-0.03446
-0.00707
0.00000
13
0.03446
0.00707
0.00000
14
-0.00046
-0.00121
0.00000
15
-0.02184
0.02369
0.00000
16
0.02184
-0.02369
0.00000
17
-0.00106
0.00145
0.00000
18
0.00106
-0.00145
0.00000
19
-0.00675
-0.01810
0.00000
20
0.00675
0.01810
0.00000
21
0.00956
0.00218
0.00000
22
-0.00956
-0.00218
0.00000
23
0.26154
-0.29175
0.00000
24
-0.26154
0.29175
0.00000
25
0.01998
-0.02535
0.00000
26
-0.01998
0.02535
0.00000
27
0.07082
0.21418
0.00000
28
-0.07082
-0.21418
0.00000
29
-0.41395
-0.08318
0.00000
30
0.41395
0.08318
0.00000
31
0.23951
0.04885
0.00000
32
-0.23951
-0.04885
0.00000
33
-0.11715
-0.02578
0.00000
34
0.11715
0.02578
0.00000