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
-0.00843
0.02185
0.00000
2
0.00843
-0.02185
0.00000
3
0.00701
0.04819
0.00000
4
0.04026
0.00513
0.00000
5
-0.04026
-0.00513
0.00000
6
-0.00701
-0.04819
0.00000
7
-0.00880
0.03875
0.00000
8
-0.05250
0.03935
0.00000
9
0.05250
-0.03935
0.00000
10
0.00880
-0.03875
0.00000
11
0.01569
0.02265
0.00000
12
0.03821
-0.01661
0.00000
13
-0.03821
0.01661
0.00000
14
-0.01569
-0.02265
0.00000
15
0.07234
-0.01946
0.00000
16
-0.07234
0.01946
0.00000
17
-0.05050
0.02295
0.00000
18
0.05050
-0.02295
0.00000
19
-0.02965
-0.09881
0.00000
20
0.02965
0.09881
0.00000
21
0.06202
-0.00421
0.00000
22
-0.06202
0.00421
0.00000
23
0.11732
0.02396
0.00000
24
-0.11732
-0.02396
0.00000
25
-0.00225
0.06462
0.00000
26
0.00225
-0.06462
0.00000
27
-0.03888
-0.09413
0.00000
28
0.03888
0.09413
0.00000
29
-0.05848
0.11745
0.00000
30
0.05848
-0.11745
0.00000
31
0.06591
-0.10795
0.00000
32
-0.06591
0.10795
0.00000
33
0.05222
0.03107
0.00000
34
-0.05222
-0.03107
0.00000