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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02516
0.03777
0.00000
2
0.02516
-0.03777
0.00000
3
-0.00563
-0.01874
0.00000
4
0.00539
-0.03255
0.00000
5
-0.00540
0.03255
0.00000
6
0.00563
0.01874
0.00000
7
-0.01989
0.01380
0.00000
8
0.01836
-0.02897
0.00000
9
-0.01835
0.02897
0.00000
10
0.01988
-0.01380
0.00000
11
0.04335
0.00419
0.00000
12
-0.04174
0.07430
0.00000
13
0.04174
-0.07430
0.00000
14
-0.04334
-0.00419
0.00000
15
-0.07046
-0.01002
0.00000
16
0.07046
0.01002
0.00000
17
0.03251
0.02727
0.00000
18
-0.03251
-0.02727
0.00000
19
-0.02386
-0.03495
0.00000
20
0.02386
0.03495
0.00000
21
-0.00309
0.04801
0.00000
22
0.00309
-0.04801
0.00000
23
0.14616
0.19100
0.00000
24
-0.14616
-0.19101
0.00000
25
-0.07992
-0.07551
0.00000
26
0.07992
0.07552
0.00000
27
0.01935
-0.05660
0.00000
28
-0.01936
0.05660
0.00000
29
-0.02947
0.29744
0.00000
30
0.02948
-0.29745
0.00000
31
0.00454
-0.09534
0.00000
32
-0.00454
0.09534
0.00000
33
0.03639
-0.14183
0.00000
34
-0.03639
0.14183
0.00000