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)
-844.32045
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)
-1.24000
Diff mu Y
(Debye)
0.08200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03087
0.01072
0.00000
2
-0.03087
0.01072
0.00000
3
-0.01190
-0.05944
0.00000
4
0.07708
0.04743
0.00000
5
0.07708
0.04743
0.00000
6
-0.01190
-0.05944
0.00000
7
0.05368
0.00581
0.00000
8
-0.03641
-0.04126
0.00000
9
-0.03641
-0.04126
0.00000
10
0.05368
0.00581
0.00000
11
-0.03398
0.05030
0.00000
12
-0.03130
-0.03914
0.00000
13
-0.03130
-0.03914
0.00000
14
-0.03398
0.05030
0.00000
15
0.03189
0.02305
0.00000
16
0.03189
0.02305
0.00000
17
0.03121
-0.01862
0.00000
18
0.03121
-0.01862
0.00000
19
-0.06144
0.00810
0.00000
20
-0.06144
0.00810
0.00000
21
0.00669
0.02305
0.00000
22
0.00669
0.02305
0.00000
23
-0.02732
-0.02195
0.00000
24
-0.02732
-0.02195
0.00000
25
-0.01213
-0.06260
0.00000
26
-0.01213
-0.06260
0.00000
27
0.18642
-0.08141
0.00000
28
0.18642
-0.08141
0.00000
29
-0.06206
0.12136
0.00000
30
-0.06206
0.12136
0.00000
31
-0.06724
0.09715
0.00000
32
-0.06724
0.09715
0.00000
33
0.04597
-0.17173
0.00000
34
0.04597
-0.17173
0.00000