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)
-2.03900
Diff mu Y
(Debye)
0.16100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00365
0.00613
0.00000
2
-0.00365
0.00613
0.00000
3
0.04757
-0.00646
0.00000
4
0.00711
-0.04001
0.00000
5
0.00711
-0.04001
0.00000
6
0.04757
-0.00646
0.00000
7
-0.00845
-0.07107
0.00000
8
-0.01483
0.01170
0.00000
9
-0.01483
0.01170
0.00000
10
-0.00845
-0.07107
0.00000
11
0.06412
0.05341
0.00000
12
-0.02274
0.01312
0.00000
13
-0.02274
0.01312
0.00000
14
0.06412
0.05341
0.00000
15
-0.03539
0.00158
0.00000
16
-0.03539
0.00158
0.00000
17
0.00712
-0.01070
0.00000
18
0.00712
-0.01070
0.00000
19
-0.00975
-0.00271
0.00000
20
-0.00975
-0.00271
0.00000
21
0.01539
0.00662
0.00000
22
0.01539
0.00662
0.00000
23
-0.18950
-0.12340
0.00000
24
-0.18950
-0.12340
0.00000
25
-0.03681
-0.05351
0.00000
26
-0.03681
-0.05351
0.00000
27
-0.21680
0.07031
0.00000
28
-0.21680
0.07031
0.00000
29
-0.04307
0.13821
0.00000
30
-0.04307
0.13821
0.00000
31
-0.07659
0.36417
0.00000
32
-0.07659
0.36417
0.00000
33
0.00908
0.06131
0.00000
34
0.00908
0.06131
0.00000