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)
0.77200
Diff mu Y
(Debye)
-0.57800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03494
0.08901
0.00000
2
-0.03494
0.08901
0.00000
3
-0.01445
0.03559
0.00000
4
0.01118
-0.01997
0.00000
5
0.01118
-0.01997
0.00000
6
-0.01445
0.03559
0.00000
7
-0.00763
-0.02785
0.00000
8
0.01901
-0.04846
0.00000
9
0.01901
-0.04846
0.00000
10
-0.00763
-0.02785
0.00000
11
-0.00565
-0.02379
0.00000
12
0.04779
-0.00220
0.00000
13
0.04779
-0.00220
0.00000
14
-0.00565
-0.02379
0.00000
15
-0.02011
0.03349
0.00000
16
-0.02011
0.03349
0.00000
17
0.05861
-0.09077
0.00000
18
0.05861
-0.09077
0.00000
19
0.00877
0.06270
0.00000
20
0.00877
0.06270
0.00000
21
-0.05662
0.00520
0.00000
22
-0.05662
0.00520
0.00000
23
-0.03637
0.02286
0.00000
24
-0.03637
0.02286
0.00000
25
-0.00317
-0.14445
0.00000
26
-0.00317
-0.14445
0.00000
27
-0.05328
0.08363
0.00000
28
-0.05328
0.08363
0.00000
29
0.05392
-0.03748
0.00000
30
0.05392
-0.03748
0.00000
31
0.01947
-0.05529
0.00000
32
0.01947
-0.05529
0.00000
33
-0.05151
-0.02347
0.00000
34
-0.05151
-0.02347
0.00000