Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+1
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
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)
0.35300
Eigenvectors
#
X
Y
Z
1
-0.00191
0.00000
-0.05305
2
0.00191
0.00000
-0.05305
3
-0.02231
0.00000
-0.01726
4
-0.02741
0.00000
-0.00972
5
0.02231
0.00000
-0.01726
6
0.02741
0.00000
-0.00972
7
-0.03143
0.00000
0.04631
8
-0.02597
0.00000
0.02139
9
0.03143
0.00000
0.04631
10
0.02597
0.00000
0.02139
11
0.02180
0.00000
-0.04286
12
0.00981
0.00000
-0.04533
13
-0.02181
0.00000
-0.04286
14
-0.00981
0.00000
-0.04533
15
-0.00441
0.00000
0.01943
16
0.00181
0.00000
0.04095
17
0.00441
0.00000
0.01943
18
-0.00181
0.00000
0.04095
19
0.02078
0.00000
-0.01399
20
-0.02078
0.00000
-0.01399
21
-0.00762
0.00000
0.01121
22
0.00762
0.00000
0.01121
23
-0.00332
0.00000
0.25439
24
-0.00073
0.00000
0.28761
25
0.00332
0.00000
0.25439
26
0.00073
0.00000
0.28761
27
-0.11620
0.00000
-0.12268
28
-0.08741
0.00000
-0.10577
29
0.11620
0.00000
-0.12268
30
0.08741
0.00000
-0.10576
31
-0.10818
0.00000
0.06464
32
0.10818
0.00000
0.06464
33
0.27630
0.00000
0.13289
34
-0.27630
0.00000
0.13289