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)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.31800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00853
0.00000
-0.08167
2
-0.00853
0.00000
0.08167
3
0.04527
0.00000
-0.08928
4
-0.05704
0.00000
0.02716
5
0.04527
0.00000
0.08928
6
-0.05704
0.00000
-0.02716
7
0.00434
0.00000
-0.02308
8
-0.02872
0.00000
-0.07152
9
0.00434
0.00000
0.02308
10
-0.02872
0.00000
0.07152
11
-0.02061
0.00000
0.02941
12
0.02194
0.00000
-0.01408
13
-0.02061
0.00000
-0.02941
14
0.02194
0.00000
0.01408
15
-0.00767
0.00000
0.00284
16
0.03585
0.00000
0.01255
17
-0.00767
0.00000
-0.00284
18
0.03585
0.00000
-0.01255
19
-0.00866
0.00000
0.07689
20
-0.00866
0.00000
-0.07689
21
0.00632
0.00000
-0.01246
22
0.00632
0.00000
0.01246
23
-0.00978
0.00000
-0.06215
24
0.03873
0.00000
0.05073
25
-0.00978
0.00000
0.06215
26
0.03873
0.00000
-0.05073
27
0.00398
0.00000
0.04680
28
0.08571
0.00000
0.01942
29
0.00398
0.00000
-0.04680
30
0.08571
0.00000
-0.01942
31
-0.00837
0.00000
-0.09059
32
-0.00836
0.00000
0.09059
33
0.09819
0.00000
0.14414
34
0.09820
0.00000
-0.14414