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)
-3.73600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07888
0.00000
-0.00988
2
-0.07888
0.00000
0.00988
3
0.02882
0.00000
0.02305
4
0.03667
0.00000
0.00297
5
0.02882
0.00000
-0.02305
6
0.03667
0.00000
-0.00297
7
-0.05265
0.00000
-0.01802
8
-0.08138
0.00000
0.01106
9
-0.05265
0.00000
0.01802
10
-0.08138
0.00000
-0.01106
11
0.05422
0.00000
0.02449
12
0.08342
0.00000
0.01530
13
0.05422
0.00000
-0.02449
14
0.08342
0.00000
-0.01530
15
-0.02505
0.00000
-0.01622
16
-0.03338
0.00000
0.01106
17
-0.02505
0.00000
0.01622
18
-0.03338
0.00000
-0.01106
19
0.01401
0.00000
0.00992
20
0.01401
0.00000
-0.00992
21
0.07142
0.00000
0.01685
22
0.07142
0.00000
-0.01685
23
-0.02787
0.00000
0.04114
24
-0.03784
0.00000
-0.03992
25
-0.02787
0.00000
-0.04114
26
-0.03784
0.00000
0.03992
27
-0.08789
0.00000
-0.06012
28
-0.09020
0.00000
-0.09642
29
-0.08789
0.00000
0.06012
30
-0.09020
0.00000
0.09642
31
0.08323
0.00000
-0.08297
32
0.08323
0.00000
0.08297
33
-0.04442
0.00000
-0.02377
34
-0.04442
0.00000
0.02377