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)
-0.28300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01054
0.00000
0.00705
2
-0.01054
0.00000
-0.00705
3
0.01301
0.00000
-0.00269
4
0.00925
0.00000
0.00642
5
0.01301
0.00000
0.00269
6
0.00926
0.00000
-0.00642
7
-0.03440
0.00000
-0.01501
8
-0.00195
0.00000
0.00588
9
-0.03440
0.00000
0.01501
10
-0.00195
0.00000
-0.00588
11
-0.03703
0.00000
-0.01104
12
-0.01609
0.00000
-0.00465
13
-0.03703
0.00000
0.01104
14
-0.01609
0.00000
0.00465
15
0.02740
0.00000
-0.03303
16
0.00972
0.00000
-0.01001
17
0.02740
0.00000
0.03303
18
0.00972
0.00000
0.01001
19
0.06195
0.00000
0.08032
20
0.06195
0.00000
-0.08032
21
-0.01485
0.00000
0.01496
22
-0.01485
0.00000
-0.01496
23
0.03358
0.00000
0.15420
24
0.01044
0.00000
0.03909
25
0.03358
0.00000
-0.15419
26
0.01044
0.00000
-0.03909
27
0.18406
0.00000
0.12045
28
0.07495
0.00000
0.05082
29
0.18406
0.00000
-0.12045
30
0.07495
0.00000
-0.05082
31
0.03939
0.00000
-0.01459
32
0.03939
0.00000
0.01459
33
-0.41953
0.00000
-0.19822
34
-0.41953
0.00000
0.19822