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)
0.31400
Eigenvectors
#
X
Y
Z
1
0.01162
0.00000
-0.03149
2
-0.01162
0.00000
-0.03149
3
0.05059
0.00000
0.01618
4
0.14073
0.00000
0.00610
5
-0.05059
0.00000
0.01618
6
-0.14073
0.00000
0.00610
7
-0.01418
0.00000
-0.02812
8
0.03243
0.00000
-0.01553
9
0.01418
0.00000
-0.02812
10
-0.03243
0.00000
-0.01553
11
-0.02340
0.00000
-0.01070
12
-0.03501
0.00000
0.02363
13
0.02340
0.00000
-0.01070
14
0.03501
0.00000
0.02363
15
0.00500
0.00000
0.01434
16
0.01569
0.00000
0.01266
17
-0.00500
0.00000
0.01434
18
-0.01569
0.00000
0.01266
19
-0.01774
0.00000
0.01428
20
0.01774
0.00000
0.01428
21
0.03219
0.00000
-0.02990
22
-0.03219
0.00000
-0.02990
23
0.00541
0.00000
0.14510
24
0.01447
0.00000
-0.04562
25
-0.00541
0.00000
0.14510
26
-0.01447
0.00000
-0.04562
27
0.06751
0.00000
0.03830
28
-0.09382
0.00000
-0.00695
29
-0.06751
0.00000
0.03830
30
0.09382
0.00000
-0.00695
31
-0.22364
0.00000
0.12516
32
0.22364
0.00000
0.12516
33
0.09386
0.00000
0.08391
34
-0.09385
0.00000
0.08391