Charge: 2
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03373
0.00585
0.00000
2
0.03373
-0.00585
0.00000
3
0.02093
-0.03008
0.00000
4
-0.02058
-0.01380
0.00000
5
0.02058
0.01381
0.00000
6
-0.02094
0.03008
0.00000
7
-0.02496
0.07627
0.00000
8
0.02177
-0.03014
0.00000
9
-0.02177
0.03014
0.00000
10
0.02497
-0.07627
0.00000
11
0.01539
0.05598
0.00000
12
0.00910
0.05404
0.00000
13
-0.00910
-0.05404
0.00000
14
-0.01539
-0.05598
0.00000
15
0.01014
0.03251
0.00000
16
-0.01014
-0.03251
0.00000
17
-0.04039
-0.06122
0.00000
18
0.04038
0.06122
0.00000
19
-0.01729
0.05212
0.00000
20
0.01730
-0.05212
0.00000
21
0.02728
-0.09348
0.00000
22
-0.02728
0.09348
0.00000
23
-0.01296
0.02070
0.00000
24
0.01296
-0.02070
0.00000
25
0.11519
0.07312
0.00000
26
-0.11519
-0.07311
0.00000
27
0.06145
0.03391
0.00000
28
-0.06145
-0.03391
0.00000
29
-0.03889
0.07017
0.00000
30
0.03889
-0.07016
0.00000
31
-0.00206
-0.07233
0.00000
32
0.00206
0.07234
0.00000
33
-0.02483
0.16351
0.00000
34
0.02483
-0.16351
0.00000