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)
0.03400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00461
0.00000
-0.08140
2
-0.00461
0.00000
0.08140
3
-0.07266
0.00000
-0.03906
4
0.08923
0.00000
0.03632
5
-0.07266
0.00000
0.03906
6
0.08923
0.00000
-0.03632
7
-0.01381
0.00000
-0.00720
8
0.02232
0.00000
-0.01058
9
-0.01381
0.00000
0.00721
10
0.02232
0.00000
0.01058
11
-0.00805
0.00000
0.01450
12
0.00609
0.00000
-0.07008
13
-0.00805
0.00000
-0.01450
14
0.00609
0.00000
0.07008
15
0.03226
0.00000
-0.00978
16
-0.07608
0.00000
-0.01811
17
0.03226
0.00000
0.00978
18
-0.07608
0.00000
0.01811
19
0.04477
0.00000
-0.02506
20
0.04477
0.00000
0.02506
21
-0.01347
0.00000
-0.03130
22
-0.01347
0.00000
0.03130
23
0.03195
0.00000
-0.02016
24
-0.07572
0.00000
0.00068
25
0.03195
0.00000
0.02016
26
-0.07572
0.00000
-0.00068
27
-0.03463
0.00000
-0.00066
28
0.04012
0.00000
-0.04935
29
-0.03463
0.00000
0.00066
30
0.04012
0.00000
0.04935
31
-0.07257
0.00000
0.03962
32
-0.07257
0.00000
-0.03962
33
0.03961
0.00000
-0.02755
34
0.03961
0.00000
0.02755