Charge: 1
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+1
Electronic States
Energy
(eV)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.20900
Diff mu Y
(Debye)
2.88500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00596
0.04234
0.00000
2
-0.00596
0.04234
0.00000
3
0.02756
-0.02604
0.00000
4
0.00631
-0.00898
0.00000
5
0.00631
-0.00898
0.00000
6
0.02756
-0.02604
0.00000
7
0.01408
-0.04455
0.00000
8
-0.01920
-0.00789
0.00000
9
-0.01920
-0.00789
0.00000
10
0.01408
-0.04456
0.00000
11
-0.05962
-0.08949
0.00000
12
0.02340
0.01688
0.00000
13
0.02340
0.01688
0.00000
14
-0.05962
-0.08949
0.00000
15
-0.00549
-0.01467
0.00000
16
-0.00549
-0.01467
0.00000
17
-0.00029
0.03461
0.00000
18
-0.00029
0.03461
0.00000
19
-0.00588
0.02120
0.00000
20
-0.00588
0.02120
0.00000
21
0.00774
0.00460
0.00000
22
0.00774
0.00460
0.00000
23
0.08826
0.06231
0.00000
24
0.08826
0.06231
0.00000
25
0.25956
0.27275
0.00000
26
0.25956
0.27275
0.00000
27
-0.06059
0.04281
0.00000
28
-0.06060
0.04281
0.00000
29
-0.00845
0.18638
0.00000
30
-0.00845
0.18638
0.00000
31
-0.06982
0.22267
0.00000
32
-0.06981
0.22264
0.00000
33
-0.00246
0.07041
0.00000
34
-0.00246
0.07043
0.00000