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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
-1.84700
Diff mu Y
(Debye)
-0.51000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00530
-0.05777
0.00000
2
-0.00530
-0.05777
0.00000
3
-0.02557
0.06632
0.00000
4
-0.01805
0.02985
0.00000
5
-0.01805
0.02985
0.00000
6
-0.02557
0.06632
0.00000
7
0.08961
-0.01028
0.00000
8
-0.02996
0.01361
0.00000
9
-0.02996
0.01361
0.00000
10
0.08961
-0.01028
0.00000
11
-0.03211
-0.01075
0.00000
12
0.01054
0.00768
0.00000
13
0.01054
0.00768
0.00000
14
-0.03211
-0.01075
0.00000
15
0.00609
-0.02224
0.00000
16
0.00609
-0.02224
0.00000
17
0.04788
0.01229
0.00000
18
0.04788
0.01229
0.00000
19
-0.03105
0.03901
0.00000
20
-0.03105
0.03901
0.00000
21
0.00264
-0.08850
0.00000
22
0.00264
-0.08850
0.00000
23
0.06460
0.02653
0.00000
24
0.06460
0.02653
0.00000
25
-0.07764
-0.09782
0.00000
26
-0.07764
-0.09782
0.00000
27
-0.08686
0.05835
0.00000
28
-0.08686
0.05835
0.00000
29
0.03221
-0.06571
0.00000
30
0.03221
-0.06571
0.00000
31
-0.06734
0.19060
0.00000
32
-0.06734
0.19060
0.00000
33
-0.04015
0.13548
0.00000
34
-0.04015
0.13548
0.00000