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)
-1.05700
Diff mu Y
(Debye)
-0.31200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02481
0.02075
0.00000
2
-0.02481
0.02075
0.00000
3
0.02480
-0.03367
0.00000
4
0.04597
-0.04316
0.00000
5
0.04597
-0.04316
0.00000
6
0.02480
-0.03367
0.00000
7
0.00604
0.04235
0.00000
8
-0.00661
-0.00705
0.00000
9
-0.00661
-0.00705
0.00000
10
0.00604
0.04235
0.00000
11
-0.06395
-0.02152
0.00000
12
-0.02873
0.05961
0.00000
13
-0.02873
0.05961
0.00000
14
-0.06395
-0.02152
0.00000
15
0.04162
-0.00271
0.00000
16
0.04162
-0.00271
0.00000
17
0.00419
0.04193
0.00000
18
0.00419
0.04193
0.00000
19
0.08020
-0.03517
0.00000
20
0.08020
-0.03517
0.00000
21
-0.03649
-0.01124
0.00000
22
-0.03649
-0.01124
0.00000
23
-0.05221
-0.09207
0.00000
24
-0.05221
-0.09207
0.00000
25
-0.14862
-0.08627
0.00000
26
-0.14862
-0.08627
0.00000
27
-0.24354
0.07031
0.00000
28
-0.24354
0.07031
0.00000
29
0.00834
-0.11600
0.00000
30
0.00834
-0.11600
0.00000
31
0.00185
-0.00774
0.00000
32
0.00185
-0.00774
0.00000
33
-0.06878
0.11135
0.00000
34
-0.06878
0.11135
0.00000