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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05457
0.04809
0.00000
2
-0.05457
-0.04809
0.00000
3
0.07733
0.05893
0.00000
4
-0.02335
0.01798
0.00000
5
0.02335
-0.01798
0.00000
6
-0.07733
-0.05893
0.00000
7
0.00573
0.04173
0.00000
8
0.01577
0.06196
0.00000
9
-0.01577
-0.06196
0.00000
10
-0.00573
-0.04173
0.00000
11
0.02488
-0.00409
0.00000
12
0.03796
-0.00381
0.00000
13
-0.03796
0.00381
0.00000
14
-0.02488
0.00409
0.00000
15
-0.02985
0.03328
0.00000
16
0.02985
-0.03328
0.00000
17
0.03140
-0.02289
0.00000
18
-0.03140
0.02289
0.00000
19
0.00485
-0.02073
0.00000
20
-0.00485
0.02073
0.00000
21
-0.08710
-0.03942
0.00000
22
0.08710
0.03942
0.00000
23
0.03718
0.09676
0.00000
24
-0.03718
-0.09676
0.00000
25
0.03970
-0.01826
0.00000
26
-0.03970
0.01826
0.00000
27
0.09546
-0.05490
0.00000
28
-0.09546
0.05490
0.00000
29
-0.02195
-0.08538
0.00000
30
0.02195
0.08538
0.00000
31
-0.00805
-0.10373
0.00000
32
0.00805
0.10373
0.00000
33
-0.07675
-0.10147
0.00000
34
0.07675
0.10147
0.00000