Charge: 2
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+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
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)
0.20100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06147
0.07312
0.00000
2
-0.06147
0.07312
0.00000
3
-0.03141
0.02590
0.00000
4
0.00769
-0.02023
0.00000
5
0.00769
-0.02023
0.00000
6
-0.03141
0.02590
0.00000
7
-0.00409
-0.02290
0.00000
8
0.04674
-0.04085
0.00000
9
0.04674
-0.04085
0.00000
10
-0.00409
-0.02290
0.00000
11
-0.01529
-0.02248
0.00000
12
0.06608
0.00073
0.00000
13
0.06608
0.00073
0.00000
14
-0.01529
-0.02248
0.00000
15
-0.02276
0.03318
0.00000
16
-0.02276
0.03318
0.00000
17
0.05591
-0.08334
0.00000
18
0.05591
-0.08334
0.00000
19
0.00420
0.05956
0.00000
20
0.00420
0.05956
0.00000
21
-0.04300
0.00910
0.00000
22
-0.04300
0.00910
0.00000
23
-0.05536
0.00335
0.00000
24
-0.05536
0.00335
0.00000
25
0.00749
-0.12787
0.00000
26
0.00749
-0.12787
0.00000
27
-0.07006
0.08259
0.00000
28
-0.07007
0.08259
0.00000
29
0.07171
-0.02087
0.00000
30
0.07171
-0.02087
0.00000
31
0.05143
-0.05645
0.00000
32
0.05143
-0.05645
0.00000
33
-0.03617
-0.02099
0.00000
34
-0.03617
-0.02099
0.00000