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)
-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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01699
0.03074
0.00000
2
-0.01699
-0.03073
0.00000
3
0.02562
0.04207
0.00000
4
-0.00136
-0.04165
0.00000
5
0.00136
0.04165
0.00000
6
-0.02562
-0.04207
0.00000
7
0.06580
0.03485
0.00000
8
0.00962
-0.03089
0.00000
9
-0.00962
0.03089
0.00000
10
-0.06580
-0.03485
0.00000
11
-0.05560
-0.00299
0.00000
12
0.06924
0.00181
0.00000
13
-0.06924
-0.00181
0.00000
14
0.05560
0.00300
0.00000
15
-0.09174
0.00635
0.00000
16
0.09174
-0.00636
0.00000
17
-0.00699
-0.02391
0.00000
18
0.00699
0.02392
0.00000
19
0.00694
-0.01241
0.00000
20
-0.00694
0.01241
0.00000
21
0.08135
0.04978
0.00000
22
-0.08135
-0.04978
0.00000
23
-0.08666
0.01290
0.00000
24
0.08666
-0.01290
0.00000
25
0.02442
0.00466
0.00000
26
-0.02442
-0.00466
0.00000
27
-0.05295
0.00807
0.00000
28
0.05295
-0.00808
0.00000
29
-0.05889
-0.05915
0.00000
30
0.05889
0.05915
0.00000
31
-0.02143
0.08249
0.00000
32
0.02144
-0.08250
0.00000
33
0.07220
0.09971
0.00000
34
-0.07220
-0.09970
0.00000