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)
-844.54925
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00130
0.04908
0.00000
2
-0.00129
-0.04908
0.00000
3
-0.04710
0.08606
0.00000
4
0.02435
-0.02612
0.00000
5
-0.02435
0.02612
0.00000
6
0.04710
-0.08606
0.00000
7
-0.01302
0.00108
0.00000
8
0.04233
-0.02670
0.00000
9
-0.04233
0.02670
0.00000
10
0.01302
-0.00108
0.00000
11
-0.04181
0.02939
0.00000
12
-0.01436
0.00280
0.00000
13
0.01436
-0.00281
0.00000
14
0.04181
-0.02939
0.00000
15
0.04611
-0.04131
0.00000
16
-0.04611
0.04131
0.00000
17
0.07172
-0.06873
0.00000
18
-0.07172
0.06873
0.00000
19
-0.01529
0.00057
0.00000
20
0.01529
-0.00057
0.00000
21
-0.04671
0.01067
0.00000
22
0.04671
-0.01066
0.00000
23
-0.01065
-0.09590
0.00000
24
0.01065
0.09590
0.00000
25
0.14701
-0.00906
0.00000
26
-0.14701
0.00906
0.00000
27
-0.15014
0.03987
0.00000
28
0.15014
-0.03987
0.00000
29
-0.00923
0.12246
0.00000
30
0.00923
-0.12246
0.00000
31
-0.04627
0.03419
0.00000
32
0.04627
-0.03419
0.00000
33
-0.05661
0.04634
0.00000
34
0.05660
-0.04633
0.00000