Charge: -1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q-1
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.16700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02896
0.00000
0.01977
2
-0.02896
0.00000
-0.01977
3
-0.00595
0.00000
-0.00142
4
0.02553
0.00000
-0.01757
5
-0.00595
0.00000
0.00142
6
0.02553
0.00000
0.01757
7
0.02554
0.00000
-0.01178
8
0.02302
0.00000
0.00600
9
0.02554
0.00000
0.01178
10
0.02302
0.00000
-0.00600
11
0.00446
0.00000
0.03869
12
-0.03502
0.00000
-0.02261
13
0.00446
0.00000
-0.03869
14
-0.03502
0.00000
0.02261
15
-0.01196
0.00000
-0.02875
16
0.01193
0.00000
0.02553
17
-0.01196
0.00000
0.02875
18
0.01193
0.00000
-0.02554
19
-0.00642
0.00000
0.01436
20
-0.00642
0.00000
-0.01436
21
-0.00100
0.00000
-0.01652
22
-0.00100
0.00000
0.01652
23
-0.01385
0.00000
-0.34177
24
0.00988
0.00000
0.18812
25
-0.01385
0.00000
0.34176
26
0.00989
0.00000
-0.18813
27
0.24236
0.00000
0.17407
28
-0.32046
0.00000
-0.19021
29
0.24235
0.00000
-0.17407
30
-0.32046
0.00000
0.19021
31
0.07965
0.00000
-0.02154
32
0.07965
0.00000
0.02154
33
-0.01156
0.00000
0.01188
34
-0.01157
0.00000
-0.01188