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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.21900
Eigenvectors
#
X
Y
Z
1
-0.04770
0.00000
-0.01988
2
0.04773
0.00000
-0.01990
3
0.12408
0.00000
0.04702
4
-0.03145
0.00000
-0.03439
5
-0.12408
0.00000
0.04708
6
0.03144
0.00000
-0.03439
7
0.00176
0.00000
-0.03856
8
-0.02875
0.00000
0.03667
9
-0.00179
0.00000
-0.03859
10
0.02876
0.00000
0.03668
11
-0.03276
0.00000
-0.01930
12
0.00577
0.00000
-0.00852
13
0.03279
0.00000
-0.01932
14
-0.00576
0.00000
-0.00852
15
0.03617
0.00000
0.02622
16
-0.01091
0.00000
-0.02540
17
-0.03618
0.00000
0.02625
18
0.01091
0.00000
-0.02542
19
-0.06395
0.00000
0.00409
20
0.06396
0.00000
0.00408
21
-0.03412
0.00000
0.01582
22
0.03409
0.00000
0.01581
23
0.04006
0.00000
-0.07098
24
-0.01252
0.00000
0.12157
25
-0.04007
0.00000
-0.07097
26
0.01253
0.00000
0.12169
27
0.03082
0.00000
0.01067
28
0.09831
0.00000
0.04608
29
-0.03083
0.00000
0.01066
30
-0.09835
0.00000
0.04611
31
0.09236
0.00000
-0.02657
32
-0.09242
0.00000
-0.02660
33
0.10820
0.00000
0.11240
34
-0.10829
0.00000
0.11246