Charge: 2
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
2.83400
Eigenvectors
#
X
Y
Z
1
0.00000
0.01550
-0.04350
2
0.00000
-0.01550
-0.04350
3
0.00000
0.05466
-0.02141
4
0.00000
0.00104
0.02247
5
0.00000
-0.00104
0.02247
6
0.00000
-0.05465
-0.02141
7
0.00000
0.04138
0.09900
8
0.00000
-0.03469
0.01281
9
0.00000
0.03470
0.01280
10
0.00000
-0.04139
0.09901
11
0.00000
-0.04828
-0.08020
12
0.00000
-0.01734
-0.00448
13
0.00000
0.01734
-0.00448
14
0.00000
0.04829
-0.08020
15
0.00000
-0.00085
0.03435
16
0.00000
0.00084
0.03436
17
0.00000
-0.02664
-0.00704
18
0.00000
0.00709
0.00036
19
0.00000
-0.00709
0.00036
20
0.00000
0.02664
-0.00704
21
0.00000
0.01893
0.00385
22
0.00000
0.01756
-0.01585
23
0.00000
-0.01756
-0.01585
24
0.00000
-0.01893
0.00385
25
0.00000
-0.01723
-0.02363
26
0.00000
0.01723
-0.02363
27
0.00000
0.01834
0.02451
28
0.00000
-0.01834
0.02451
29
0.00000
-0.02911
-0.08938
30
0.00000
0.00918
-0.04843
31
0.00000
-0.00918
-0.04839
32
0.00000
0.02912
-0.08941
33
0.00000
-0.15375
-0.10143
34
0.00000
0.08567
0.02078
35
0.00000
-0.08568
0.02079
36
0.00000
0.15377
-0.10144
37
0.00000
0.01460
0.02547
38
0.00000
-0.07235
-0.03483
39
0.00000
0.07233
-0.03481
40
0.00000
-0.01461
0.02547
41
0.00000
-0.01694
0.21308
42
0.00000
0.01693
0.21305