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)
0.18500
Eigenvectors
#
X
Y
Z
1
0.00000
0.02365
-0.02911
2
0.00000
-0.02365
-0.02911
3
0.00000
0.01276
-0.03016
4
0.00000
0.00211
-0.05525
5
0.00000
-0.00210
-0.05525
6
0.00000
-0.01275
-0.03016
7
0.00000
0.05073
-0.00968
8
0.00000
0.03038
-0.04451
9
0.00000
-0.03038
-0.04450
10
0.00000
-0.05073
-0.00968
11
0.00000
0.01171
-0.00416
12
0.00000
0.00651
-0.04844
13
0.00000
-0.00651
-0.04844
14
0.00000
-0.01172
-0.00416
15
0.00000
0.03320
0.03987
16
0.00000
-0.03319
0.03987
17
0.00000
0.06113
0.05942
18
0.00000
-0.00160
0.06591
19
0.00000
0.00160
0.06591
20
0.00000
-0.06113
0.05943
21
0.00000
0.06714
0.04341
22
0.00000
0.04038
0.03236
23
0.00000
-0.04038
0.03236
24
0.00000
-0.06714
0.04342
25
0.00000
-0.00320
-0.01470
26
0.00000
0.00320
-0.01471
27
0.00000
-0.00093
-0.02208
28
0.00000
0.00093
-0.02209
29
0.00000
0.06165
0.07314
30
0.00000
-0.00136
0.09949
31
0.00000
0.00136
0.09950
32
0.00000
-0.06165
0.07315
33
0.00000
0.08794
0.05420
34
0.00000
0.09516
0.06411
35
0.00000
-0.09516
0.06411
36
0.00000
-0.08795
0.05420
37
0.00000
0.00289
-0.02006
38
0.00000
-0.00648
-0.05727
39
0.00000
0.00647
-0.05727
40
0.00000
-0.00288
-0.02007
41
0.00000
-0.00152
-0.00974
42
0.00000
0.00152
-0.00975