Charge: 1
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+1
Electronic States
Energy
(eV)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.08000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02538
0.02743
2
0.00000
-0.02538
-0.02743
3
0.00000
0.00833
0.02396
4
0.00000
-0.00185
-0.03767
5
0.00000
-0.00185
0.03767
6
0.00000
0.00833
-0.02396
7
0.00000
0.04367
0.03967
8
0.00000
0.01221
-0.04939
9
0.00000
0.01221
0.04939
10
0.00000
0.04367
-0.03967
11
0.00000
0.00448
0.04549
12
0.00000
-0.01358
-0.04540
13
0.00000
-0.01358
0.04540
14
0.00000
0.00447
-0.04549
15
0.00000
-0.04209
-0.03112
16
0.00000
-0.04209
0.03112
17
0.00000
0.02935
0.01483
18
0.00000
-0.03641
0.06878
19
0.00000
-0.03641
-0.06878
20
0.00000
0.02934
-0.01483
21
0.00000
0.06372
0.00441
22
0.00000
0.01882
0.03689
23
0.00000
0.01882
-0.03689
24
0.00000
0.06371
-0.00441
25
0.00000
-0.03182
0.05083
26
0.00000
-0.03182
-0.05083
27
0.00000
-0.03363
0.04935
28
0.00000
-0.03363
-0.04935
29
0.00000
0.02839
0.09286
30
0.00000
-0.03699
0.10972
31
0.00000
-0.03699
-0.10972
32
0.00000
0.02839
-0.09286
33
0.00000
0.05673
-0.00024
34
0.00000
0.09072
0.07755
35
0.00000
0.09072
-0.07755
36
0.00000
0.05673
0.00024
37
0.00000
0.01422
0.07705
38
0.00000
-0.07061
-0.07852
39
0.00000
-0.07061
0.07852
40
0.00000
0.01422
-0.07705
41
0.00000
-0.03266
0.02178
42
0.00000
-0.03266
-0.02178