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)
-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)
0.22100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00436
0.00587
2
0.00000
0.00436
-0.00586
3
0.00000
-0.00994
-0.02541
4
0.00000
-0.00481
-0.01692
5
0.00000
-0.00481
0.01691
6
0.00000
-0.00994
0.02540
7
0.00000
0.04715
0.03117
8
0.00000
0.04673
0.04262
9
0.00000
0.04672
-0.04261
10
0.00000
0.04715
-0.03117
11
0.00000
-0.01587
-0.02091
12
0.00000
-0.04604
-0.05919
13
0.00000
-0.04604
0.05919
14
0.00000
-0.01586
0.02091
15
0.00000
-0.00100
0.02143
16
0.00000
-0.00100
-0.02143
17
0.00000
0.01130
-0.07094
18
0.00000
-0.02047
-0.05971
19
0.00000
-0.02048
0.05972
20
0.00000
0.01130
0.07095
21
0.00000
-0.04726
0.00883
22
0.00000
0.00556
0.03793
23
0.00000
0.00557
-0.03794
24
0.00000
-0.04725
-0.00884
25
0.00000
-0.00594
-0.00188
26
0.00000
-0.00595
0.00188
27
0.00000
0.01333
0.01675
28
0.00000
0.01334
-0.01675
29
0.00000
0.01154
0.20493
30
0.00000
-0.02557
0.11756
31
0.00000
-0.02557
-0.11756
32
0.00000
0.01153
-0.20492
33
0.00000
0.15387
0.13571
34
0.00000
-0.00751
0.03827
35
0.00000
-0.00753
-0.03826
36
0.00000
0.15384
-0.13569
37
0.00000
-0.05627
-0.02234
38
0.00000
0.20347
0.08158
39
0.00000
0.20347
-0.08158
40
0.00000
-0.05628
0.02235
41
0.00000
-0.00693
-0.06938
42
0.00000
-0.00694
0.06939