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)
-0.02700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00281
-0.00876
2
0.00000
0.00281
0.00875
3
0.00000
-0.07894
0.01929
4
0.00000
0.08733
0.00152
5
0.00000
0.08733
-0.00154
6
0.00000
-0.07894
-0.01928
7
0.00000
0.01692
0.03953
8
0.00000
-0.00721
-0.00326
9
0.00000
-0.00722
0.00326
10
0.00000
0.01692
-0.03952
11
0.00000
0.00560
0.02485
12
0.00000
0.00272
-0.00989
13
0.00000
0.00272
0.00990
14
0.00000
0.00559
-0.02484
15
0.00000
-0.00488
0.01602
16
0.00000
-0.00487
-0.01602
17
0.00000
-0.05858
0.01102
18
0.00000
0.04640
-0.01690
19
0.00000
0.04640
0.01690
20
0.00000
-0.05857
-0.01102
21
0.00000
0.05776
-0.05367
22
0.00000
-0.05556
0.04615
23
0.00000
-0.05556
-0.04614
24
0.00000
0.05776
0.05367
25
0.00000
-0.02753
-0.00416
26
0.00000
-0.02754
0.00416
27
0.00000
0.01784
-0.03568
28
0.00000
0.01783
0.03568
29
-0.00001
-0.05915
0.10943
30
-0.00001
0.04631
-0.10183
31
0.00001
0.04631
0.10181
32
0.00001
-0.05914
-0.10943
33
0.00001
0.09388
-0.03254
34
0.00001
-0.11716
0.01302
35
-0.00001
-0.11716
-0.01301
36
-0.00001
0.09389
0.03253
37
0.00000
0.00008
-0.04608
38
-0.00001
0.00730
-0.00697
39
0.00001
0.00732
0.00697
40
0.00000
0.00008
0.04607
41
0.00000
-0.02690
0.01472
42
0.00000
-0.02691
-0.01474