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)
0.17500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00930
-0.00530
2
0.00000
-0.00930
0.00530
3
0.00000
0.00862
0.05533
4
0.00000
-0.01094
0.00333
5
0.00000
-0.01094
-0.00333
6
0.00000
0.00862
-0.05533
7
0.00000
0.01577
0.00583
8
0.00000
0.02174
0.03023
9
0.00000
0.02174
-0.03023
10
0.00000
0.01577
-0.00583
11
0.00000
-0.01107
-0.04097
12
0.00000
0.00311
-0.00704
13
0.00000
0.00311
0.00704
14
0.00000
-0.01107
0.04097
15
0.00000
0.00325
-0.11800
16
0.00000
0.00325
0.11800
17
0.00000
-0.02715
0.00058
18
0.00000
0.00898
-0.00417
19
0.00000
0.00898
0.00417
20
0.00000
-0.02715
-0.00058
21
0.00000
-0.01193
0.02867
22
0.00000
0.01804
-0.01903
23
0.00000
0.01805
0.01903
24
0.00000
-0.01193
-0.02867
25
0.00000
-0.00134
-0.02114
26
0.00000
-0.00134
0.02113
27
0.00000
-0.00531
0.01630
28
0.00000
-0.00531
-0.01630
29
0.00000
-0.03518
0.16564
30
0.00000
0.01510
-0.29828
31
0.00000
0.01510
0.29829
32
0.00000
-0.03518
-0.16563
33
0.00000
0.13661
0.12175
34
0.00000
-0.11380
-0.09527
35
0.00000
-0.11379
0.09527
36
0.00000
0.13661
-0.12175
37
0.00000
0.09144
0.07380
38
0.00000
-0.12273
-0.08179
39
0.00000
-0.12272
0.08178
40
0.00000
0.09144
-0.07380
41
0.00000
-0.00102
0.02238
42
0.00000
-0.00102
-0.02239