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)
-0.08900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06682
-0.00425
2
0.00000
-0.06682
0.00425
3
0.00000
0.04135
-0.04372
4
0.00000
0.02493
-0.06457
5
0.00000
0.02493
0.06457
6
0.00000
0.04135
0.04372
7
0.00000
-0.06685
0.04252
8
0.00000
-0.00381
0.07630
9
0.00000
-0.00381
-0.07630
10
0.00000
-0.06685
-0.04252
11
0.00000
0.01356
-0.02113
12
0.00000
-0.01609
-0.03862
13
0.00000
-0.01608
0.03862
14
0.00000
0.01357
0.02114
15
0.00000
0.07325
-0.03258
16
0.00000
0.07325
0.03258
17
0.00000
-0.03316
0.03025
18
0.00000
-0.00988
-0.00730
19
0.00000
-0.00988
0.00730
20
0.00000
-0.03316
-0.03025
21
0.00000
0.05306
0.00255
22
0.00000
-0.00476
-0.01514
23
0.00000
-0.00477
0.01514
24
0.00000
0.05306
-0.00255
25
0.00000
-0.01097
-0.00500
26
0.00000
-0.01097
0.00500
27
0.00000
0.00976
0.01400
28
0.00000
0.00977
-0.01400
29
0.00000
-0.03463
-0.04485
30
0.00000
-0.00801
0.06852
31
0.00000
-0.00801
-0.06852
32
0.00000
-0.03463
0.04484
33
0.00000
-0.05691
-0.06530
34
0.00000
0.06535
0.02678
35
0.00000
0.06535
-0.02678
36
0.00000
-0.05690
0.06530
37
0.00000
-0.04497
-0.01589
38
0.00000
0.05057
-0.00043
39
0.00000
0.05057
0.00043
40
0.00000
-0.04498
0.01590
41
0.00000
-0.01395
0.02071
42
0.00000
-0.01395
-0.02069