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)
0.04500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.05848
0.03961
2
0.00000
0.05848
-0.03961
3
0.00000
-0.03684
-0.01373
4
0.00000
0.02638
-0.04799
5
0.00000
0.02636
0.04799
6
0.00000
-0.03685
0.01373
7
0.00000
0.02612
-0.03600
8
0.00000
-0.06696
0.08350
9
0.00000
-0.06696
-0.08349
10
0.00000
0.02613
0.03600
11
0.00000
-0.00451
0.00693
12
0.00000
0.01856
-0.01457
13
0.00000
0.01857
0.01456
14
0.00000
-0.00451
-0.00693
15
0.00000
-0.06075
-0.02394
16
0.00000
-0.06075
0.02394
17
0.00000
0.00376
-0.00291
18
0.00000
-0.00565
-0.04083
19
0.00000
-0.00565
0.04083
20
0.00000
0.00376
0.00291
21
0.00000
0.00885
0.02212
22
0.00000
0.04463
0.01159
23
0.00000
0.04463
-0.01159
24
0.00000
0.00885
-0.02212
25
0.00000
-0.00697
0.02418
26
0.00000
-0.00697
-0.02418
27
0.00000
0.01885
0.00727
28
0.00000
0.01885
-0.00727
29
0.00000
0.00161
-0.11131
30
0.00000
-0.00690
-0.04288
31
0.00000
-0.00690
0.04289
32
0.00000
0.00161
0.11132
33
0.00000
-0.08545
-0.03489
34
0.00000
0.07880
0.03291
35
0.00000
0.07878
-0.03290
36
0.00000
-0.08546
0.03490
37
0.00000
-0.11804
-0.07222
38
0.00000
-0.14595
-0.10844
39
0.00000
-0.14595
0.10844
40
0.00000
-0.11804
0.07222
41
0.00000
-0.00902
-0.13075
42
0.00000
-0.00902
0.13074