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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.03300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04534
0.01281
2
0.00000
-0.04534
-0.01281
3
0.00000
0.01379
0.05278
4
0.00000
0.01072
0.02959
5
0.00000
0.01072
-0.02959
6
0.00000
0.01379
-0.05278
7
0.00000
0.03872
0.01674
8
0.00000
0.05682
0.05414
9
0.00000
0.05682
-0.05414
10
0.00000
0.03872
-0.01674
11
0.00000
-0.02212
-0.05986
12
0.00000
0.00003
-0.01359
13
0.00000
0.00003
0.01359
14
0.00000
-0.02212
0.05986
15
0.00000
-0.01169
-0.05980
16
0.00000
-0.01169
0.05980
17
0.00000
-0.01073
-0.00338
18
0.00000
-0.00512
-0.01310
19
0.00000
-0.00512
0.01310
20
0.00000
-0.01073
0.00338
21
0.00000
-0.00902
0.02209
22
0.00000
0.00545
0.00419
23
0.00000
0.00545
-0.00419
24
0.00000
-0.00902
-0.02209
25
0.00000
0.00503
-0.02207
26
0.00000
0.00503
0.02207
27
0.00000
-0.00779
0.02476
28
0.00000
-0.00779
-0.02476
29
0.00000
-0.01451
-0.10164
30
0.00000
-0.00315
-0.26825
31
0.00000
-0.00315
0.26825
32
0.00000
-0.01451
0.10164
33
0.00000
0.06529
0.06922
34
0.00000
-0.14369
-0.07702
35
0.00000
-0.14369
0.07702
36
0.00000
0.06529
-0.06922
37
0.00000
0.09363
0.08549
38
0.00000
-0.22559
-0.14844
39
0.00000
-0.22559
0.14844
40
0.00000
0.09363
-0.08549
41
0.00000
0.00468
0.02329
42
0.00000
0.00468
-0.02329