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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.95600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01227
-0.00062
2
0.00000
-0.01228
0.00061
3
0.00000
0.06230
-0.02073
4
0.00000
-0.09369
0.01986
5
0.00000
-0.09369
-0.01987
6
0.00000
0.06230
0.02073
7
0.00000
0.02120
0.03300
8
0.00000
-0.00249
-0.01211
9
0.00000
-0.00248
0.01211
10
0.00000
0.02119
-0.03299
11
0.00000
-0.00350
-0.03352
12
0.00000
-0.01486
0.01915
13
0.00000
-0.01486
-0.01914
14
0.00000
-0.00350
0.03352
15
0.00000
-0.00311
-0.06798
16
0.00000
-0.00311
0.06798
17
0.00000
0.05815
0.00661
18
0.00000
-0.03448
-0.02100
19
0.00000
-0.03448
0.02100
20
0.00000
0.05815
-0.00661
21
0.00000
-0.05827
-0.00438
22
0.00000
0.07247
-0.02020
23
0.00000
0.07247
0.02020
24
0.00000
-0.05827
0.00437
25
0.00000
-0.00606
0.01030
26
0.00000
-0.00607
-0.01030
27
0.00000
0.01617
-0.03777
28
0.00000
0.01617
0.03777
29
0.00000
0.06014
-0.01732
30
0.00000
-0.03394
0.01730
31
0.00000
-0.03394
-0.01731
32
0.00000
0.06014
0.01732
33
0.00000
-0.13537
-0.05188
34
0.00000
0.12358
0.00783
35
0.00000
0.12358
-0.00783
36
0.00000
-0.13537
0.05188
37
0.00000
-0.00976
-0.05588
38
0.00000
-0.01743
0.01946
39
0.00000
-0.01743
-0.01946
40
0.00000
-0.00976
0.05588
41
0.00000
-0.00587
0.04788
42
0.00000
-0.00587
-0.04789