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)
-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)
0.00000
Diff mu Z
(Debye)
0.20400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00753
-0.03273
2
0.00000
0.00753
-0.03273
3
0.00000
0.01375
0.02404
4
0.00000
0.02222
0.00717
5
0.00000
-0.02222
0.00717
6
0.00000
-0.01375
0.02404
7
0.00000
0.03046
0.02534
8
0.00000
0.05277
0.03468
9
0.00000
-0.05278
0.03468
10
0.00000
-0.03046
0.02534
11
0.00000
-0.02286
-0.03180
12
0.00000
0.01108
-0.02300
13
0.00000
-0.01108
-0.02299
14
0.00000
0.02286
-0.03179
15
0.00000
-0.00365
-0.06822
16
0.00000
0.00365
-0.06822
17
0.00000
-0.01566
0.00545
18
0.00000
-0.02795
0.00934
19
0.00000
0.02795
0.00933
20
0.00000
0.01566
0.00545
21
0.00000
-0.01205
0.00858
22
0.00000
-0.01563
0.01469
23
0.00000
0.01563
0.01470
24
0.00000
0.01206
0.00858
25
0.00000
0.00293
0.02652
26
0.00000
-0.00293
0.02652
27
0.00000
-0.02576
-0.02253
28
0.00000
0.02576
-0.02253
29
0.00000
-0.01922
0.04073
30
0.00000
-0.03257
0.04134
31
0.00000
0.03257
0.04131
32
0.00000
0.01921
0.04074
33
0.00000
0.06627
0.05975
34
0.00000
-0.02068
0.01654
35
0.00000
0.02067
0.01655
36
0.00000
-0.06625
0.05974
37
0.00000
-0.34082
-0.20716
38
0.00000
0.06286
0.00218
39
0.00000
-0.06286
0.00218
40
0.00000
0.34083
-0.20717
41
0.00000
0.00530
0.31412
42
0.00000
-0.00530
0.31412