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)
-1.57600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02396
0.00660
2
0.00000
-0.02396
-0.00660
3
0.00000
0.02045
0.01412
4
0.00000
-0.00611
-0.00117
5
0.00000
-0.00610
0.00116
6
0.00000
0.02044
-0.01412
7
0.00000
-0.06445
-0.02095
8
0.00000
0.04827
0.01086
9
0.00000
0.04827
-0.01086
10
0.00000
-0.06445
0.02095
11
0.00000
0.01642
0.01260
12
0.00000
-0.01614
-0.01359
13
0.00000
-0.01614
0.01359
14
0.00000
0.01643
-0.01260
15
0.00000
0.02157
-0.08233
16
0.00000
0.02157
0.08233
17
0.00000
-0.03105
0.05182
18
0.00000
0.01308
-0.06446
19
0.00000
0.01308
0.06447
20
0.00000
-0.03105
-0.05182
21
0.00000
0.07251
0.01431
22
0.00000
-0.04239
0.00529
23
0.00000
-0.04239
-0.00529
24
0.00000
0.07251
-0.01431
25
0.00000
-0.00288
-0.00932
26
0.00000
-0.00288
0.00932
27
0.00000
0.00053
0.00445
28
0.00000
0.00054
-0.00445
29
0.00000
-0.03662
-0.14374
30
0.00000
0.01775
0.17403
31
0.00000
0.01774
-0.17403
32
0.00000
-0.03662
0.14375
33
0.00000
-0.16276
-0.13809
34
0.00000
0.07264
0.07916
35
0.00000
0.07264
-0.07915
36
0.00000
-0.16276
0.13810
37
0.00000
-0.00979
-0.00086
38
0.00000
0.05210
0.02566
39
0.00000
0.05210
-0.02567
40
0.00000
-0.00980
0.00086
41
0.00000
-0.00304
0.06453
42
0.00000
-0.00304
-0.06453