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)
0.00000
Diff mu Z
(Debye)
-0.26400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01126
-0.00604
2
0.00000
0.01126
-0.00605
3
0.00000
0.00432
-0.02121
4
0.00000
-0.00327
0.00304
5
0.00000
0.00327
0.00304
6
0.00000
-0.00432
-0.02121
7
0.00000
0.01635
-0.01494
8
0.00000
-0.01607
0.00258
9
0.00000
0.01607
0.00258
10
0.00000
-0.01635
-0.01494
11
0.00000
-0.02787
0.05566
12
0.00000
0.00316
-0.03731
13
0.00000
-0.00317
-0.03732
14
0.00000
0.02787
0.05566
15
0.00000
-0.01129
0.00623
16
0.00000
0.01128
0.00623
17
0.00000
-0.03803
-0.04067
18
0.00000
0.01314
0.04781
19
0.00000
-0.01313
0.04781
20
0.00000
0.03802
-0.04068
21
0.00000
0.00771
-0.07376
22
0.00000
-0.01715
0.07149
23
0.00000
0.01715
0.07148
24
0.00000
-0.00771
-0.07376
25
0.00000
-0.11390
0.03224
26
0.00000
0.11390
0.03224
27
0.00000
-0.00982
-0.03005
28
0.00000
0.00982
-0.03005
29
0.00000
-0.03779
-0.03885
30
0.00000
0.01240
0.03743
31
0.00000
-0.01239
0.03742
32
0.00000
0.03779
-0.03886
33
0.00000
0.01357
-0.07094
34
0.00000
-0.00001
0.08305
35
0.00000
0.00002
0.08304
36
0.00000
-0.01356
-0.07095
37
0.00000
0.07105
0.01864
38
0.00000
0.02444
-0.02588
39
0.00000
-0.02445
-0.02588
40
0.00000
-0.07105
0.01864
41
0.00000
-0.11583
0.05555
42
0.00000
0.11583
0.05555