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)
-1074.14485
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)
-0.70500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00055
0.00000
2
0.00000
0.00055
0.00000
3
0.00000
-0.00002
0.00023
4
0.00000
-0.00015
0.00025
5
0.00000
-0.00015
-0.00025
6
0.00000
-0.00002
-0.00023
7
0.00000
0.00015
-0.00015
8
0.00000
-0.00017
-0.00015
9
0.00000
-0.00017
0.00015
10
0.00000
0.00015
0.00015
11
0.00000
0.00006
-0.00018
12
0.00000
0.00112
-0.00201
13
0.00000
0.00112
0.00201
14
0.00000
0.00006
0.00018
15
0.00000
0.00004
-0.00176
16
0.00000
0.00004
0.00176
17
0.00000
-0.05328
-0.00042
18
0.00000
-0.00393
0.00037
19
0.00000
-0.00392
-0.00037
20
0.00000
-0.05331
0.00042
21
0.00000
0.00833
-0.01004
22
0.00000
0.00546
-0.00986
23
0.00000
0.00545
0.00985
24
0.00000
0.00834
0.01004
25
0.00000
-0.00698
0.00034
26
0.00000
-0.00698
-0.00034
27
0.00000
0.00617
-0.01095
28
0.00000
0.00617
0.01095
29
0.00000
0.61583
0.00206
30
0.00000
0.04951
-0.00227
31
0.00000
0.04949
0.00227
32
0.00000
0.61612
-0.00206
33
0.00000
-0.08767
0.14091
34
0.00000
-0.06378
0.11199
35
0.00000
-0.06373
-0.11190
36
0.00000
-0.08772
-0.14098
37
0.00000
-0.07527
0.12948
38
0.00000
-0.01312
0.02359
39
0.00000
-0.01313
-0.02361
40
0.00000
-0.07528
-0.12949
41
0.00000
0.08244
-0.00142
42
0.00000
0.08247
0.00142