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)
0.05300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05346
-0.00135
2
0.00000
0.05346
-0.00135
3
0.00000
0.00084
-0.03607
4
0.00000
-0.00124
0.02938
5
0.00000
0.00123
0.02938
6
0.00000
-0.00083
-0.03607
7
0.00000
0.05272
-0.01238
8
0.00000
-0.06228
0.00403
9
0.00000
0.06228
0.00401
10
0.00000
-0.05272
-0.01238
11
0.00000
0.01034
0.00430
12
0.00000
-0.00739
-0.03081
13
0.00000
0.00740
-0.03082
14
0.00000
-0.01034
0.00429
15
0.00000
-0.06727
0.01022
16
0.00000
0.06727
0.01021
17
0.00000
-0.00887
0.06295
18
0.00000
-0.00686
-0.04522
19
0.00000
0.00687
-0.04522
20
0.00000
0.00887
0.06295
21
0.00000
0.06634
0.02572
22
0.00000
-0.08078
-0.01119
23
0.00000
0.08077
-0.01120
24
0.00000
-0.06634
0.02572
25
0.00000
-0.00100
0.00019
26
0.00000
0.00099
0.00018
27
0.00000
-0.00055
-0.00192
28
0.00000
0.00055
-0.00192
29
0.00000
-0.00974
0.15069
30
0.00000
-0.00605
-0.14260
31
0.00000
0.00605
-0.14259
32
0.00000
0.00975
0.15069
33
0.00000
0.11005
0.05134
34
0.00000
-0.11718
-0.03211
35
0.00000
0.11716
-0.03211
36
0.00000
-0.11005
0.05133
37
0.00000
0.00022
-0.00155
38
0.00000
0.03303
-0.00636
39
0.00000
-0.03301
-0.00637
40
0.00000
-0.00022
-0.00156
41
0.00000
0.00026
0.00658
42
0.00000
-0.00027
0.00657