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)
-0.29500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00035
-0.00006
2
0.00000
0.00035
-0.00006
3
0.00000
0.00006
-0.00007
4
0.00000
0.00001
0.00027
5
0.00000
-0.00001
0.00027
6
0.00000
-0.00006
-0.00007
7
0.00000
-0.00006
0.00000
8
0.00000
0.00251
0.00160
9
0.00000
-0.00251
0.00160
10
0.00000
0.00006
0.00000
11
0.00000
0.00002
0.00005
12
0.00000
0.02540
-0.03906
13
0.00000
-0.02540
-0.03906
14
0.00000
-0.00002
0.00005
15
0.00000
-0.00017
-0.00096
16
0.00000
0.00017
-0.00096
17
0.00000
0.00379
0.00004
18
0.00000
-0.02945
-0.00158
19
0.00000
0.02945
-0.00158
20
0.00000
-0.00379
0.00004
21
0.00000
-0.00100
0.00146
22
0.00000
-0.01087
0.02221
23
0.00000
0.01087
0.02221
24
0.00000
0.00100
0.00146
25
0.00000
0.00107
-0.00007
26
0.00000
-0.00108
-0.00007
27
0.00000
-0.00065
0.00104
28
0.00000
0.00066
0.00105
29
0.00000
-0.04394
0.00092
30
0.00000
0.32728
0.00196
31
0.00000
-0.32730
0.00196
32
0.00000
0.04394
0.00091
33
0.00000
0.01083
-0.01724
34
0.00000
0.13185
-0.23929
35
0.00000
-0.13186
-0.23930
36
0.00000
-0.01083
-0.01725
37
0.00000
0.00715
-0.01213
38
0.00000
-0.26270
0.44585
39
0.00000
0.26270
0.44585
40
0.00000
-0.00719
-0.01220
41
0.00000
-0.01258
0.00021
42
0.00000
0.01261
0.00022