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)
0.11100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00002
-0.00006
2
0.00000
0.00002
0.00006
3
0.00000
0.00001
0.00003
4
0.00000
-0.00001
-0.00004
5
0.00000
-0.00001
0.00004
6
0.00000
0.00001
-0.00003
7
0.00000
0.00026
-0.00020
8
0.00000
-0.00001
0.00005
9
0.00000
-0.00001
-0.00005
10
0.00000
0.00026
0.00020
11
0.00000
-0.00036
0.00038
12
0.00000
-0.00002
-0.00003
13
0.00000
-0.00002
0.00003
14
0.00000
-0.00036
-0.00038
15
0.00000
0.00005
0.00002
16
0.00000
0.00005
-0.00002
17
0.00000
-0.00324
-0.00039
18
0.00000
0.00069
0.00025
19
0.00000
0.00069
-0.00025
20
0.00000
-0.00324
0.00039
21
0.00000
-0.00274
0.00501
22
0.00000
0.00076
-0.00164
23
0.00000
0.00076
0.00164
24
0.00000
-0.00274
-0.00501
25
0.00000
0.01847
-0.00237
26
0.00000
0.01847
0.00237
27
0.00000
-0.02681
0.04783
28
0.00000
-0.02681
-0.04783
29
0.00000
0.03517
0.00032
30
0.00000
-0.00750
-0.00013
31
0.00000
-0.00750
0.00013
32
0.00000
0.03517
-0.00032
33
0.00000
0.03306
-0.05187
34
0.00000
-0.01012
0.01719
35
0.00000
-0.01013
-0.01720
36
0.00000
0.03306
0.05187
37
0.00000
0.32222
-0.54611
38
0.00000
0.00000
0.00008
39
0.00000
0.00002
-0.00005
40
0.00000
0.32222
0.54611
41
0.00000
-0.21920
0.00612
42
0.00000
-0.21919
-0.00612