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)
0.16700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02529
0.02609
2
0.00000
0.02529
-0.02609
3
0.00000
-0.03500
0.00929
4
0.00000
0.01289
0.00570
5
0.00000
0.01289
-0.00570
6
0.00000
-0.03500
-0.00929
7
0.00000
0.01490
-0.02377
8
0.00000
-0.01266
0.02185
9
0.00000
-0.01266
-0.02185
10
0.00000
0.01490
0.02377
11
0.00000
0.04990
-0.04219
12
0.00000
-0.00026
-0.01178
13
0.00000
-0.00026
0.01178
14
0.00000
0.04990
0.04219
15
0.00000
0.00759
0.07436
16
0.00000
0.00759
-0.07436
17
0.00000
0.02922
0.02024
18
0.00000
-0.02987
-0.01083
19
0.00000
-0.02987
0.01083
20
0.00000
0.02922
-0.02024
21
0.00000
-0.02286
-0.04339
22
0.00000
0.00373
0.02138
23
0.00000
0.00373
-0.02138
24
0.00000
-0.02286
0.04339
25
0.00000
-0.01805
0.03680
26
0.00000
-0.01805
-0.03680
27
0.00000
-0.00912
-0.00998
28
0.00000
-0.00912
0.00998
29
0.00000
0.03662
-0.12113
30
0.00000
-0.03391
0.34675
31
0.00000
-0.03391
-0.34675
32
0.00000
0.03661
0.12112
33
0.00000
-0.06705
-0.07446
34
0.00000
-0.01155
0.01663
35
0.00000
-0.01153
-0.01663
36
0.00000
-0.06705
0.07446
37
0.00000
-0.06554
-0.04368
38
0.00000
-0.02848
-0.02877
39
0.00000
-0.02848
0.02877
40
0.00000
-0.06553
0.04368
41
0.00000
-0.01707
0.29489
42
0.00000
-0.01707
-0.29489