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)
-0.35700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04561
-0.07041
2
0.00000
-0.04561
0.07040
3
0.00000
0.02006
0.03038
4
0.00000
-0.00341
-0.06561
5
0.00000
-0.00340
0.06562
6
0.00000
0.02005
-0.03038
7
0.00000
0.02698
0.01895
8
0.00000
0.02388
0.02527
9
0.00000
0.02389
-0.02528
10
0.00000
0.02698
-0.01896
11
0.00000
-0.00598
-0.01520
12
0.00000
-0.01530
-0.01611
13
0.00000
-0.01531
0.01612
14
0.00000
-0.00599
0.01521
15
0.00000
0.04996
0.00971
16
0.00000
0.04997
-0.00970
17
0.00000
-0.00783
-0.04850
18
0.00000
-0.01065
-0.05209
19
0.00000
-0.01064
0.05209
20
0.00000
-0.00783
0.04849
21
0.00000
-0.03229
0.01065
22
0.00000
-0.01126
0.01854
23
0.00000
-0.01127
-0.01853
24
0.00000
-0.03230
-0.01064
25
0.00000
-0.01739
-0.02574
26
0.00000
-0.01738
0.02573
27
0.00000
0.02998
0.04791
28
0.00000
0.02998
-0.04790
29
0.00000
-0.00859
0.23663
30
0.00000
-0.01039
0.18811
31
0.00000
-0.01038
-0.18810
32
0.00000
-0.00859
-0.23661
33
0.00000
0.08429
0.08895
34
0.00000
0.04312
0.05633
35
0.00000
0.04317
-0.05635
36
0.00000
0.08432
-0.08897
37
0.00000
-0.16281
-0.06116
38
0.00000
0.06015
0.02758
39
0.00000
0.06016
-0.02758
40
0.00000
-0.16280
0.06116
41
0.00000
-0.01936
0.00221
42
0.00000
-0.01935
-0.00217