Charge: 1
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+1
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)
-0.06800
Eigenvectors
#
X
Y
Z
1
0.00000
0.11044
0.01414
2
0.00000
-0.11044
0.01414
3
0.00000
0.04375
0.04308
4
0.00000
-0.03438
-0.03238
5
0.00000
0.03438
-0.03238
6
0.00000
-0.04376
0.04308
7
0.00000
-0.00385
-0.03867
8
0.00000
-0.01582
0.01486
9
0.00000
0.01582
0.01486
10
0.00000
0.00385
-0.03867
11
0.00000
-0.01899
-0.03132
12
0.00000
0.00248
-0.00504
13
0.00000
-0.00248
-0.00504
14
0.00000
0.01900
-0.03132
15
0.00000
0.03448
0.00920
16
0.00000
-0.03448
0.00920
17
0.00000
-0.05591
0.02993
18
0.00000
0.07901
-0.02793
19
0.00000
-0.07901
-0.02793
20
0.00000
0.05591
0.02993
21
0.00000
0.01571
-0.00391
22
0.00000
-0.01010
-0.00095
23
0.00000
0.01009
-0.00095
24
0.00000
-0.01571
-0.00391
25
0.00000
-0.01959
0.00657
26
0.00000
0.01959
0.00657
27
0.00000
-0.00534
0.01389
28
0.00000
0.00534
0.01389
29
0.00000
-0.05804
0.04754
30
0.00000
0.08258
-0.03394
31
0.00000
-0.08258
-0.03394
32
0.00000
0.05803
0.04754
33
0.00000
0.15286
0.07884
34
0.00000
-0.15051
-0.08259
35
0.00000
0.15051
-0.08259
36
0.00000
-0.15286
0.07884
37
0.00000
-0.00154
0.01816
38
0.00000
0.03176
0.01198
39
0.00000
-0.03176
0.01199
40
0.00000
0.00154
0.01816
41
0.00000
-0.02071
0.06158
42
0.00000
0.02071
0.06158