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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
-0.35300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00345
-0.01254
2
0.00000
-0.00345
-0.01254
3
0.00000
0.01348
-0.03101
4
0.00000
-0.00184
0.02352
5
0.00000
0.00184
0.02352
6
0.00000
-0.01348
-0.03101
7
0.00000
0.06243
-0.01891
8
0.00000
0.01834
0.05703
9
0.00000
-0.01834
0.05703
10
0.00000
-0.06243
-0.01891
11
0.00000
0.00702
0.01274
12
0.00000
-0.00271
0.09940
13
0.00000
0.00271
0.09940
14
0.00000
-0.00702
0.01274
15
0.00000
0.01375
-0.04620
16
0.00000
-0.01375
-0.04620
17
0.00000
0.06691
-0.03766
18
0.00000
0.02809
-0.02187
19
0.00000
-0.02809
-0.02187
20
0.00000
-0.06691
-0.03766
21
0.00000
0.08275
-0.05140
22
0.00000
0.01885
-0.00512
23
0.00000
-0.01885
-0.00512
24
0.00000
-0.08275
-0.05140
25
0.00000
-0.00339
0.01278
26
0.00000
0.00339
0.01278
27
0.00000
0.00025
0.01537
28
0.00000
-0.00025
0.01537
29
0.00000
0.06777
0.00786
30
0.00000
0.02666
0.00157
31
0.00000
-0.02666
0.00157
32
0.00000
-0.06777
0.00786
33
0.00000
0.07770
-0.05564
34
0.00000
-0.02530
-0.02837
35
0.00000
0.02530
-0.02837
36
0.00000
-0.07770
-0.05564
37
0.00000
0.00106
0.01546
38
0.00000
-0.02305
0.08865
39
0.00000
0.02305
0.08865
40
0.00000
-0.00106
0.01546
41
0.00000
-0.00346
0.01661
42
0.00000
0.00346
0.01661