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)
0.15100
Eigenvectors
#
X
Y
Z
1
0.00000
0.04143
-0.01909
2
0.00000
-0.04143
-0.01909
3
0.00000
-0.04415
-0.00075
4
0.00000
0.01017
0.02466
5
0.00000
-0.01017
0.02466
6
0.00000
0.04415
-0.00075
7
0.00000
0.04372
0.01235
8
0.00000
0.00493
-0.02354
9
0.00000
-0.00493
-0.02354
10
0.00000
-0.04372
0.01235
11
0.00000
-0.02340
-0.00647
12
0.00000
-0.08773
-0.00909
13
0.00000
0.08773
-0.00909
14
0.00000
0.02340
-0.00647
15
0.00000
-0.03680
0.03873
16
0.00000
0.03680
0.03873
17
0.00000
0.02719
0.00860
18
0.00000
-0.03072
-0.07988
19
0.00000
0.03072
-0.07988
20
0.00000
-0.02719
0.00860
21
0.00000
-0.05088
-0.03005
22
0.00000
0.05143
0.06361
23
0.00000
-0.05143
0.06361
24
0.00000
0.05088
-0.03005
25
0.00000
0.00900
0.01250
26
0.00000
-0.00900
0.01250
27
0.00000
-0.01453
-0.00870
28
0.00000
0.01453
-0.00870
29
0.00000
0.02951
0.00417
30
0.00000
-0.03363
0.10269
31
0.00000
0.03363
0.10269
32
0.00000
-0.02951
0.00417
33
0.00000
0.09574
0.05792
34
0.00000
-0.10594
-0.02282
35
0.00000
0.10594
-0.02282
36
0.00000
-0.09574
0.05792
37
0.00000
0.00906
0.00603
38
0.00000
0.06373
0.08915
39
0.00000
-0.06373
0.08915
40
0.00000
-0.00906
0.00603
41
0.00000
0.00993
-0.03319
42
0.00000
-0.00993
-0.03319