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)
0.46600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03214
0.04548
2
0.00000
-0.03214
-0.04548
3
0.00000
0.00724
-0.01894
4
0.00000
0.01102
0.06566
5
0.00000
0.01101
-0.06567
6
0.00000
0.00724
0.01894
7
0.00000
-0.01754
-0.00371
8
0.00000
-0.02958
-0.05825
9
0.00000
-0.02958
0.05825
10
0.00000
-0.01754
0.00371
11
0.00000
0.00096
0.02415
12
0.00000
0.01159
0.02235
13
0.00000
0.01158
-0.02235
14
0.00000
0.00096
-0.02415
15
0.00000
0.02876
-0.03977
16
0.00000
0.02876
0.03977
17
0.00000
-0.01538
-0.00290
18
0.00000
-0.03362
-0.08848
19
0.00000
-0.03362
0.08848
20
0.00000
-0.01538
0.00290
21
0.00000
0.02233
0.01481
22
0.00000
0.06598
0.07438
23
0.00000
0.06598
-0.07439
24
0.00000
0.02233
-0.01481
25
0.00000
-0.00699
-0.03939
26
0.00000
-0.00699
0.03939
27
0.00000
0.01306
0.02702
28
0.00000
0.01306
-0.02702
29
0.00000
-0.01790
0.00262
30
0.00000
-0.04090
0.10564
31
0.00000
-0.04090
-0.10565
32
0.00000
-0.01790
-0.00262
33
0.00000
-0.04005
-0.02153
34
0.00000
-0.12480
-0.02689
35
0.00000
-0.12481
0.02689
36
0.00000
-0.04005
0.02153
37
0.00000
-0.04276
-0.00255
38
0.00000
-0.03222
-0.00260
39
0.00000
-0.03222
0.00259
40
0.00000
-0.04276
0.00255
41
0.00000
-0.00714
0.05996
42
0.00000
-0.00714
-0.05996