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)
0.62900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00059
0.02364
2
0.00000
0.00059
-0.02364
3
0.00000
-0.02213
0.01780
4
0.00000
0.02156
-0.01410
5
0.00000
0.02156
0.01411
6
0.00000
-0.02213
-0.01780
7
0.00000
-0.04171
0.04490
8
0.00000
0.04415
-0.02619
9
0.00000
0.04415
0.02620
10
0.00000
-0.04171
-0.04490
11
0.00000
-0.05131
0.02351
12
0.00000
0.05167
-0.01239
13
0.00000
0.05167
0.01240
14
0.00000
-0.05131
-0.02352
15
0.00000
-0.00207
0.03267
16
0.00000
-0.00207
-0.03267
17
0.00000
-0.03178
0.04986
18
0.00000
0.02968
-0.04377
19
0.00000
0.02968
0.04377
20
0.00000
-0.03177
-0.04986
21
0.00000
-0.06218
0.04415
22
0.00000
0.05693
-0.03377
23
0.00000
0.05693
0.03377
24
0.00000
-0.06217
-0.04415
25
0.00000
-0.02169
0.06874
26
0.00000
-0.02169
-0.06875
27
0.00000
0.02182
0.03525
28
0.00000
0.02182
-0.03526
29
0.00000
-0.03195
0.01961
30
0.00000
0.03009
-0.01241
31
0.00000
0.03009
0.01241
32
0.00000
-0.03195
-0.01961
33
0.00000
-0.05728
0.04786
34
0.00000
0.04986
-0.03743
35
0.00000
0.04986
0.03743
36
0.00000
-0.05728
-0.04786
37
0.00000
0.06872
0.06237
38
0.00000
0.03941
-0.01909
39
0.00000
0.03941
0.01910
40
0.00000
0.06872
-0.06238
41
0.00000
-0.02177
0.09968
42
0.00000
-0.02177
-0.09969