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)
0.18200
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00857
0.02406
2
0.00000
0.00858
0.02406
3
0.00000
0.01908
-0.01543
4
0.00000
-0.01512
-0.00344
5
0.00000
0.01512
-0.00344
6
0.00000
-0.01908
-0.01543
7
0.00000
-0.03566
-0.01153
8
0.00000
0.00138
-0.00862
9
0.00000
-0.00138
-0.00861
10
0.00000
0.03567
-0.01152
11
0.00000
-0.02238
0.04340
12
0.00000
-0.03288
-0.00189
13
0.00000
0.03289
-0.00189
14
0.00000
0.02237
0.04340
15
0.00000
0.00815
-0.05227
16
0.00000
-0.00816
-0.05227
17
0.00000
-0.00894
0.06320
18
0.00000
-0.01064
0.00878
19
0.00000
0.01064
0.00878
20
0.00000
0.00894
0.06320
21
0.00000
0.02624
-0.01269
22
0.00000
0.01890
0.01399
23
0.00000
-0.01890
0.01399
24
0.00000
-0.02624
-0.01269
25
0.00000
0.04409
-0.03471
26
0.00000
-0.04408
-0.03471
27
0.00000
-0.11311
-0.02023
28
0.00000
0.11311
-0.02023
29
0.00000
-0.00923
-0.13469
30
0.00000
-0.01326
-0.04043
31
0.00000
0.01326
-0.04043
32
0.00000
0.00923
-0.13470
33
0.00000
-0.09503
-0.08842
34
0.00000
-0.04983
-0.02415
35
0.00000
0.04982
-0.02414
36
0.00000
0.09504
-0.08843
37
0.00000
0.14292
0.13677
38
0.00000
0.03157
0.03888
39
0.00000
-0.03158
0.03888
40
0.00000
-0.14292
0.13676
41
0.00000
0.04908
0.19968
42
0.00000
-0.04908
0.19968