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)
-0.05000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00270
0.06304
2
0.00000
-0.00271
-0.06304
3
0.00000
-0.03640
0.01489
4
0.00000
0.03057
-0.05461
5
0.00000
0.03057
0.05461
6
0.00000
-0.03640
-0.01489
7
0.00000
-0.04576
-0.04794
8
0.00000
0.01136
-0.01142
9
0.00000
0.01136
0.01142
10
0.00000
-0.04576
0.04794
11
0.00000
-0.05066
-0.05277
12
0.00000
-0.00878
0.05245
13
0.00000
-0.00878
-0.05245
14
0.00000
-0.05066
0.05277
15
0.00000
0.00186
0.01107
16
0.00000
0.00186
-0.01106
17
0.00000
0.02798
0.01011
18
0.00000
-0.00489
0.00236
19
0.00000
-0.00490
-0.00236
20
0.00000
0.02798
-0.01011
21
0.00000
0.03209
-0.01963
22
0.00000
-0.01884
0.02238
23
0.00000
-0.01884
-0.02238
24
0.00000
0.03209
0.01963
25
0.00000
0.08470
-0.00589
26
0.00000
0.08470
0.00589
27
0.00000
-0.03762
0.05921
28
0.00000
-0.03762
-0.05921
29
0.00000
0.03054
0.07808
30
0.00000
-0.00583
-0.05142
31
0.00000
-0.00583
0.05142
32
0.00000
0.03054
-0.07807
33
0.00000
0.09413
0.01387
34
0.00000
-0.00770
0.03060
35
0.00000
-0.00770
-0.03060
36
0.00000
0.09413
-0.01387
37
0.00000
-0.05982
0.04541
38
0.00000
0.06855
0.09849
39
0.00000
0.06855
-0.09849
40
0.00000
-0.05982
-0.04541
41
0.00000
0.08375
-0.01481
42
0.00000
0.08375
0.01481