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)
-0.20700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00076
-0.02865
2
0.00000
0.00076
-0.02865
3
0.00000
0.00333
-0.06249
4
0.00000
-0.00813
-0.00515
5
0.00000
0.00814
-0.00515
6
0.00000
-0.00333
-0.06249
7
0.00000
-0.00347
-0.06701
8
0.00000
-0.02269
0.01509
9
0.00000
0.02270
0.01508
10
0.00000
0.00347
-0.06701
11
0.00000
0.00631
-0.04236
12
0.00000
-0.00123
0.00162
13
0.00000
0.00123
0.00162
14
0.00000
-0.00631
-0.04236
15
0.00000
0.00685
0.01861
16
0.00000
-0.00685
0.01861
17
0.00000
-0.03282
-0.02233
18
0.00000
-0.02270
0.05286
19
0.00000
0.02270
0.05286
20
0.00000
0.03282
-0.02233
21
0.00000
-0.00567
-0.04684
22
0.00000
-0.03544
0.06931
23
0.00000
0.03544
0.06931
24
0.00000
0.00567
-0.04684
25
0.00000
0.07863
0.02085
26
0.00000
-0.07863
0.02085
27
0.00000
0.00349
0.08575
28
0.00000
-0.00349
0.08575
29
0.00000
-0.03164
-0.04597
30
0.00000
-0.02401
0.04025
31
0.00000
0.02401
0.04025
32
0.00000
0.03164
-0.04598
33
0.00000
0.03461
-0.02139
34
0.00000
-0.01830
0.08018
35
0.00000
0.01830
0.08018
36
0.00000
-0.03460
-0.02139
37
0.00000
-0.06264
0.04802
38
0.00000
0.01195
0.00996
39
0.00000
-0.01195
0.00996
40
0.00000
0.06264
0.04802
41
0.00000
0.07598
0.01693
42
0.00000
-0.07598
0.01692