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)
-0.08700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00124
0.01956
2
0.00000
0.00124
-0.01956
3
0.00000
-0.00558
0.02144
4
0.00000
-0.00610
-0.02119
5
0.00000
-0.00610
0.02119
6
0.00000
-0.00558
-0.02145
7
0.00000
-0.00107
0.02545
8
0.00000
-0.00507
-0.02270
9
0.00000
-0.00507
0.02270
10
0.00000
-0.00107
-0.02545
11
0.00000
0.02847
0.01646
12
0.00000
0.11103
-0.04111
13
0.00000
0.11103
0.04111
14
0.00000
0.02847
-0.01645
15
0.00000
0.00786
-0.01773
16
0.00000
0.00786
0.01773
17
0.00000
0.01782
-0.05280
18
0.00000
-0.07612
-0.04225
19
0.00000
-0.07612
0.04225
20
0.00000
0.01783
0.05280
21
0.00000
-0.00461
-0.04280
22
0.00000
-0.06056
-0.04483
23
0.00000
-0.06056
0.04483
24
0.00000
-0.00461
0.04280
25
0.00000
0.01228
0.00562
26
0.00000
0.01229
-0.00562
27
0.00000
-0.01556
0.01692
28
0.00000
-0.01556
-0.01692
29
0.00000
0.01864
-0.07241
30
0.00000
-0.07610
-0.10517
31
0.00000
-0.07610
0.10517
32
0.00000
0.01864
0.07241
33
0.00000
-0.05157
-0.07084
34
0.00000
-0.06766
-0.04764
35
0.00000
-0.06766
0.04764
36
0.00000
-0.05157
0.07084
37
0.00000
-0.00833
0.02077
38
0.00000
0.12586
-0.03159
39
0.00000
0.12586
0.03159
40
0.00000
-0.00834
-0.02077
41
0.00000
0.01090
-0.04135
42
0.00000
0.01091
0.04135