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)
0.11800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02130
-0.09957
2
0.00000
0.02129
0.09957
3
0.00000
0.01644
0.03762
4
0.00000
-0.02075
-0.09278
5
0.00000
-0.02075
0.09279
6
0.00000
0.01644
-0.03762
7
0.00000
-0.01453
0.01777
8
0.00000
-0.00074
-0.00224
9
0.00000
-0.00074
0.00224
10
0.00000
-0.01453
-0.01777
11
0.00000
0.00201
0.01171
12
0.00000
0.01047
0.02845
13
0.00000
0.01047
-0.02845
14
0.00000
0.00201
-0.01171
15
0.00000
-0.01602
0.00341
16
0.00000
-0.01602
-0.00342
17
0.00000
0.01894
0.03821
18
0.00000
-0.01455
-0.06404
19
0.00000
-0.01455
0.06404
20
0.00000
0.01894
-0.03821
21
0.00000
-0.02403
-0.04493
22
0.00000
0.02222
0.05070
23
0.00000
0.02222
-0.05070
24
0.00000
-0.02403
0.04493
25
0.00000
0.01048
-0.01939
26
0.00000
0.01048
0.01938
27
0.00000
-0.01812
-0.01248
28
0.00000
-0.01812
0.01248
29
0.00000
0.02424
-0.07366
30
0.00000
-0.02057
0.11717
31
0.00000
-0.02058
-0.11717
32
0.00000
0.02424
0.07365
33
0.00000
0.10644
0.03081
34
0.00000
-0.04912
0.01762
35
0.00000
-0.04913
-0.01762
36
0.00000
0.10645
-0.03081
37
0.00000
0.11016
0.06126
38
0.00000
-0.10196
-0.03571
39
0.00000
-0.10197
0.03572
40
0.00000
0.11016
-0.06126
41
0.00000
0.01284
0.08923
42
0.00000
0.01284
-0.08922