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)
0.16100
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03295
0.00213
2
0.00000
0.03295
0.00214
3
0.00000
0.00732
-0.05454
4
0.00000
0.08446
0.02556
5
0.00000
-0.08446
0.02556
6
0.00000
-0.00732
-0.05454
7
0.00000
-0.02207
0.06862
8
0.00000
-0.00573
-0.03341
9
0.00000
0.00574
-0.03340
10
0.00000
0.02206
0.06862
11
0.00000
-0.02484
-0.01245
12
0.00000
-0.02016
0.00751
13
0.00000
0.02016
0.00751
14
0.00000
0.02484
-0.01245
15
0.00000
0.10960
0.00320
16
0.00000
-0.10960
0.00320
17
0.00000
-0.02187
-0.00575
18
0.00000
0.02965
-0.01363
19
0.00000
-0.02965
-0.01363
20
0.00000
0.02187
-0.00575
21
0.00000
-0.00833
-0.01829
22
0.00000
-0.00286
0.01744
23
0.00000
0.00286
0.01744
24
0.00000
0.00833
-0.01829
25
0.00000
0.00745
0.00249
26
0.00000
-0.00745
0.00249
27
0.00000
-0.01620
-0.00428
28
0.00000
0.01620
-0.00428
29
0.00000
-0.02158
0.19178
30
0.00000
0.02940
-0.11506
31
0.00000
-0.02940
-0.11505
32
0.00000
0.02158
0.19177
33
0.00000
0.15192
0.08086
34
0.00000
-0.02631
0.00269
35
0.00000
0.02630
0.00269
36
0.00000
-0.15192
0.08086
37
0.00000
0.03025
0.02317
38
0.00000
0.04294
0.04793
39
0.00000
-0.04294
0.04792
40
0.00000
-0.03024
0.02317
41
0.00000
0.00722
-0.04794
42
0.00000
-0.00722
-0.04795