Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.04800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00731
0.08907
2
0.00000
0.00731
-0.08907
3
0.00000
0.05021
0.05280
4
0.00000
-0.07641
-0.04217
5
0.00000
-0.07641
0.04217
6
0.00000
0.05021
-0.05280
7
0.00000
-0.00186
0.02562
8
0.00000
-0.02597
-0.00540
9
0.00000
-0.02597
0.00540
10
0.00000
-0.00186
-0.02562
11
0.00000
0.02850
0.00750
12
0.00000
0.00935
-0.02317
13
0.00000
0.00935
0.02317
14
0.00000
0.02850
-0.00750
15
0.00000
0.02370
0.02376
16
0.00000
0.02370
-0.02377
17
0.00000
-0.05180
-0.02714
18
0.00000
0.07703
0.00877
19
0.00000
0.07703
-0.00877
20
0.00000
-0.05180
0.02715
21
0.00000
-0.03293
-0.02888
22
0.00000
-0.01014
0.05305
23
0.00000
-0.01013
-0.05305
24
0.00000
-0.03293
0.02889
25
0.00000
0.01978
-0.00972
26
0.00000
0.01978
0.00972
27
0.00000
-0.01117
-0.00171
28
0.00000
-0.01117
0.00171
29
0.00000
-0.05227
-0.05654
30
0.00000
0.07778
-0.02587
31
0.00000
0.07778
0.02586
32
0.00000
-0.05227
0.05654
33
0.00000
-0.04116
-0.03236
34
0.00000
-0.03928
0.03572
35
0.00000
-0.03928
-0.03573
36
0.00000
-0.04116
0.03236
37
0.00000
-0.02320
-0.00910
38
0.00000
-0.00762
-0.03316
39
0.00000
-0.00762
0.03316
40
0.00000
-0.02320
0.00910
41
0.00000
0.01909
-0.04665
42
0.00000
0.01909
0.04664