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)
0.06100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06830
0.00012
2
0.00000
-0.06830
-0.00012
3
0.00000
-0.08258
-0.00827
4
0.00000
-0.08465
-0.00930
5
0.00000
-0.08465
0.00930
6
0.00000
-0.08258
0.00827
7
-0.00001
0.00458
0.00476
8
-0.00001
0.00380
0.00164
9
0.00001
0.00380
-0.00164
10
0.00001
0.00458
-0.00476
11
0.00000
-0.01168
-0.00142
12
0.00000
-0.00596
-0.00305
13
0.00000
-0.00596
0.00305
14
0.00000
-0.01168
0.00142
15
0.00000
0.00127
-0.00410
16
0.00000
0.00127
0.00410
17
0.00000
0.06427
-0.03225
18
0.00000
0.06147
-0.03151
19
0.00000
0.06147
0.03151
20
0.00000
0.06427
0.03225
21
0.00000
0.05364
-0.04872
22
0.00000
0.05156
-0.04846
23
0.00000
0.05156
0.04846
24
0.00000
0.05364
0.04872
25
0.00000
-0.01151
-0.00418
26
0.00000
-0.01151
0.00418
27
0.00000
0.01340
-0.01464
28
0.00000
0.01340
0.01464
29
-0.00002
0.06755
-0.00155
30
-0.00002
0.06479
-0.00225
31
0.00002
0.06479
0.00225
32
0.00002
0.06755
0.00155
33
-0.00001
0.01496
-0.07544
34
-0.00002
0.00699
-0.07702
35
0.00002
0.00699
0.07702
36
0.00001
0.01496
0.07544
37
0.00000
0.00915
-0.01703
38
0.00001
-0.02397
-0.01402
39
-0.00001
-0.02397
0.01402
40
0.00000
0.00915
0.01703
41
-0.00001
-0.01207
0.01192
42
0.00001
-0.01207
-0.01192