Charge: -1
Inchi:1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H/q-1
Electronic States
Energy
(eV)
-1074.10796
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03681
0.00000
2
0.00000
0.03681
0.00000
3
0.01138
0.00577
0.00000
4
0.01138
-0.00577
0.00000
5
-0.01138
0.00577
0.00000
6
-0.01138
-0.00577
0.00000
7
-0.01059
0.04678
0.00000
8
-0.01060
-0.04678
0.00000
9
0.01059
0.04677
0.00000
10
0.01060
-0.04677
0.00000
11
-0.01347
-0.00211
0.00000
12
-0.01347
0.00211
0.00000
13
0.01347
-0.00211
0.00000
14
0.01347
0.00211
0.00000
15
0.00000
-0.04724
0.00000
16
0.00000
0.04724
0.00000
17
-0.00715
0.06037
0.00000
18
-0.00715
-0.06037
0.00000
19
0.00715
0.06037
0.00000
20
0.00715
-0.06037
0.00000
21
0.04219
-0.00613
0.00000
22
0.04219
0.00613
0.00000
23
-0.04219
-0.00613
0.00000
24
-0.04219
0.00613
0.00000
25
-0.01200
-0.02792
0.00000
26
-0.01200
0.02793
0.00000
27
0.01200
-0.02792
0.00000
28
0.01200
0.02793
0.00000
29
0.00000
0.18085
0.00000
30
0.00000
-0.18085
0.00000
31
-0.00309
-0.24257
0.00000
32
-0.00309
0.24258
0.00000
33
0.00309
-0.24257
0.00000
34
0.00309
0.24258
0.00000
35
-0.15949
-0.12616
0.00000
36
-0.15950
0.12617
0.00000
37
0.15949
-0.12616
0.00000
38
0.15950
0.12617
0.00000
39
0.00522
-0.04399
0.00000
40
0.00521
0.04399
0.00000
41
-0.00522
-0.04399
0.00000
42
-0.00521
0.04399
0.00000