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)
-0.03500
Eigenvectors
#
X
Y
Z
1
0.00000
0.04290
-0.06926
2
0.00000
-0.04291
-0.06926
3
0.00000
0.05034
0.02084
4
0.00000
0.04446
0.06613
5
0.00000
-0.04445
0.06613
6
0.00000
-0.05034
0.02084
7
0.00000
-0.05091
-0.01365
8
0.00000
0.01371
-0.04601
9
0.00000
-0.01371
-0.04601
10
0.00000
0.05091
-0.01365
11
0.00000
0.04237
0.01094
12
0.00000
-0.01663
0.01125
13
0.00000
0.01663
0.01125
14
0.00000
-0.04237
0.01094
15
0.00000
-0.04970
0.01379
16
0.00000
0.04970
0.01379
17
0.00000
0.02314
0.00243
18
0.00000
0.01485
0.05052
19
0.00000
-0.01485
0.05052
20
0.00000
-0.02314
0.00243
21
0.00000
0.00033
-0.01603
22
0.00000
-0.03522
-0.03894
23
0.00000
0.03522
-0.03894
24
0.00000
-0.00034
-0.01603
25
0.00000
0.01280
0.05156
26
0.00000
-0.01280
0.05156
27
0.00000
-0.03491
-0.03503
28
0.00000
0.03491
-0.03503
29
0.00000
0.02666
-0.07995
30
0.00000
0.01961
-0.00830
31
0.00000
-0.01961
-0.00830
32
0.00000
-0.02666
-0.07995
33
0.00000
0.10884
0.04608
34
0.00000
0.01624
-0.01521
35
0.00000
-0.01624
-0.01521
36
0.00000
-0.10883
0.04607
37
0.00000
0.00771
-0.01344
38
0.00000
0.09085
0.07697
39
0.00000
-0.09085
0.07697
40
0.00000
-0.00771
-0.01344
41
0.00000
0.01308
-0.10803
42
0.00000
-0.01308
-0.10803