Charge: 1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+1
Electronic States
Energy
(eV)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.22100
Diff mu Y
(Debye)
-0.18800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01592
0.04833
0.00000
2
-0.00134
-0.03400
0.00000
3
-0.01278
-0.05694
0.00000
4
0.00118
0.03270
0.00000
5
-0.00339
-0.04982
0.00000
6
0.00236
0.01552
0.00000
7
-0.01720
0.06091
0.00000
8
-0.00106
-0.06339
0.00000
9
0.00101
0.02720
0.00000
10
0.00520
-0.01929
0.00000
11
0.02094
0.07381
0.00000
12
0.00159
-0.00992
0.00000
13
0.01804
0.06340
0.00000
14
0.00293
-0.00486
0.00000
15
-0.02588
-0.08358
0.00000
16
-0.00361
0.00166
0.00000
17
-0.00934
-0.10324
0.00000
18
-0.01449
0.07841
0.00000
19
-0.05751
-0.06204
0.00000
20
0.04886
0.09953
0.00000
21
0.08857
-0.05496
0.00000
22
0.04585
0.06519
0.00000
23
-0.02202
-0.03769
0.00000
24
-0.02507
0.01201
0.00000
25
0.00923
0.01060
0.00000
26
-0.03251
-0.09458
0.00000
27
-0.00139
0.00057
0.00000
28
0.00700
0.00361
0.00000
29
0.11477
-0.02824
0.00000
30
0.11016
-0.04150
0.00000
31
0.05961
0.13977
0.00000
32
-0.01389
-0.14587
0.00000