Charge: 2
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+2
Electronic States
Energy
(eV)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.32100
Diff mu Y
(Debye)
-0.73200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01681
-0.02172
0.00000
2
-0.02551
-0.04372
0.00000
3
-0.02765
0.06188
0.00000
4
-0.00714
-0.01410
0.00000
5
-0.01297
0.00474
0.00000
6
-0.01365
-0.02985
0.00000
7
0.02561
0.02082
0.00000
8
0.04428
-0.02312
0.00000
9
0.01110
-0.00369
0.00000
10
0.01910
0.01754
0.00000
11
-0.06602
0.06387
0.00000
12
-0.04090
-0.00283
0.00000
13
0.00880
-0.00079
0.00000
14
0.04872
0.03778
0.00000
15
0.00008
0.00031
0.00000
16
-0.00373
0.01618
0.00000
17
0.07251
-0.08474
0.00000
18
0.04635
0.01524
0.00000
19
-0.07050
0.09300
0.00000
20
0.01541
-0.05093
0.00000
21
0.07870
-0.03917
0.00000
22
0.03520
-0.06590
0.00000
23
-0.00939
-0.06924
0.00000
24
-0.01861
0.06393
0.00000
25
-0.05577
-0.03537
0.00000
26
0.01712
0.02371
0.00000
27
0.09024
-0.00193
0.00000
28
-0.05462
0.00933
0.00000
29
-0.23087
0.06339
0.00000
30
0.08971
-0.01964
0.00000
31
0.01758
-0.32624
0.00000
32
-0.04358
-0.26813
0.00000