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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.19300
Diff mu Y
(Debye)
-0.57800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.10118
0.07357
0.00000
2
-0.09271
0.07431
0.00000
3
-0.01226
-0.01890
0.00000
4
-0.02105
0.00578
0.00000
5
-0.03151
-0.01674
0.00000
6
-0.03181
-0.00566
0.00000
7
0.03038
0.01594
0.00000
8
0.04289
0.00321
0.00000
9
0.06436
-0.00609
0.00000
10
0.04938
0.03142
0.00000
11
0.01062
-0.02338
0.00000
12
0.10466
-0.06013
0.00000
13
0.06056
-0.07984
0.00000
14
-0.04042
-0.01689
0.00000
15
0.00136
-0.02819
0.00000
16
-0.01303
0.00417
0.00000
17
-0.01763
0.00605
0.00000
18
0.02630
0.00953
0.00000
19
0.00812
0.01276
0.00000
20
-0.04378
0.02266
0.00000
21
-0.03314
0.09474
0.00000
22
0.03249
-0.02273
0.00000
23
0.04927
-0.05243
0.00000
24
-0.02601
0.12215
0.00000
25
0.10266
-0.06966
0.00000
26
0.04999
-0.11312
0.00000
27
-0.03025
-0.03198
0.00000
28
-0.11792
-0.01812
0.00000
29
0.04349
0.02245
0.00000
30
0.06651
-0.03333
0.00000
31
-0.01551
0.01498
0.00000
32
-0.04120
0.04431
0.00000