Charge: 0
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
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)
0.07200
Diff mu Y
(Debye)
0.16100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03832
-0.00361
0.00000
2
-0.00443
-0.03505
0.00000
3
-0.00874
0.06066
0.00000
4
0.00999
-0.02857
0.00000
5
-0.00620
-0.04079
0.00000
6
0.00976
0.01553
0.00000
7
0.01247
-0.02997
0.00000
8
0.00087
0.01929
0.00000
9
0.01019
0.02832
0.00000
10
0.00108
-0.02299
0.00000
11
0.01189
-0.03554
0.00000
12
0.01511
0.04766
0.00000
13
0.00881
0.02632
0.00000
14
0.02251
-0.01786
0.00000
15
-0.01919
-0.06465
0.00000
16
-0.04917
-0.01646
0.00000
17
-0.00482
0.03022
0.00000
18
0.00863
-0.02239
0.00000
19
-0.02309
-0.00894
0.00000
20
0.00137
0.03379
0.00000
21
0.16353
-0.19992
0.00000
22
0.06696
0.21854
0.00000
23
0.10860
0.31958
0.00000
24
0.13750
-0.17209
0.00000
25
0.09175
0.28095
0.00000
26
0.07848
0.24250
0.00000
27
0.07431
-0.07554
0.00000
28
-0.28431
-0.06463
0.00000
29
-0.12109
-0.03264
0.00000
30
0.09566
-0.11425
0.00000
31
0.01547
0.10263
0.00000
32
0.06464
0.26898
0.00000