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)
0.09400
Diff mu Y
(Debye)
-0.99700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00004
0.00006
0.00000
2
-0.00008
0.00042
0.00000
3
-0.00017
0.00002
0.00000
4
0.00013
0.00171
0.00000
5
0.00012
0.00015
0.00000
6
-0.00073
0.00145
0.00000
7
0.00020
0.00038
0.00000
8
0.00404
-0.00144
0.00000
9
-0.00348
0.00151
0.00000
10
-0.00443
-0.00448
0.00000
11
0.00009
0.00011
0.00000
12
0.03593
-0.00902
0.00000
13
-0.00083
0.00026
0.00000
14
-0.02728
-0.02138
0.00000
15
0.00007
-0.00025
0.00000
16
0.01310
-0.06631
0.00000
17
-0.00608
0.00148
0.00000
18
0.00277
0.00199
0.00000
19
-0.00209
0.00978
0.00000
20
-0.00496
0.00090
0.00000
21
-0.00311
-0.00318
0.00000
22
-0.04633
0.01387
0.00000
23
0.04054
-0.01416
0.00000
24
0.05237
0.04661
0.00000
25
-0.38356
0.12389
0.00000
26
0.00960
-0.00312
0.00000
27
0.28295
0.25076
0.00000
28
-0.15025
0.73792
0.00000
29
0.02597
-0.10900
0.00000
30
-0.02796
-0.02602
0.00000
31
0.07150
-0.01914
0.00000
32
0.05226
-0.01415
0.00000