File:Metoclofinal.png

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Metoclofinal.png ‎(683 × 405 pixels, file size: 115 KB, MIME type: image/png)

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Summary

Description
English: Optimized geometry from the computational calculation using HF/6-31G
Z-matrix
Cl
C 1 1.813817
C 2 1.370540 1 119.151459
H 3 1.069790 2 120.573423 1 -0.053417
C 3 1.391591 2 121.850145 1 -179.991014
C 2 1.393379 1 119.255059 3 -180.000000
N 6 1.361929 2 122.430081 1 -0.013174
H 7 0.989087 6 120.836625 2 179.981304
H 7 0.989502 6 121.047015 2 0.041162
C 6 1.400141 2 117.085823 1 -179.990216
H 10 1.069729 6 118.149501 2 179.952610
C 10 1.382878 6 121.300416 2 -0.016529
O 12 1.370987 10 120.938471 6 179.948694
C 13 1.434054 12 122.771476 10 1.055408
H 14 1.075865 13 105.334385 12 179.221100
H 14 1.080688 13 110.724336 12 60.569230
H 14 1.080706 13 110.730754 12 -62.135354
C 5 1.491131 3 115.747300 2 179.913109
O 18 1.240435 5 119.303319 3 -0.393562
N 18 1.344099 5 119.424704 3 179.605016
H 20 0.991098 18 118.326406 5 0.039018
C 20 1.455352 18 121.720138 5 178.878064
H 22 1.078614 20 108.435245 18 -36.642191
H 22 1.081976 20 108.492932 18 -153.806340
C 22 1.529241 20 112.215422 18 85.486716
H 25 1.083225 22 108.408176 20 62.707859
H 25 1.089363 22 108.916254 20 -53.702146
N 25 1.460929 22 111.305773 20 -177.820629
C 28 1.461890 25 115.276621 22 -149.174189
H 29 1.082933 28 107.656893 25 37.798804
H 29 1.094192 28 111.301150 25 -78.820836
C 28 1.470566 25 114.688991 22 72.942142
H 32 1.085098 28 108.930093 25 5.838998
H 32 1.088016 28 109.558248 25 121.345787
C 29 1.526302 28 113.227547 25 157.610277
H 35 1.082903 29 110.217923 28 -55.827904
H 35 1.083093 29 111.992994 28 64.736878
H 35 1.085236 29 110.172908 28 -175.666992
C 32 1.528109 28 113.504409 25 -115.916628
H 39 1.082295 32 111.308693 28 -60.057618
H 39 1.083004 32 110.663397 28 59.629236
H 39 1.085940 32 110.615497 28 179.500656
Date
Source Own work
Author Panisanun

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31 October 2015

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Date/TimeThumbnailDimensionsUserComment
current07:15, 31 October 2015Thumbnail for version as of 07:15, 31 October 2015683 × 405 (115 KB)commons>PanisanunUser created page with UploadWizard

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