File:Trimethobenzamidefinal.png

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Summary

Description
English: Optimized geometry from the computational calculation using HF/6-31G
Z-matrix
O
C 1 1.377327
C 2 1.383941 1 118.803333
H 3 1.071103 2 117.432431 1 0.439868
C 2 1.387826 1 120.928166 3 -176.796870
O 5 1.376006 2 120.112682 1 -4.396026
C 5 1.389563 2 119.512026 1 176.651340
O 7 1.378146 5 119.787618 2 -177.373642
C 7 1.381217 5 120.463080 2 -0.276946
H 9 1.069929 7 119.893926 5 -178.160987
C 9 1.389616 7 119.988345 5 0.649996
C 8 1.445029 7 118.380678 5 -77.013514
H 12 1.076303 8 105.623559 7 -179.251166
H 12 1.078797 8 110.364059 7 61.382251
H 12 1.081813 8 110.080062 7 -60.627751
C 1 1.445057 2 118.964914 3 -112.637495
H 16 1.076410 1 105.499230 2 179.021497
H 16 1.077482 1 110.443197 2 -61.512266
H 16 1.082339 1 110.053773 2 60.518432
C 6 1.449545 5 117.409652 2 97.045191
H 20 1.076331 6 105.662365 5 179.438981
H 20 1.079052 6 109.899215 5 60.304556
H 20 1.080115 6 109.827417 5 -61.641556
C 11 1.492543 9 117.506802 7 -179.727082
O 24 1.232956 11 120.941193 9 19.904671
N 24 1.350794 11 117.645228 9 -159.437179
H 26 0.990527 24 120.390073 11 8.507068
C 26 1.461735 24 121.882523 11 -178.733121
H 28 1.080355 26 107.712620 24 39.249108
H 28 1.083913 26 110.094435 24 -76.808448
C 28 1.510355 26 110.734314 24 161.105407
C 31 1.389209 28 120.768621 26 -68.970967
H 32 1.074074 31 119.495811 28 -0.240954
C 32 1.388312 31 121.442229 28 179.874109
H 34 1.070787 32 119.534359 31 179.916605
C 34 1.388041 32 119.479340 31 0.135478
O 36 1.370921 34 123.894107 32 179.944806
C 36 1.388669 34 119.927796 32 -0.065036
H 38 1.071027 36 118.612488 34 179.895791
C 38 1.382669 36 119.863754 34 -0.039092
H 40 1.073974 38 119.198894 36 179.889142
C 37 1.435269 36 122.463332 34 -1.537252
H 42 1.081907 37 110.402714 36 60.696730
H 42 1.082706 37 109.764105 36 -59.156669
C 42 1.517250 37 106.395815 36 -179.980475
H 45 1.081342 42 108.161740 37 -62.058037
H 45 1.088590 42 109.299411 37 53.966817
N 45 1.458566 42 110.486643 37 178.003796
C 48 1.454751 45 115.826014 42 137.798729
H 49 1.081541 48 109.940880 45 -51.436614
H 49 1.082345 48 109.468197 45 -169.753421
H 49 1.092497 48 113.081403 45 69.760491
C 48 1.455082 45 114.968647 42 -86.212565
H 53 1.081468 48 110.432668 45 49.364531
H 53 1.082159 48 109.751495 45 167.943919
H 53 1.092629 48 112.596618 45 -71.393977
Date
Source Own work
Author Panisanun

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2 November 2015

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Date/TimeThumbnailDimensionsUserComment
current07:23, 2 November 2015Thumbnail for version as of 07:23, 2 November 2015900 × 484 (97 KB)commons>PanisanunUser created page with UploadWizard

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