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	hartrees
Energy at 0K	-287.018515
Energy at 298.15K
HF Energy	-286.064095
Nuclear repulsion energy	248.326321

Atom	x (Å)	y (Å)	z (Å)
C1	-1.349	-1.263	-0.026
H2	-0.832	-2.161	-0.362
H3	-1.406	-1.288	1.060
H4	-2.359	-1.275	-0.433
C5	-1.349	1.263	-0.025
H6	-0.832	2.161	-0.362
H7	-1.406	1.288	1.061
C8	-0.610	0.000	-0.472
H9	-0.535	0.000	-1.563
N10	1.819	0.000	-0.755
H11	2.757	0.000	-0.399
H12	1.675	0.000	-1.745
C13	0.788	0.000	0.139
O14	0.960	-0.000	1.346
H15	-2.359	1.275	-0.433

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0895	1.0880	1.0894	2.5257	3.4790	2.7732	1.5297	2.1493	3.4875	4.3118	3.7010	2.4872	2.9678	2.7622
H2	1.0895		1.7651	1.7666	3.4790	4.3222	3.7750	2.1753	2.4899	3.4429	4.1897	3.5877	2.7469	3.2865	3.7612
H3	1.0880	1.7651		1.7718	2.7732	3.7750	2.5764	2.1546	3.0494	3.9187	4.5954	4.3619	2.7055	2.7092	3.1163
H4	1.0894	1.7666	1.7718		2.7621	3.7612	3.1163	2.1652	2.4959	4.3804	5.2728	4.4301	3.4432	3.9761	2.5509
C5	2.5257	3.4790	2.7732	2.7621		1.0896	1.0880	1.5297	2.1493	3.4875	4.3117	3.7009	2.4872	2.9679	1.0894
H6	3.4790	4.3222	3.7750	3.7612	1.0896		1.7651	2.1753	2.4899	3.4430	4.1896	3.5874	2.7469	3.2866	1.7666
H7	2.7732	3.7750	2.5764	3.1163	1.0880	1.7651		2.1546	3.0494	3.9188	4.5953	4.3618	2.7055	2.7093	1.7718
C8	1.5297	2.1753	2.1546	2.1652	1.5297	2.1753	2.1546		1.0931	2.4454	3.3677	2.6159	1.5254	2.4023	2.1652
H9	2.1493	2.4899	3.0494	2.4959	2.1493	2.4899	3.0494	1.0931		2.4891	3.4921	2.2181	2.1556	3.2707	2.4959
N10	3.4875	3.4429	3.9187	4.3804	3.4875	3.4430	3.9188	2.4454	2.4891		1.0034	1.0006	1.3651	2.2697	4.3804
H11	4.3118	4.1897	4.5954	5.2728	4.3117	4.1896	4.5953	3.3677	3.4921	1.0034		1.7275	2.0414	2.5041	5.2727
H12	3.7010	3.5877	4.3619	4.4301	3.7009	3.5874	4.3618	2.6159	2.2181	1.0006	1.7275		2.0830	3.1728	4.4300
C13	2.4872	2.7469	2.7055	3.4432	2.4872	2.7469	2.7055	1.5254	2.1556	1.3651	2.0414	2.0830		1.2190	3.4432
O14	2.9678	3.2865	2.7092	3.9761	2.9679	3.2866	2.7093	2.4023	3.2707	2.2697	2.5041	3.1728	1.2190		3.9761
H15	2.7622	3.7612	3.1163	2.5509	1.0894	1.7666	1.7718	2.1652	2.4959	4.3804	5.2727	4.4300	3.4432	3.9761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.282	C1	C8	H9	108.916
C1	C8	C13	109.000	H2	C1	H3	108.308
H2	C1	H4	108.341	H2	C1	C8	111.183
H3	C1	H4	108.925	H3	C1	C8	109.633
H4	C1	C8	110.390	C5	C8	H9	108.916
C5	C8	C13	109.000	H6	C5	H7	108.308
H6	C5	C8	111.184	H6	C5	H15	108.341
H7	C5	C8	109.633	H7	C5	H15	108.925
C8	C5	H15	110.390	C8	C13	N10	115.452
C8	C13	O14	121.771	H9	C8	C13	109.712
N10	C13	O14	122.777	H11	N10	H12	119.086
H11	N10	C13	118.256	H12	N10	C13	122.658

All results from a given calculation for C₄H₉NO (Propanamide, 2-methyl-)

using model chemistry: MP3/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C4H9NO (Propanamide, 2-methyl-)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₄H₉NO (Propanamide, 2-methyl-)