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	hartrees
Energy at 0K	-53.478641
Energy at 298.15K	-53.489167
HF Energy	-52.601861
Nuclear repulsion energy	137.868423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3729	3553	29.18
2	A	3584	3415	36.35
3	A	3178	3028	30.23
4	A	3173	3024	5.75
5	A	3158	3009	35.07
6	A	3154	3005	26.44
7	A	3078	2932	30.51
8	A	3064	2919	22.20
9	A	3061	2917	31.24
10	A	1753	1670	258.92
11	A	1658	1580	81.87
12	A	1548	1475	16.91
13	A	1540	1467	12.25
14	A	1525	1453	3.50
15	A	1522	1450	0.14
16	A	1449	1381	23.91
17	A	1439	1371	50.77
18	A	1430	1363	6.03
19	A	1354	1290	1.11
20	A	1288	1227	102.74
21	A	1220	1162	4.28
22	A	1148	1094	1.88
23	A	1143	1089	7.86
24	A	1073	1022	9.35
25	A	992	945	0.35
26	A	944	900	1.70
27	A	939	895	1.20
28	A	776	739	4.37
29	A	758	723	4.13
30	A	615	586	19.95
31	A	577	550	37.31
32	A	478	456	3.57
33	A	363	345	224.74
34	A	324	309	16.01
35	A	291	277	3.44
36	A	253	241	5.11
37	A	241	230	3.44
38	A	203	194	1.86
39	A	40	38	7.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.332	1.278	0.096
H2	0.795	2.207	-0.128
H3	1.417	1.183	1.183
H4	2.337	1.349	-0.334
C5	1.354	-1.251	-0.163
H6	0.829	-2.121	-0.572
H7	1.440	-1.377	0.920
C8	0.594	0.052	-0.475
H9	0.497	0.159	-1.564
N10	-1.862	0.025	-0.729
H11	-2.780	0.138	-0.311
H12	-1.726	0.412	-1.654
C13	-0.797	-0.026	0.156
O14	-0.966	-0.178	1.374
H15	2.359	-1.216	-0.598

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0963	1.0943	1.0959	2.5416	3.5001	2.7819	1.5401	2.1690	3.5282	4.2860	3.6278	2.4967	3.0052	2.7851
H2	1.0963		1.7756	1.7765	3.5029	4.3513	3.7898	2.1924	2.5198	3.4908	4.1351	3.4509	2.7576	3.3238	3.7930
H3	1.0943	1.7756		1.7816	2.7821	3.7875	2.5741	2.1692	3.0729	3.9686	4.5762	4.3037	2.7237	2.7512	3.1332
H4	1.0959	1.7765	1.7816		2.7845	3.7911	3.1319	2.1769	2.5130	4.4205	5.2585	4.3737	3.4572	4.0198	2.5788
C5	2.5416	3.5029	2.7821	2.7845		1.0957	1.0942	1.5397	2.1640	3.5053	4.3635	3.8045	2.4952	2.9823	1.0960
H6	3.5001	4.3513	3.7875	3.7911	1.0957		1.7760	2.1878	2.5083	3.4452	4.2658	3.7574	2.7498	3.2839	1.7780
H7	2.7819	3.7898	2.5741	3.1319	1.0942	1.7760		2.1690	3.0693	3.9483	4.6501	4.4559	2.7225	2.7263	1.7821
C8	1.5401	2.1924	2.1692	2.1769	1.5397	2.1878	2.1690		1.0988	2.4695	3.3796	2.6277	1.5297	2.4304	2.1766
H9	2.1690	2.5198	3.0729	2.5130	2.1640	2.5083	3.0693	1.0988		2.5063	3.5088	2.2397	2.1608	3.2998	2.5080
N10	3.5282	3.4908	3.9686	4.4205	3.5053	3.4452	3.9483	2.4695	2.5063		1.0151	1.0121	1.3860	2.2950	4.4016
H11	4.2860	4.1351	4.5762	5.2585	4.3635	4.2658	4.6501	3.3796	3.5088	1.0151		1.7287	2.0444	2.4965	5.3225
H12	3.6278	3.4509	4.3037	4.3737	3.8045	3.7574	4.4559	2.6277	2.2397	1.0121	1.7287		2.0817	3.1774	4.5230
C13	2.4967	2.7576	2.7237	3.4572	2.4952	2.7498	2.7225	1.5297	2.1608	1.3860	2.0444	2.0817		1.2389	3.4561
O14	3.0052	3.3238	2.7512	4.0198	2.9823	3.2839	2.7263	2.4304	3.2998	2.2950	2.4965	3.1774	1.2389		4.0029
H15	2.7851	3.7930	3.1332	2.5788	1.0960	1.7780	1.7821	2.1766	2.5080	4.4016	5.3225	4.5230	3.4561	4.0029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.230	C1	C8	H9	109.426
C1	C8	C13	108.844	H2	C1	H3	108.301
H2	C1	H4	108.272	H2	C1	C8	111.414
H3	C1	H4	108.876	H3	C1	C8	109.702
H4	C1	C8	110.212	C5	C8	H9	109.058
C5	C8	C13	108.766	H6	C5	H7	108.386
H6	C5	C8	111.115	H6	C5	H15	108.439
H7	C5	C8	109.715	H7	C5	H15	108.919
C8	C5	H15	110.213	C8	C13	N10	115.684
C8	C13	O14	122.419	H9	C8	C13	109.496
N10	C13	O14	121.839	H11	N10	H12	117.031
H11	N10	C13	115.882	H12	N10	C13	119.659

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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