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	hartrees
Energy at 0K	-287.641492
Energy at 298.15K	-287.652002
Nuclear repulsion energy	243.654647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3597	12.01
2	A	3483	3457	12.25
3	A	3063	3040	41.11
4	A	3057	3034	3.04
5	A	3042	3019	49.39
6	A	3039	3016	24.92
7	A	2974	2951	17.70
8	A	2970	2947	41.51
9	A	2942	2919	41.10
10	A	1652	1639	216.48
11	A	1611	1599	48.03
12	A	1520	1508	11.42
13	A	1507	1496	13.18
14	A	1503	1492	1.76
15	A	1493	1482	0.87
16	A	1421	1411	19.54
17	A	1401	1390	3.30
18	A	1366	1356	31.20
19	A	1320	1310	3.44
20	A	1272	1262	122.44
21	A	1185	1176	4.33
22	A	1114	1106	10.94
23	A	1093	1085	0.33
24	A	1050	1042	4.14
25	A	962	955	0.14
26	A	937	930	3.41
27	A	887	880	3.97
28	A	747	742	34.19
29	A	730	725	4.29
30	A	606	601	87.88
31	A	597	593	3.79
32	A	483	480	181.38
33	A	468	464	3.02
34	A	324	322	0.72
35	A	285	283	5.68
36	A	235	233	5.76
37	A	235	233	0.88
38	A	217	215	0.42
39	A	26	26	8.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.366	1.290	0.085
H2	0.856	2.225	-0.203
H3	1.397	1.242	1.186
H4	2.400	1.327	-0.298
C5	1.389	-1.268	-0.128
H6	0.903	-2.151	-0.576
H7	1.411	-1.407	0.965
C8	0.623	0.041	-0.474
H9	0.551	0.133	-1.575
N10	-1.845	0.079	-0.774
H11	-2.799	0.047	-0.420
H12	-1.697	0.182	-1.773
C13	-0.800	-0.020	0.128
O14	-1.000	-0.150	1.368
H15	2.426	-1.218	-0.501

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1036	1.1022	1.1033	2.5666	3.5343	2.8370	1.5568	2.1815	3.5371	4.3750	3.7497	2.5312	3.0523	2.7851
H2	1.1036		1.7859	1.7886	3.5344	4.3924	3.8556	2.2132	2.5206	3.4966	4.2600	3.6275	2.8096	3.3992	3.7959
H3	1.1022	1.7859		1.7930	2.8324	3.8547	2.6576	2.1896	3.0932	3.9623	4.6483	4.4102	2.7454	2.7778	3.1549
H4	1.1033	1.7886	1.7930		2.7894	3.7963	3.1693	2.2002	2.5443	4.4494	5.3547	4.5018	3.4973	4.0640	2.5526
C5	2.5666	3.5344	2.8324	2.7894		1.1036	1.1021	1.5559	2.1817	3.5625	4.3993	3.7858	2.5325	3.0331	1.1033
H6	3.5343	4.3924	3.8547	3.7963	1.1036		1.7856	2.2123	2.5176	3.5442	4.3077	3.6921	2.8167	3.3776	1.7884
H7	2.8370	3.8556	2.6576	3.1693	1.1021	1.7856		2.1884	3.0927	3.9793	4.6644	4.4366	2.7410	2.7496	1.7933
C8	1.5568	2.2132	2.1896	2.2002	1.5559	2.2123	2.1884		1.1076	2.4859	3.4217	2.6624	1.5454	2.4622	2.1998
H9	2.1815	2.5206	3.0932	2.5443	2.1817	2.5176	3.0927	1.1076		2.5266	3.5440	2.2567	2.1787	3.3388	2.5488
N10	3.5371	3.4966	3.9623	4.4494	3.5625	3.5442	3.9793	2.4859	2.5266		1.0178	1.0157	1.3837	2.3133	4.4721
H11	4.3750	4.2600	4.6483	5.3547	4.3993	4.3077	4.6644	3.4217	3.5440	1.0178		1.7504	2.0736	2.5432	5.3766
H12	3.7497	3.6275	4.4102	4.5018	3.7858	3.6921	4.4366	2.6624	2.2567	1.0157	1.7504		2.1117	3.2344	4.5362
C13	2.5312	2.8096	2.7454	3.4973	2.5325	2.8167	2.7410	1.5454	2.1787	1.3837	2.0736	2.1117		1.2630	3.4981
O14	3.0523	3.3992	2.7778	4.0640	3.0331	3.3776	2.7496	2.4622	3.3388	2.3133	2.5432	3.2344	1.2630		4.0470
H15	2.7851	3.7959	3.1549	2.5526	1.1033	1.7884	1.7933	2.1998	2.5488	4.4721	5.3766	4.5362	3.4981	4.0470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.088	C1	C8	H9	108.750
C1	C8	C13	109.359	H2	C1	H3	108.121
H2	C1	H4	108.282	H2	C1	C8	111.453
H3	C1	H4	108.779	H3	C1	C8	109.685
H4	C1	C8	110.445	C5	C8	H9	108.829
C5	C8	C13	109.491	H6	C5	H7	108.104
H6	C5	C8	111.450	H6	C5	H15	108.267
H7	C5	C8	109.658	H7	C5	H15	108.809
C8	C5	H15	110.479	C8	C13	N10	116.031
C8	C13	O14	122.174	H9	C8	C13	109.298
N10	C13	O14	121.795	H11	N10	H12	118.811
H11	N10	C13	118.627	H12	N10	C13	122.562

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

using model chemistry: BLYP/6-31G

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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Number	Element	Mulliken
1	C	-0.360
2	H	0.118
3	H	0.151
4	H	0.117
5	C	-0.360
6	H	0.118
7	H	0.151
8	C	-0.116
9	H	0.086
10	N	-0.658
11	H	0.306
12	H	0.299
13	C	0.476
14	O	-0.444
15	H	0.116

	x	y	z	Total
	-0.271	0.398	-3.672	3.703
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	177.701
(<r²>)^1/2	13.330

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

using model chemistry: BLYP/6-31G

States and conformations

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