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	hartrees
Energy at 0K	-284.152283
Energy at 298.15K	-284.162213
Nuclear repulsion energy	241.037731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3788	3381	0.04
2	A	3580	3195	1.90
3	A	3486	3111	1.38
4	A	3484	3109	0.76
5	A	3482	3107	1.64
6	A	3477	3103	1.51
7	A	3351	2991	4.80
8	A	3313	2957	2.38
9	A	3310	2954	2.41
10	A	1866	1665	59.28
11	A	1763	1573	13.98
12	A	1690	1508	5.36
13	A	1685	1504	3.87
14	A	1679	1498	1.30
15	A	1677	1496	1.69
16	A	1577	1407	1.67
17	A	1561	1393	0.24
18	A	1470	1312	2.20
19	A	1449	1293	6.38
20	A	1314	1172	61.20
21	A	1282	1144	33.90
22	A	1225	1093	1.08
23	A	1185	1057	19.40
24	A	1125	1004	15.55
25	A	1054	941	1.00
26	A	1018	908	2.31
27	A	971	867	2.38
28	A	781	697	14.34
29	A	688	614	40.10
30	A	627	559	102.46
31	A	541	483	80.77
32	A	464	414	13.50
33	A	400	357	35.09
34	A	336	300	7.32
35	A	281	251	4.55
36	A	227	203	0.49
37	A	212	189	0.24
38	A	174	155	0.78
39	A	44	39	2.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.632	-0.994	-0.373
H2	-1.336	-1.744	-1.122
H3	-1.614	-1.471	0.619
H4	-2.660	-0.666	-0.590
C5	-1.130	1.357	0.566
H6	-0.418	2.196	0.552
H7	-1.204	0.980	1.597
C8	-0.656	0.221	-0.397
H9	-0.613	0.630	-1.425
N10	1.817	0.737	-0.332
H11	2.780	0.318	-0.333
H12	1.639	1.218	-1.247
C13	0.799	-0.252	0.007
O14	1.067	-1.293	0.650
H15	-2.120	1.729	0.259

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1006	1.1004	1.1007	2.5806	3.5363	2.8215	1.5578	2.1868	3.8592	4.6027	4.0445	2.5696	2.9013	2.8368
H2	1.1006		1.7831	1.7877	3.5368	4.3787	3.8514	2.2018	2.5007	4.0899	4.6711	4.2009	2.8391	3.0195	3.8182
H3	1.1004	1.7831		1.7899	2.8700	3.8582	2.6713	2.1936	3.0974	4.1898	4.8387	4.6150	2.7718	2.6869	3.2594
H4	1.1007	1.7877	1.7899		2.7874	3.8109	3.1006	2.1992	2.5622	4.6988	5.5337	4.7395	3.5342	3.9773	2.5970
C5	2.5806	3.5368	2.8700	2.7874		1.1007	1.1006	1.5634	2.1816	3.1428	4.1441	3.3130	2.5735	3.4435	1.1013
H6	3.5363	4.3787	3.8582	3.8109	1.1007		1.7860	2.2050	2.5297	2.8119	3.8125	2.9028	2.7879	3.7936	1.7897
H7	2.8215	3.8514	2.6713	3.1006	1.1006	1.7860		2.2038	3.0994	3.5933	4.4763	4.0292	2.8392	3.3504	1.7863
C8	1.5578	2.2018	2.1936	2.1992	1.5634	2.2050	2.2038		1.1070	2.5278	3.4381	2.6434	1.5827	2.5215	2.2016
H9	2.1868	2.5007	3.0974	2.5622	2.1816	2.5297	3.0994	1.1070		2.6669	3.5779	2.3347	2.1961	3.2904	2.5123
N10	3.8592	4.0899	4.1898	4.6988	3.1428	2.8119	3.5933	2.5278	2.6669		1.0497	1.0490	1.4596	2.3770	4.1031
H11	4.6027	4.6711	4.8387	5.5337	4.1441	3.8125	4.4763	3.4381	3.5779	1.0497		1.7164	2.0891	2.5489	5.1331
H12	4.0445	4.2009	4.6150	4.7395	3.3130	2.9028	4.0292	2.6434	2.3347	1.0490	1.7164		2.1073	3.1991	4.0820
C13	2.5696	2.8391	2.7718	3.5342	2.5735	2.7879	2.8392	1.5827	2.1961	1.4596	2.0891	2.1073		1.2526	3.5366
O14	2.9013	3.0195	2.6869	3.9773	3.4435	3.7936	3.3504	2.5215	3.2904	2.3770	2.5489	3.1991	1.2526		4.4092
H15	2.8368	3.8182	3.2594	2.5970	1.1013	1.7897	1.7863	2.2016	2.5123	4.1031	5.1331	4.0820	3.5366	4.4092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.544	C1	C8	H9	109.126
C1	C8	C13	109.809	H2	C1	H3	108.223
H2	C1	H4	108.611	H2	C1	C8	110.659
H3	C1	H4	108.816	H3	C1	C8	110.024
H4	C1	C8	110.448	C5	C8	H9	108.349
C5	C8	C13	109.770	H6	C5	H7	108.453
H6	C5	C8	110.518	H6	C5	H15	108.734
H7	C5	C8	110.426	H7	C5	H15	108.436
C8	C5	H15	110.214	C8	C13	N10	112.315
C8	C13	O14	125.170	H9	C8	C13	108.167
N10	C13	O14	122.236	H11	N10	H12	109.736
H11	N10	C13	111.677	H12	N10	C13	113.273

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

using model chemistry: B3LYP/STO-3G

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	-0.218
2	H	0.074
3	H	0.082
4	H	0.072
5	C	-0.218
6	H	0.079
7	H	0.078
8	C	-0.061
9	H	0.065
10	N	-0.376
11	H	0.185
12	H	0.180
13	C	0.203
14	O	-0.219
15	H	0.073

	x	y	z	Total
	0.058	1.178	-1.983	2.308
CHELPG
AIM
ESP

	x	y	z
x	4.932	0.135	-0.025
y	0.135	4.502	-0.770
z	-0.025	-0.770	3.439

<r²>	179.694
(<r²>)^1/2	13.405

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

using model chemistry: B3LYP/STO-3G

States and conformations

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