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	hartrees
Energy at 0K	-287.796621
Energy at 298.15K	-287.806997
Nuclear repulsion energy	247.941817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3793	3610	44.75
2	A	3645	3469	40.78
3	A	3167	3015	25.32
4	A	3164	3012	2.85
5	A	3150	2998	37.62
6	A	3148	2996	15.22
7	A	3071	2923	17.24
8	A	3068	2920	35.67
9	A	3057	2909	35.78
10	A	1803	1716	326.17
11	A	1633	1555	132.47
12	A	1524	1450	21.50
13	A	1509	1436	12.15
14	A	1499	1426	2.61
15	A	1493	1421	1.86
16	A	1434	1365	75.84
17	A	1420	1351	4.56
18	A	1403	1335	7.09
19	A	1338	1274	0.76
20	A	1293	1230	97.18
21	A	1204	1146	3.70
22	A	1141	1086	5.40
23	A	1138	1083	0.33
24	A	1067	1015	8.08
25	A	984	937	0.31
26	A	937	892	2.13
27	A	934	889	2.85
28	A	779	742	3.90
29	A	769	732	2.74
30	A	619	589	5.86
31	A	598	569	13.88
32	A	478	455	2.74
33	A	327	311	1.05
34	A	289	275	4.68
35	A	250	238	121.43
36	A	242	231	5.60
37	A	235	224	71.02
38	A	214	204	16.64
39	A	30	29	8.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.352	1.265	-0.011
H2	0.843	2.174	-0.344
H3	1.409	1.289	1.080
H4	2.368	1.276	-0.414
C5	1.355	-1.262	-0.034
H6	0.849	-2.166	-0.384
H7	1.411	-1.306	1.057
C8	0.614	0.004	-0.467
H9	0.538	0.014	-1.562
N10	-1.818	0.008	-0.757
H11	-2.760	0.005	-0.401
H12	-1.671	0.019	-1.750
C13	-0.788	-0.002	0.133
O14	-0.978	-0.016	1.340
H15	2.371	-1.263	-0.436

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0935	1.0924	1.0934	2.5267	3.4873	2.7840	1.5300	2.1517	3.4898	4.3178	3.7027	2.4908	2.9823	2.7587
H2	1.0935		1.7693	1.7709	3.4873	4.3397	3.7936	2.1848	2.4977	3.4552	4.2058	3.5968	2.7610	3.3089	3.7623
H3	1.0924	1.7693		1.7752	2.7837	3.7935	2.5949	2.1620	3.0594	3.9273	4.6066	4.3708	2.7185	2.7332	3.1204
H4	1.0934	1.7709	1.7752		2.7590	3.7624	3.1215	2.1674	2.5014	4.3867	5.2830	4.4356	3.4488	3.9930	2.5392
C5	2.5267	3.4873	2.7837	2.7590		1.0935	1.0924	1.5299	2.1518	3.4928	4.3207	3.7067	2.4911	2.9802	1.0934
H6	3.4873	4.3397	3.7935	3.7624	1.0935		1.7693	2.1847	2.4975	3.4606	4.2111	3.6040	2.7618	3.3062	1.7709
H7	2.7840	3.7936	2.5949	3.1215	1.0924	1.7693		2.1619	3.0594	3.9295	4.6088	4.3739	2.7183	2.7303	1.7752
C8	1.5300	2.1848	2.1620	2.1674	1.5299	2.1847	2.1619		1.0975	2.4484	3.3740	2.6200	1.5246	2.4081	2.1673
H9	2.1517	2.4977	3.0594	2.5014	2.1518	2.4975	3.0594	1.0975		2.4894	3.4962	2.2167	2.1521	3.2741	2.5017
N10	3.4898	3.4552	3.9273	4.3867	3.4928	3.4606	3.9295	2.4484	2.4894		1.0071	1.0043	1.3610	2.2586	4.3893
H11	4.3178	4.2058	4.6066	5.2830	4.3207	4.2111	4.6088	3.3740	3.4962	1.0071		1.7339	2.0429	2.4911	5.2855
H12	3.7027	3.5968	4.3708	4.4356	3.7067	3.6040	4.3739	2.6200	2.2167	1.0043	1.7339		2.0800	3.1669	4.4393
C13	2.4908	2.7610	2.7185	3.4488	2.4911	2.7618	2.7183	1.5246	2.1521	1.3610	2.0429	2.0800		1.2218	3.4489
O14	2.9823	3.3089	2.7332	3.9930	2.9802	3.3062	2.7303	2.4081	3.2741	2.2586	2.4911	3.1669	1.2218		3.9912
H15	2.7587	3.7623	3.1204	2.5392	1.0934	1.7709	1.7752	2.1673	2.5017	4.3893	5.2855	4.4393	3.4489	3.9912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.333	C1	C8	H9	108.846
C1	C8	C13	109.262	H2	C1	H3	108.073
H2	C1	H4	108.141	H2	C1	C8	111.690
H3	C1	H4	108.605	H3	C1	C8	109.939
H4	C1	C8	110.304	C5	C8	H9	108.856
C5	C8	C13	109.281	H6	C5	H7	108.070
H6	C5	C8	111.688	H6	C5	H15	108.141
H7	C5	C8	109.938	H7	C5	H15	108.610
C8	C5	H15	110.305	C8	C13	N10	115.982
C8	C13	O14	122.138	H9	C8	C13	109.233
N10	C13	O14	121.880	H11	N10	H12	119.101
H11	N10	C13	118.477	H12	N10	C13	122.422

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

using model chemistry: mPW1PW91/6-31+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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Number	Element	Mulliken
1	C	-0.637
2	H	0.169
3	H	0.198
4	H	0.164
5	C	-0.637
6	H	0.169
7	H	0.198
8	C	0.182
9	H	0.134
10	N	-0.567
11	H	0.334
12	H	0.309
13	C	0.327
14	O	-0.505
15	H	0.164

	x	y	z	Total
	-0.077	0.044	-3.809	3.810
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>	172.767
(<r²>)^1/2	13.144

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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