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	hartrees
Energy at 0K	-53.916579
Energy at 298.15K	-53.926752
Nuclear repulsion energy	136.992653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3712	3585	25.50
2	A	3576	3454	28.47
3	A	3136	3029	57.16
4	A	3131	3024	3.65
5	A	3111	3005	60.00
6	A	3107	3000	29.92
7	A	3046	2942	25.42
8	A	3042	2937	45.35
9	A	3036	2931	42.45
10	A	1768	1707	293.76
11	A	1618	1562	102.03
12	A	1516	1464	15.81
13	A	1502	1451	10.62
14	A	1494	1442	2.15
15	A	1487	1436	1.52
16	A	1415	1367	25.41
17	A	1403	1355	41.23
18	A	1398	1350	4.56
19	A	1323	1278	1.14
20	A	1260	1217	121.18
21	A	1187	1146	7.65
22	A	1122	1083	9.75
23	A	1116	1078	0.44
24	A	1045	1009	8.66
25	A	967	934	0.38
26	A	926	894	3.54
27	A	912	881	2.59
28	A	756	730	4.09
29	A	748	723	2.47
30	A	603	583	8.49
31	A	572	552	17.77
32	A	464	448	2.50
33	A	317	307	1.17
34	A	284	274	5.68
35	A	240	232	10.73
36	A	238	230	12.87
37	A	221	213	47.17
38	A	200	193	168.22
39	A	27	26	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	1.345	1.286	0.036
H2	0.815	2.214	-0.243
H3	1.424	1.254	1.135
H4	2.362	1.328	-0.389
C5	1.370	-1.265	-0.103
H6	0.864	-2.169	-0.487
H7	1.443	-1.354	0.993
C8	0.598	0.027	-0.478
H9	0.500	0.089	-1.577
N10	-1.873	0.093	-0.722
H11	-2.809	-0.040	-0.342
H12	-1.744	-0.004	-1.725
C13	-0.807	-0.018	0.162
O14	-0.984	-0.111	1.382
H15	2.391	-1.236	-0.523

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1040	1.1019	1.1040	2.5550	3.5269	2.8098	1.5515	2.1795	3.5147	4.3763	3.7820	2.5191	3.0308	2.7877
H2	1.1040		1.7861	1.7893	3.5253	4.3891	3.8275	2.2099	2.5285	3.4572	4.2683	3.6958	2.7880	3.3584	3.8033
H3	1.1019	1.7861		1.7914	2.8068	3.8281	2.6116	2.1878	3.0927	3.9577	4.6655	4.4487	2.7457	2.7786	3.1442
H4	1.1040	1.7893	1.7914		2.7908	3.8050	3.1538	2.1938	2.5330	4.4246	5.3493	4.5187	3.4872	4.0505	2.5680
C5	2.5550	3.5253	2.8068	2.7908		1.1044	1.1018	1.5507	2.1826	3.5700	4.3611	3.7303	2.5230	3.0133	1.1040
H6	3.5269	4.3891	3.8281	3.8050	1.1044		1.7856	2.2114	2.5333	3.5584	4.2475	3.6081	2.8000	3.3384	1.7886
H7	2.8098	3.8275	2.6116	3.1538	1.1018	1.7856		2.1870	3.0946	4.0039	4.6461	4.4004	2.7458	2.7550	1.7917
C8	1.5515	2.2099	2.1878	2.1938	1.5507	2.2114	2.1870		1.1056	2.4844	3.4104	2.6535	1.5447	2.4458	2.1931
H9	2.1795	2.5285	3.0927	2.5330	2.1826	2.5333	3.0946	1.1056		2.5224	3.5338	2.2501	2.1779	3.3163	2.5381
N10	3.5147	3.4572	3.9577	4.4246	3.5700	3.5584	4.0039	2.4844	2.5224		1.0184	1.0160	1.3892	2.2928	4.4704
H11	4.3763	4.2683	4.6655	5.3493	4.3611	4.2475	4.6461	3.4104	3.5338	1.0184		1.7459	2.0642	2.5110	5.3381
H12	3.7820	3.6958	4.4487	4.5187	3.7303	3.6081	4.4004	2.6535	2.2501	1.0160	1.7459		2.1064	3.2000	4.4780
C13	2.5191	2.7880	2.7457	3.4872	2.5230	2.8000	2.7458	1.5447	2.1779	1.3892	2.0642	2.1064		1.2363	3.4898
O14	3.0308	3.3584	2.7786	4.0505	3.0133	3.3384	2.7550	2.4458	3.3163	2.2928	2.5110	3.2000	1.2363		4.0357
H15	2.7877	3.8033	3.1442	2.5680	1.1040	1.7886	1.7917	2.1931	2.5381	4.4704	5.3381	4.4780	3.4898	4.0357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.898	C1	C8	H9	109.068
C1	C8	C13	108.899	H2	C1	H3	108.138
H2	C1	H4	108.269	H2	C1	C8	111.545
H3	C1	H4	108.608	H3	C1	C8	109.928
H4	C1	C8	110.271	C5	C8	H9	109.363
C5	C8	C13	109.187	H6	C5	H7	108.065
H6	C5	C8	111.688	H6	C5	H15	108.168
H7	C5	C8	109.920	H7	C5	H15	108.640
C8	C5	H15	110.273	C8	C13	N10	115.629
C8	C13	O14	122.766	H9	C8	C13	109.405
N10	C13	O14	121.579	H11	N10	H12	118.227
H11	N10	C13	117.217	H12	N10	C13	121.504

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

using model chemistry: B3LYP/CEP-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	-0.546
2	H	0.166
3	H	0.179
4	H	0.165
5	C	-0.547
6	H	0.161
7	H	0.181
8	C	0.038
9	H	0.118
10	N	-0.382
11	H	0.325
12	H	0.312
13	C	-0.197
14	O	-0.140
15	H	0.167

	x	y	z	Total
	-0.112	-0.141	-3.760	3.765
CHELPG
AIM
ESP

	x	y	z
x	8.658	-0.029	0.325
y	-0.029	6.923	-0.093
z	0.325	-0.093	7.794

<r²>	145.997
(<r²>)^1/2	12.083

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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