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	hartrees
Energy at 0K	-287.589235
Energy at 298.15K	-287.599278
Nuclear repulsion energy	246.846176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3615	24.80
2	A	3501	3477	19.21
3	A	3052	3031	27.52
4	A	3048	3027	2.38
5	A	3038	3017	35.29
6	A	3037	3016	16.84
7	A	2970	2950	16.54
8	A	2968	2947	32.53
9	A	2948	2928	32.91
10	A	1716	1704	240.46
11	A	1555	1544	102.95
12	A	1462	1452	15.02
13	A	1448	1438	10.96
14	A	1440	1430	1.48
15	A	1432	1422	1.25
16	A	1367	1358	49.94
17	A	1346	1337	19.98
18	A	1339	1330	5.57
19	A	1285	1276	1.75
20	A	1238	1229	80.88
21	A	1157	1149	3.04
22	A	1092	1085	4.43
23	A	1090	1082	1.28
24	A	1019	1012	5.17
25	A	948	941	0.15
26	A	902	895	1.75
27	A	895	889	3.49
28	A	748	743	1.96
29	A	731	726	4.91
30	A	592	588	4.62
31	A	584	580	9.43
32	A	458	455	2.63
33	A	314	311	0.82
34	A	278	276	4.99
35	A	235	233	2.86
36	A	233	232	2.44
37	A	211	210	0.91
38	A	143	142	155.61
39	A	21	21	6.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.342	1.275	0.101
H2	0.830	2.210	-0.170
H3	1.377	1.211	1.196
H4	2.372	1.326	-0.280
C5	1.373	-1.248	-0.143
H6	0.890	-2.124	-0.598
H7	1.397	-1.399	0.944
C8	0.617	0.047	-0.468
H9	0.541	0.153	-1.563
N10	-1.822	0.090	-0.758
H11	-2.773	0.055	-0.407
H12	-1.666	0.211	-1.750
C13	-0.791	-0.025	0.134
O14	-0.983	-0.172	1.338
H15	2.406	-1.195	-0.514

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0991	1.0983	1.0990	2.5347	3.4994	2.8050	1.5350	2.1610	3.4865	4.3219	3.6886	2.4987	3.0052	2.7586
H2	1.0991		1.7782	1.7803	3.4995	4.3548	3.8193	2.1930	2.5009	3.4461	4.2049	3.5668	2.7778	3.3518	3.7669
H3	1.0983	1.7782		1.7843	2.8002	3.8184	2.6229	2.1685	3.0717	3.9131	4.5965	4.3520	2.7125	2.7390	3.1264
H4	1.0990	1.7803	1.7843		2.7636	3.7676	3.1422	2.1786	2.5242	4.3983	5.3006	4.4392	3.4643	4.0144	2.5311
C5	2.5347	3.4995	2.8002	2.7636		1.0991	1.0982	1.5341	2.1612	3.5181	4.3535	3.7343	2.5012	2.9832	1.0990
H6	3.4994	4.3548	3.8184	3.7676	1.0991		1.7779	2.1920	2.4975	3.5045	4.2658	3.6485	2.7870	3.3260	1.7803
H7	2.8050	3.8193	2.6229	3.1422	1.0982	1.7779		2.1671	3.0711	3.9349	4.6186	4.3860	2.7085	2.7067	1.7850
C8	1.5350	2.1930	2.1685	2.1786	1.5341	2.1920	2.1671		1.1031	2.4573	3.3907	2.6238	1.5339	2.4231	2.1780
H9	2.1610	2.5009	3.0717	2.5242	2.1612	2.4975	3.0711	1.1031		2.4980	3.5114	2.2162	2.1658	3.2936	2.5287
N10	3.4865	3.4461	3.9131	4.3983	3.5181	3.5045	3.9349	2.4573	2.4980		1.0137	1.0110	1.3684	2.2731	4.4259
H11	4.3219	4.2049	4.5965	5.3006	4.3535	4.2658	4.6186	3.3907	3.5114	1.0137		1.7466	2.0556	2.5102	5.3285
H12	3.6886	3.5668	4.3520	4.4392	3.7343	3.6485	4.3860	2.6238	2.2162	1.0110	1.7466		2.0905	3.1855	4.4818
C13	2.4987	2.7778	2.7125	3.4643	2.5012	2.7870	2.7085	1.5339	2.1658	1.3684	2.0556	2.0905		1.2277	3.4659
O14	3.0052	3.3518	2.7390	4.0144	2.9832	3.3260	2.7067	2.4231	3.2936	2.2731	2.5102	3.1855	1.2277		3.9950
H15	2.7586	3.7669	3.1264	2.5311	1.0990	1.7803	1.7850	2.1780	2.5287	4.4259	5.3285	4.4818	3.4659	3.9950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.360	C1	C8	H9	108.898
C1	C8	C13	109.013	H2	C1	H3	108.048
H2	C1	H4	108.177	H2	C1	C8	111.652
H3	C1	H4	108.595	H3	C1	C8	109.764
H4	C1	C8	110.517	C5	C8	H9	108.978
C5	C8	C13	109.223	H6	C5	H7	108.024
H6	C5	C8	111.640	H6	C5	H15	108.179
H7	C5	C8	109.722	H7	C5	H15	108.659
C8	C5	H15	110.530	C8	C13	N10	115.585
C8	C13	O14	122.272	H9	C8	C13	109.342
N10	C13	O14	122.143	H11	N10	H12	119.230
H11	N10	C13	118.537	H12	N10	C13	122.232

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

using model chemistry: PBEPBE/cc-pVTZ

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	-0.267
2	H	0.087
3	H	0.108
4	H	0.088
5	C	-0.268
6	H	0.087
7	H	0.108
8	C	-0.076
9	H	0.063
10	N	-0.188
11	H	0.147
12	H	0.147
13	C	0.193
14	O	-0.316
15	H	0.087

	x	y	z	Total
	-0.339	0.447	-3.498	3.543
CHELPG
AIM
ESP

	x	y	z
x	10.280	-0.058	0.429
y	-0.058	8.179	-0.127
z	0.429	-0.127	8.924

<r²>	173.931
(<r²>)^1/2	13.188

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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