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	hartrees
Energy at 0K	-287.475889
Energy at 298.15K	-287.485817
Nuclear repulsion energy	246.092095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3635	3575	21.21
2	A	3503	3445	18.62
3	A	3078	3027	27.82
4	A	3074	3024	2.70
5	A	3062	3011	34.71
6	A	3060	3009	19.06
7	A	2988	2939	15.41
8	A	2986	2937	32.96
9	A	2958	2909	37.56
10	A	1752	1723	219.59
11	A	1588	1561	102.71
12	A	1497	1472	13.56
13	A	1482	1458	11.28
14	A	1474	1450	1.41
15	A	1466	1441	0.70
16	A	1391	1368	37.04
17	A	1371	1348	29.10
18	A	1366	1344	4.80
19	A	1303	1282	2.50
20	A	1254	1234	86.24
21	A	1172	1152	2.75
22	A	1105	1087	5.59
23	A	1103	1085	0.16
24	A	1031	1014	5.54
25	A	959	943	0.21
26	A	912	897	2.66
27	A	904	889	4.33
28	A	750	737	4.56
29	A	738	726	5.00
30	A	595	586	7.81
31	A	590	580	10.47
32	A	461	453	2.88
33	A	317	312	0.78
34	A	286	281	4.07
35	A	240	236	6.39
36	A	237	233	0.31
37	A	214	210	0.87
38	A	68	67	213.64
39	A	30	30	3.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.358	1.271	-0.017
H2	0.860	2.186	-0.381
H3	1.376	1.308	1.085
H4	2.397	1.273	-0.388
C5	1.362	-1.268	-0.030
H6	0.868	-2.181	-0.405
H7	1.379	-1.318	1.071
C8	0.619	0.003	-0.477
H9	0.547	0.009	-1.583
N10	-1.830	0.015	-0.763
H11	-2.782	-0.019	-0.404
H12	-1.686	-0.028	-1.768
C13	-0.792	-0.002	0.136
O14	-0.979	-0.011	1.355
H15	2.401	-1.263	-0.400

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1036	1.1026	1.1036	2.5393	3.5086	2.8081	1.5386	2.1687	3.5065	4.3531	3.7439	2.5035	2.9979	2.7670
H2	1.1036		1.7849	1.7881	3.5082	4.3675	3.8280	2.1988	2.5063	3.4772	4.2570	3.6475	2.7901	3.3501	3.7777
H3	1.1026	1.7849		1.7928	2.8077	3.8283	2.6260	2.1724	3.0812	3.9197	4.6111	4.3929	2.7053	2.7128	3.1414
H4	1.1036	1.7881	1.7928		2.7674	3.7781	3.1430	2.1875	2.5396	4.4260	5.3376	4.5019	3.4747	4.0108	2.5359
C5	2.5393	3.5082	2.8077	2.7674		1.1037	1.1026	1.5386	2.1696	3.5172	4.3436	3.7208	2.5039	2.9963	1.1035
H6	3.5086	4.3675	3.8283	3.7781	1.1037		1.7848	2.1994	2.5080	3.4971	4.2416	3.6076	2.7920	3.3489	1.7879
H7	2.8081	3.8280	2.6260	3.1430	1.1026	1.7848		2.1723	3.0818	3.9289	4.6010	4.3720	2.7051	2.7102	1.7928
C8	1.5386	2.1988	2.1724	2.1875	1.5386	2.1994	2.1723		1.1080	2.4651	3.4011	2.6413	1.5385	2.4312	2.1875
H9	2.1687	2.5063	3.0812	2.5396	2.1696	2.5080	3.0818	1.1080		2.5140	3.5312	2.2404	2.1790	3.3108	2.5408
N10	3.5065	3.4772	3.9197	4.4260	3.5172	3.4971	3.9289	2.4651	2.5140		1.0180	1.0158	1.3731	2.2832	4.4348
H11	4.3531	4.2570	4.6111	5.3376	4.3436	4.2416	4.6010	3.4011	3.5312	1.0180		1.7499	2.0613	2.5187	5.3300
H12	3.7439	3.6475	4.3929	4.5019	3.7208	3.6076	4.3720	2.6413	2.2404	1.0158	1.7499		2.1032	3.2022	4.4831
C13	2.5035	2.7901	2.7053	3.4747	2.5039	2.7920	2.7051	1.5385	2.1790	1.3731	2.0613	2.1032		1.2335	3.4749
O14	2.9979	3.3501	2.7128	4.0108	2.9963	3.3489	2.7102	2.4312	3.3108	2.2832	2.5187	3.2022	1.2335		4.0092
H15	2.7670	3.7777	3.1414	2.5359	1.1035	1.7879	1.7928	2.1875	2.5408	4.4348	5.3300	4.4831	3.4749	4.0092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.220	C1	C8	H9	108.966
C1	C8	C13	108.899	H2	C1	H3	107.999
H2	C1	H4	108.217	H2	C1	C8	111.581
H3	C1	H4	108.706	H3	C1	C8	109.561
H4	C1	C8	110.690	C5	C8	H9	109.038
C5	C8	C13	108.929	H6	C5	H7	107.980
H6	C5	C8	111.626	H6	C5	H15	108.190
H7	C5	C8	109.557	H7	C5	H15	108.707
C8	C5	H15	110.693	C8	C13	N10	115.585
C8	C13	O14	122.198	H9	C8	C13	109.775
N10	C13	O14	122.215	H11	N10	H12	118.716
H11	N10	C13	118.341	H12	N10	C13	122.679

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

using model chemistry: PBEPBEultrafine/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	-0.480
2	H	0.159
3	H	0.185
4	H	0.155
5	C	-0.480
6	H	0.157
7	H	0.185
8	C	-0.186
9	H	0.126
10	N	-0.729
11	H	0.337
12	H	0.331
13	C	0.566
14	O	-0.483
15	H	0.155

	x	y	z	Total
	-0.412	-0.098	-3.415	3.441
CHELPG
AIM
ESP

	x	y	z
x	8.914	0.002	0.373
y	0.002	6.620	-0.006
z	0.373	-0.006	7.915

<r²>	174.137
(<r²>)^1/2	13.196

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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