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	hartrees
Energy at 0K	-287.736737
Energy at 298.15K	-287.746709
Nuclear repulsion energy	245.400314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3602	18.17
2	A	3485	3465	16.15
3	A	3048	3031	33.23
4	A	3043	3026	2.31
5	A	3027	3011	40.09
6	A	3025	3008	20.02
7	A	2966	2949	15.33
8	A	2962	2946	35.63
9	A	2935	2919	36.90
10	A	1717	1707	205.01
11	A	1567	1558	79.60
12	A	1478	1470	8.16
13	A	1463	1455	7.55
14	A	1457	1449	0.71
15	A	1448	1440	0.23
16	A	1378	1371	19.27
17	A	1352	1345	1.22
18	A	1344	1336	29.31
19	A	1296	1289	4.19
20	A	1237	1230	109.42
21	A	1160	1154	3.43
22	A	1097	1091	5.95
23	A	1079	1073	0.39
24	A	1020	1015	4.69
25	A	945	940	0.03
26	A	907	902	1.48
27	A	879	874	3.28
28	A	745	741	3.17
29	A	722	718	4.61
30	A	592	589	6.70
31	A	577	573	8.90
32	A	459	456	2.87
33	A	315	313	0.74
34	A	280	279	4.60
35	A	234	232	3.59
36	A	232	231	2.04
37	A	210	209	0.23
38	A	124	124	163.91
39	A	20	19	4.56

Atom	x (Å)	y (Å)	z (Å)
C1	1.350	1.287	0.108
H2	0.840	2.224	-0.169
H3	1.373	1.225	1.207
H4	2.385	1.337	-0.264
C5	1.385	-1.257	-0.150
H6	0.907	-2.131	-0.620
H7	1.398	-1.421	0.937
C8	0.621	0.050	-0.472
H9	0.547	0.163	-1.569
N10	-1.835	0.116	-0.758
H11	-2.785	0.016	-0.412
H12	-1.687	0.152	-1.759
C13	-0.798	-0.028	0.137
O14	-0.988	-0.187	1.341
H15	2.423	-1.199	-0.512

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1015	1.1002	1.1012	2.5576	3.5232	2.8330	1.5490	2.1730	3.5030	4.3573	3.7419	2.5190	3.0272	2.7782
H2	1.1015		1.7813	1.7836	3.5227	4.3783	3.8496	2.2051	2.5080	3.4565	4.2512	3.6340	2.8015	3.3820	3.7862
H3	1.1002	1.7813		1.7887	2.8288	3.8496	2.6603	2.1828	3.0843	3.9224	4.6230	4.3947	2.7254	2.7552	3.1518
H4	1.1012	1.7836	1.7887		2.7827	3.7871	3.1666	2.1940	2.5419	4.4216	5.3384	4.4973	3.4868	4.0353	2.5486
C5	2.5576	3.5227	2.8288	2.7827		1.1016	1.1000	1.5480	2.1749	3.5533	4.3679	3.7434	2.5210	3.0002	1.1012
H6	3.5232	4.3783	3.8496	3.7871	1.1016		1.7807	2.2050	2.5083	3.5483	4.2762	3.6389	2.8108	3.3493	1.7832
H7	2.8330	3.8496	2.6603	3.1666	1.1000	1.7807		2.1808	3.0845	3.9615	4.6245	4.3894	2.7204	2.7168	1.7895
C8	1.5490	2.2051	2.1828	2.1940	1.5480	2.2050	2.1808		1.1048	2.4736	3.4064	2.6446	1.5458	2.4359	2.1935
H9	2.1730	2.5080	3.0843	2.5419	2.1749	2.5083	3.0845	1.1048		2.5168	3.5297	2.2422	2.1805	3.3085	2.5479
N10	3.5030	3.4565	3.9224	4.4216	3.5533	3.5483	3.9615	2.4736	2.5168		1.0154	1.0127	1.3783	2.2839	4.4640
H11	4.3573	4.2512	4.6230	5.3384	4.3679	4.2762	4.6245	3.4064	3.5297	1.0154		1.7428	2.0624	2.5186	5.3491
H12	3.7419	3.6340	4.3947	4.4973	3.7434	3.6389	4.3894	2.6446	2.2422	1.0127	1.7428		2.1026	3.1962	4.5031
C13	2.5190	2.8015	2.7254	3.4868	2.5210	2.8108	2.7204	1.5458	2.1805	1.3783	2.0624	2.1026		1.2291	3.4881
O14	3.0272	3.3820	2.7552	4.0353	3.0002	3.3493	2.7168	2.4359	3.3085	2.2839	2.5186	3.1962	1.2291		4.0123
H15	2.7782	3.7862	3.1518	2.5486	1.1012	1.7832	1.7895	2.1935	2.5479	4.4640	5.3491	4.5031	3.4881	4.0123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.342	C1	C8	H9	108.783
C1	C8	C13	108.969	H2	C1	H3	108.012
H2	C1	H4	108.138	H2	C1	C8	111.486
H3	C1	H4	108.688	H3	C1	C8	109.806
H4	C1	C8	110.622	C5	C8	H9	108.996
C5	C8	C13	109.150	H6	C5	H7	107.961
H6	C5	C8	111.540	H6	C5	H15	108.098
H7	C5	C8	109.730	H7	C5	H15	108.772
C8	C5	H15	110.653	C8	C13	N10	115.430
C8	C13	O14	122.357	H9	C8	C13	109.582
N10	C13	O14	122.203	H11	N10	H12	118.485
H11	N10	C13	118.203	H12	N10	C13	122.398

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.340
2	H	0.098
3	H	0.126
4	H	0.094
5	C	-0.340
6	H	0.096
7	H	0.127
8	C	-0.027
9	H	0.038
10	N	-0.473
11	H	0.237
12	H	0.236
13	C	0.372
14	O	-0.338
15	H	0.093

	x	y	z	Total
	-0.357	0.251	-3.297	3.325
CHELPG
AIM
ESP

	x	y	z
x	9.402	-0.043	0.368
y	-0.043	7.180	-0.148
z	0.368	-0.148	8.114

<r²>	175.521
(<r²>)^1/2	13.248

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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