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	hartrees
Energy at 0K	-284.459114
Energy at 298.15K	-284.470234
Nuclear repulsion energy	248.968978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3909	3528	47.50
2	A	3780	3412	47.10
3	A	3297	2976	20.53
4	A	3271	2953	26.06
5	A	3267	2949	35.38
6	A	3264	2946	20.53
7	A	3225	2911	11.06
8	A	3211	2898	20.35
9	A	3202	2890	24.74
10	A	1904	1718	272.05
11	A	1811	1635	108.10
12	A	1681	1518	17.12
13	A	1673	1510	10.32
14	A	1659	1498	0.36
15	A	1659	1497	3.25
16	A	1589	1434	18.37
17	A	1568	1416	6.90
18	A	1521	1372	42.57
19	A	1459	1317	16.81
20	A	1395	1259	164.86
21	A	1316	1187	8.52
22	A	1245	1124	14.13
23	A	1222	1103	5.25
24	A	1172	1058	10.25
25	A	1057	954	1.30
26	A	1047	945	5.43
27	A	959	866	4.34
28	A	862	778	64.05
29	A	792	715	15.48
30	A	664	600	40.05
31	A	643	580	154.27
32	A	544	491	133.95
33	A	515	465	12.76
34	A	380	343	0.66
35	A	328	296	8.81
36	A	271	245	4.87
37	A	253	228	0.52
38	A	226	204	0.02
39	A	53	48	6.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.595	-0.956	-0.354
H2	-1.314	-1.731	-1.058
H3	-1.582	-1.388	0.637
H4	-2.600	-0.625	-0.588
C5	-1.060	1.349	0.549
H6	-0.372	2.186	0.526
H7	-1.099	0.966	1.562
C8	-0.617	0.222	-0.415
H9	-0.571	0.617	-1.424
N10	1.777	0.593	-0.393
H11	2.712	0.376	-0.122
H12	1.618	1.399	-0.953
C13	0.774	-0.236	-0.003
O14	0.975	-1.241	0.653
H15	-2.046	1.707	0.277

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0832	1.0811	1.0838	2.5332	3.4848	2.7596	1.5323	2.1601	3.7107	4.5138	4.0283	2.5010	2.7754	2.7737
H2	1.0832		1.7492	1.7599	3.4832	4.3285	3.7662	2.1710	2.4894	3.9237	4.6389	4.2900	2.7766	2.8997	3.7595
H3	1.0811	1.7492		1.7659	2.7879	3.7750	2.5754	2.1514	3.0474	4.0331	4.7033	4.5315	2.6995	2.5615	3.1500
H4	1.0838	1.7599	1.7659		2.7499	3.7558	3.0673	2.1632	2.5216	4.5473	5.4252	4.6927	3.4466	3.8346	2.5479
C5	2.5332	3.4832	2.7879	2.7499		1.0837	1.0838	1.5476	2.1606	3.0834	3.9529	3.0709	2.4860	3.2961	1.0835
H6	3.4848	4.3285	3.7750	3.7558	1.0837		1.7584	2.1911	2.5104	2.8284	3.6343	2.6010	2.7309	3.6851	1.7588
H7	2.7596	3.7662	2.5754	3.0673	1.0838	1.7584		2.1666	3.0525	3.4978	4.2083	3.7279	2.7208	3.1628	1.7598
C8	1.5323	2.1710	2.1514	2.1632	1.5476	2.1911	2.1666		1.0845	2.4227	3.3453	2.5828	1.5216	2.4122	2.1734
H9	2.1601	2.4894	3.0474	2.5216	2.1606	2.5104	3.0525	1.0845		2.5640	3.5394	2.3714	2.1342	3.1870	2.5013
N10	3.7107	3.9237	4.0331	4.5473	3.0834	2.8284	3.4978	2.4227	2.5640		0.9974	0.9944	1.3581	2.2588	4.0377
H11	4.5138	4.6389	4.7033	5.4252	3.9529	3.6343	4.2083	3.3453	3.5394	0.9974		1.7133	2.0352	2.4961	4.9566
H12	4.0283	4.2900	4.5315	4.6927	3.0709	2.6010	3.7279	2.5828	2.3714	0.9944	1.7133		2.0708	3.1569	3.8770
C13	2.5010	2.7766	2.6995	3.4466	2.4860	2.7309	2.7208	1.5216	2.1342	1.3581	2.0352	2.0708		1.2174	3.4357
O14	2.7754	2.8997	2.5615	3.8346	3.2961	3.6851	3.1628	2.4122	3.1870	2.2588	2.4961	3.1569	1.2174		4.2380
H15	2.7737	3.7595	3.1500	2.5479	1.0835	1.7588	1.7598	2.1734	2.5013	4.0377	4.9566	3.8770	3.4357	4.2380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.672	C1	C8	H9	110.100
C1	C8	C13	109.960	H2	C1	H3	107.842
H2	C1	H4	108.607	H2	C1	C8	111.043
H3	C1	H4	109.304	H3	C1	C8	109.606
H4	C1	C8	110.380	C5	C8	H9	109.077
C5	C8	C13	108.185	H6	C5	H7	108.440
H6	C5	C8	111.539	H6	C5	H15	108.496
H7	C5	C8	109.587	H7	C5	H15	108.579
C8	C5	H15	110.131	C8	C13	N10	114.435
C8	C13	O14	123.063	H9	C8	C13	108.800
N10	C13	O14	122.475	H11	N10	H12	118.664
H11	N10	C13	118.742	H12	N10	C13	122.584

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

using model chemistry: HF/3-21G*

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	CHELPG
1	C	-0.537	-0.372
2	H	0.213	0.083
3	H	0.234	0.107
4	H	0.193	0.107
5	C	-0.551	-0.217
6	H	0.199	0.045
7	H	0.223	0.073
8	C	-0.452	0.080
9	H	0.225	0.005
10	N	-0.938	-1.138
11	H	0.359	0.463
12	H	0.351	0.434
13	C	0.907	0.907
14	O	-0.639	-0.645
15	H	0.212	0.067

	x	y	z	Total
	-0.056	3.377	-1.935	3.892
CHELPG	-0.051	3.373	-1.923	3.883
AIM
ESP

	x	y	z
x	6.928	0.200	0.043
y	0.200	6.865	-0.664
z	0.043	-0.664	5.499

<r²>	171.686
(<r²>)^1/2	13.103

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

using model chemistry: HF/3-21G*

States and conformations

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