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	hartrees
Energy at 0K	-287.727343
Energy at 298.15K	-287.737163
Nuclear repulsion energy	244.967909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3629	3601	18.13
2	A	3487	3460	15.11
3	A	3058	3034	35.59
4	A	3054	3030	2.67
5	A	3037	3014	43.95
6	A	3035	3011	21.65
7	A	2974	2951	16.44
8	A	2970	2947	36.68
9	A	2940	2918	39.11
10	A	1718	1705	215.58
11	A	1571	1559	90.27
12	A	1493	1481	8.21
13	A	1478	1466	8.39
14	A	1472	1461	0.92
15	A	1463	1452	0.23
16	A	1390	1379	15.57
17	A	1366	1356	1.31
18	A	1355	1344	31.76
19	A	1302	1292	4.22
20	A	1241	1232	111.13
21	A	1165	1156	4.18
22	A	1099	1091	5.61
23	A	1083	1074	0.25
24	A	1021	1014	4.76
25	A	946	939	0.05
26	A	912	905	1.90
27	A	880	874	3.67
28	A	742	736	4.21
29	A	722	717	4.81
30	A	593	588	4.56
31	A	585	580	12.39
32	A	460	456	3.08
33	A	318	315	0.86
34	A	283	280	4.61
35	A	236	234	5.13
36	A	235	233	0.78
37	A	213	211	0.40
38	A	33	33	134.65
39	A	21	21	61.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.375	-1.274	-0.065
H2	-0.881	-2.174	-0.464
H3	-1.400	-1.358	1.032
H4	-2.411	-1.257	-0.441
C5	-1.366	1.283	0.020
H6	-0.863	2.204	-0.316
H7	-1.393	1.293	1.120
C8	-0.623	0.017	-0.474
H9	-0.551	0.053	-1.577
N10	1.839	0.030	-0.768
H11	2.790	0.023	-0.409
H12	1.693	0.081	-1.771
C13	0.799	-0.008	0.137
O14	0.992	-0.060	1.357
H15	-2.400	1.300	-0.358

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1019	1.1004	1.1017	2.5584	3.5244	2.8272	1.5489	2.1746	3.5393	4.3764	3.7635	2.5236	3.0165	2.7860
H2	1.1019		1.7814	1.7841	3.5243	4.3805	3.8459	2.2057	2.5117	3.5136	4.2786	3.6632	2.8055	3.3604	3.7932
H3	1.1004	1.7814		1.7895	2.8285	3.8462	2.6524	2.1822	3.0856	3.9568	4.6411	4.4154	2.7306	2.7406	3.1623
H4	1.1017	1.7841	1.7895		2.7846	3.7931	3.1580	2.1949	2.5425	4.4520	5.3561	4.5167	3.4916	4.0301	2.5579
C5	2.5584	3.5243	2.8285	2.7846		1.1019	1.1004	1.5492	2.1744	3.5303	4.3639	3.7432	2.5231	3.0245	1.1016
H6	3.5244	4.3805	3.8462	3.7931	1.1019		1.7814	2.2061	2.5127	3.4971	4.2553	3.6273	2.8033	3.3706	1.7840
H7	2.8272	3.8459	2.6524	3.1580	1.1004	1.7814		2.1827	3.0858	3.9506	4.6313	4.3993	2.7320	2.7519	1.7892
C8	1.5489	2.2057	2.1822	2.1949	1.5492	2.2061	2.1827		1.1060	2.4795	3.4139	2.6554	1.5476	2.4427	2.1951
H9	2.1746	2.5117	3.0856	2.5425	2.1744	2.5127	3.0858	1.1060		2.5235	3.5400	2.2530	2.1826	3.3172	2.5412
N10	3.5393	3.5136	3.9568	4.4520	3.5303	3.4971	3.9506	2.4795	2.5235		1.0170	1.0147	1.3794	2.2895	4.4442
H11	4.3764	4.2786	4.6411	5.3561	4.3639	4.2553	4.6313	3.4139	3.5400	1.0170		1.7501	2.0652	2.5216	5.3453
H12	3.7635	3.6632	4.4154	4.5167	3.7432	3.6273	4.3993	2.6554	2.2530	1.0147	1.7501		2.1091	3.2088	4.4985
C13	2.5236	2.8055	2.7306	3.4916	2.5231	2.8033	2.7320	1.5476	2.1826	1.3794	2.0652	2.1091		1.2365	3.4913
O14	3.0165	3.3604	2.7406	4.0301	3.0245	3.3706	2.7519	2.4427	3.3172	2.2895	2.5216	3.2088	1.2365		4.0369
H15	2.7860	3.7932	3.1623	2.5579	1.1016	1.7840	1.7892	2.1951	2.5412	4.4442	5.3453	4.4985	3.4913	4.0369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.336	C1	C8	H9	108.837
C1	C8	C13	109.168	H2	C1	H3	107.977
H2	C1	H4	108.120	H2	C1	C8	111.514
H3	C1	H4	108.716	H3	C1	C8	109.755
H4	C1	C8	110.671	C5	C8	H9	108.809
C5	C8	C13	109.122	H6	C5	H7	107.980
H6	C5	C8	111.524	H6	C5	H15	108.118
H7	C5	C8	109.773	H7	C5	H15	108.690
C8	C5	H15	110.666	C8	C13	N10	115.681
C8	C13	O14	122.264	H9	C8	C13	109.548
N10	C13	O14	122.055	H11	N10	H12	118.949
H11	N10	C13	118.253	H12	N10	C13	122.789

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

using model chemistry: BLYP/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	-0.275
2	H	0.089
3	H	0.120
4	H	0.086
5	C	-0.275
6	H	0.088
7	H	0.120
8	C	-0.085
9	H	0.051
10	N	-0.555
11	H	0.255
12	H	0.247
13	C	0.539
14	O	-0.490
15	H	0.086

	x	y	z	Total
	0.352	0.171	-3.382	3.405
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	176.031
(<r²>)^1/2	13.268

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

using model chemistry: BLYP/6-31G**

States and conformations

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