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	hartrees
Energy at 0K	-286.125466
Energy at 298.15K	-286.136004
Nuclear repulsion energy	249.300428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3973	3610	51.86
2	A	3830	3480	55.42
3	A	3257	2959	53.30
4	A	3250	2952	3.06
5	A	3225	2930	70.41
6	A	3220	2926	24.56
7	A	3172	2882	23.56
8	A	3163	2874	49.67
9	A	3159	2870	31.74
10	A	1943	1765	389.27
11	A	1772	1610	136.86
12	A	1634	1484	18.88
13	A	1619	1470	9.70
14	A	1610	1463	1.87
15	A	1603	1456	0.69
16	A	1550	1408	64.03
17	A	1540	1399	9.32
18	A	1523	1383	2.42
19	A	1454	1321	0.57
20	A	1387	1260	147.94
21	A	1295	1177	7.51
22	A	1234	1121	9.39
23	A	1211	1101	0.01
24	A	1157	1051	9.84
25	A	1044	949	0.26
26	A	1007	915	1.53
27	A	978	889	0.95
28	A	855	776	12.74
29	A	816	741	1.48
30	A	668	607	11.82
31	A	625	567	14.47
32	A	512	465	4.36
33	A	345	314	0.99
34	A	311	282	6.61
35	A	263	239	4.29
36	A	261	237	0.00
37	A	232	210	0.17
38	A	136	123	228.23
39	A	10	9	10.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.351	-1.267	-0.023
H2	-0.833	-2.163	-0.355
H3	-1.426	-1.303	1.058
H4	-2.352	-1.283	-0.443
C5	-1.351	1.267	-0.022
H6	-0.833	2.163	-0.354
H7	-1.426	1.303	1.058
C8	-0.610	0.000	-0.461
H9	-0.534	0.000	-1.546
N10	1.815	0.000	-0.746
H11	2.743	0.000	-0.393
H12	1.671	0.000	-1.725
C13	0.790	0.000	0.139
O14	0.970	-0.000	1.320
H15	-2.352	1.283	-0.442

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0863	1.0836	1.0858	2.5346	3.4847	2.7891	1.5319	2.1436	3.4858	4.3016	3.6927	2.4929	2.9658	2.7716
H2	1.0863		1.7567	1.7577	3.4847	4.3254	3.7891	2.1767	2.4874	3.4412	4.1794	3.5813	2.7484	3.2760	3.7665
H3	1.0836	1.7567		1.7631	2.7891	3.7891	2.6058	2.1612	3.0455	3.9315	4.6029	4.3630	2.7302	2.7404	3.1295
H4	1.0858	1.7577	1.7631		2.7716	3.7665	3.1295	2.1632	2.4837	4.3704	5.2544	4.4130	3.4430	3.9736	2.5655
C5	2.5346	3.4847	2.7891	2.7716		1.0863	1.0836	1.5319	2.1436	3.4858	4.3017	3.6927	2.4929	2.9659	1.0858
H6	3.4847	4.3254	3.7891	3.7665	1.0863		1.7567	2.1767	2.4874	3.4411	4.1795	3.5812	2.7484	3.2762	1.7577
H7	2.7891	3.7891	2.6058	3.1295	1.0836	1.7567		2.1612	3.0455	3.9315	4.6030	4.3630	2.7302	2.7405	1.7631
C8	1.5319	2.1767	2.1612	2.1632	1.5319	2.1767	2.1612		1.0878	2.4418	3.3542	2.6080	1.5231	2.3813	2.1632
H9	2.1436	2.4874	3.0455	2.4837	2.1436	2.4874	3.0455	1.0878		2.4815	3.4743	2.2123	2.1427	3.2371	2.4837
N10	3.4858	3.4412	3.9315	4.3704	3.4858	3.4411	3.9315	2.4418	2.4815		0.9932	0.9897	1.3539	2.2319	4.3704
H11	4.3016	4.1794	4.6029	5.2544	4.3017	4.1795	4.6030	3.3542	3.4743	0.9932		1.7102	2.0244	2.4652	5.2545
H12	3.6927	3.5813	4.3630	4.4130	3.6927	3.5812	4.3630	2.6080	2.2123	0.9897	1.7102		2.0614	3.1247	4.4130
C13	2.4929	2.7484	2.7302	3.4430	2.4929	2.7484	2.7302	1.5231	2.1427	1.3539	2.0244	2.0614		1.1952	3.4430
O14	2.9658	3.2760	2.7404	3.9736	2.9659	3.2762	2.7405	2.3813	3.2371	2.2319	2.4652	3.1247	1.1952		3.9737
H15	2.7716	3.7665	3.1295	2.5655	1.0858	1.7577	1.7631	2.1632	2.4837	4.3704	5.2545	4.4130	3.4430	3.9737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.636	C1	C8	H9	108.632
C1	C8	C13	109.367	H2	C1	H3	108.108
H2	C1	H4	108.039	H2	C1	C8	111.342
H3	C1	H4	108.719	H3	C1	C8	110.261
H4	C1	C8	110.288	C5	C8	H9	108.632
C5	C8	C13	109.367	H6	C5	H7	108.108
H6	C5	C8	111.342	H6	C5	H15	108.039
H7	C5	C8	110.261	H7	C5	H15	108.719
C8	C5	H15	110.287	C8	C13	N10	116.025
C8	C13	O14	121.871	H9	C8	C13	109.167
N10	C13	O14	122.105	H11	N10	H12	119.186
H11	N10	C13	118.385	H12	N10	C13	122.428

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

using model chemistry: HF/6-311G**

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	-0.215
2	H	0.092
3	H	0.120
4	H	0.092
5	C	-0.215
6	H	0.092
7	H	0.120
8	C	-0.249
9	H	0.091
10	N	-0.526
11	H	0.241
12	H	0.232
13	C	0.531
14	O	-0.499
15	H	0.092

	x	y	z	Total
	0.014	0.001	-3.824	3.824
CHELPG
AIM
ESP

	x	y	z
x	8.084	0.000	-0.226
y	0.000	6.791	-0.000
z	-0.226	-0.000	7.539

<r²>	171.682
(<r²>)^1/2	13.103

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

using model chemistry: HF/6-311G**

States and conformations

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