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	hartrees
Energy at 0K	-287.501411
Energy at 298.15K	-287.511289
Nuclear repulsion energy	246.613494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3662	3624	24.25
2	A	3519	3482	20.80
3	A	3070	3038	24.09
4	A	3067	3035	2.03
5	A	3055	3024	31.31
6	A	3053	3022	15.76
7	A	2978	2947	14.61
8	A	2975	2945	30.67
9	A	2954	2924	34.52
10	A	1745	1727	208.61
11	A	1558	1542	100.14
12	A	1466	1451	12.47
13	A	1448	1433	9.36
14	A	1441	1426	1.07
15	A	1432	1417	0.38
16	A	1367	1353	54.25
17	A	1345	1331	15.06
18	A	1334	1320	3.62
19	A	1284	1271	2.75
20	A	1238	1226	76.10
21	A	1158	1146	2.25
22	A	1094	1082	0.16
23	A	1092	1081	4.80
24	A	1017	1006	4.75
25	A	949	939	0.19
26	A	898	889	3.64
27	A	897	888	2.08
28	A	751	743	2.63
29	A	734	726	4.85
30	A	590	584	4.61
31	A	588	582	9.64
32	A	458	453	2.90
33	A	315	312	0.87
34	A	281	278	4.52
35	A	232	230	0.12
36	A	232	230	5.73
37	A	208	206	0.10
38	A	66	66	163.65
39	A	21	20	4.39

Atom	x (Å)	y (Å)	z (Å)
C1	1.356	1.269	-0.024
H2	0.867	2.182	-0.400
H3	1.362	1.314	1.076
H4	2.398	1.263	-0.384
C5	1.356	-1.269	-0.024
H6	0.867	-2.182	-0.399
H7	1.363	-1.314	1.077
C8	0.617	-0.000	-0.480
H9	0.542	-0.000	-1.583
N10	-1.827	-0.000	-0.759
H11	-2.777	-0.000	-0.401
H12	-1.681	-0.001	-1.760
C13	-0.791	-0.000	0.138
O14	-0.972	0.000	1.351
H15	2.398	-1.263	-0.384

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1022	1.1014	1.1020	2.5375	3.5056	2.8074	1.5378	2.1693	3.5053	4.3398	3.7215	2.4995	2.9871	2.7612
H2	1.1022		1.7826	1.7857	3.5056	4.3643	3.8271	2.1979	2.5040	3.4858	4.2470	3.6201	2.7927	3.3479	3.7700
H3	1.1014	1.7826		1.7910	2.8074	3.8271	2.6280	2.1692	3.0784	3.9080	4.5871	4.3630	2.6919	2.6930	3.1379
H4	1.1020	1.7857	1.7910		2.7612	3.7700	3.1378	2.1857	2.5455	4.4261	5.3265	4.4861	3.4694	3.9954	2.5260
C5	2.5375	3.5056	2.8074	2.7612		1.1022	1.1014	1.5378	2.1693	3.5054	4.3398	3.7213	2.4995	2.9872	1.1020
H6	3.5056	4.3643	3.8271	3.7700	1.1022		1.7826	2.1979	2.5040	3.4860	4.2471	3.6199	2.7927	3.3481	1.7857
H7	2.8074	3.8271	2.6280	3.1378	1.1014	1.7826		2.1692	3.0784	3.9081	4.5871	4.3629	2.6919	2.6931	1.7910
C8	1.5378	2.1979	2.1692	2.1857	1.5378	2.1979	2.1692		1.1062	2.4600	3.3941	2.6301	1.5372	2.4243	2.1857
H9	2.1693	2.5040	3.0784	2.5455	2.1693	2.5040	3.0784	1.1062		2.5086	3.5228	2.2295	2.1769	3.3024	2.5455
N10	3.5053	3.4858	3.9080	4.4261	3.5054	3.4860	3.9081	2.4600	2.5086		1.0145	1.0119	1.3705	2.2773	4.4261
H11	4.3398	4.2470	4.5871	5.3265	4.3398	4.2471	4.5871	3.3941	3.5228	1.0145		1.7462	2.0572	2.5152	5.3265
H12	3.7215	3.6201	4.3630	4.4861	3.7213	3.6199	4.3629	2.6301	2.2295	1.0119	1.7462		2.0961	3.1914	4.4860
C13	2.4995	2.7927	2.6919	3.4694	2.4995	2.7927	2.6919	1.5372	2.1769	1.3705	2.0572	2.0961		1.2272	3.4694
O14	2.9871	3.3479	2.6930	3.9954	2.9872	3.3481	2.6931	2.4243	3.3024	2.2773	2.5152	3.1914	1.2272		3.9955
H15	2.7612	3.7700	3.1379	2.5260	1.1020	1.7857	1.7910	2.1857	2.5455	4.4261	5.3265	4.4860	3.4694	3.9955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.184	C1	C8	H9	109.169
C1	C8	C13	108.751	H2	C1	H3	107.984
H2	C1	H4	108.223	H2	C1	C8	111.661
H3	C1	H4	108.745	H3	C1	C8	109.439
H4	C1	C8	110.703	C5	C8	H9	109.169
C5	C8	C13	108.751	H6	C5	H7	107.984
H6	C5	C8	111.661	H6	C5	H15	108.223
H7	C5	C8	109.439	H7	C5	H15	108.745
C8	C5	H15	110.703	C8	C13	N10	115.448
C8	C13	O14	122.166	H9	C8	C13	109.803
N10	C13	O14	122.386	H11	N10	H12	119.029
H11	N10	C13	118.446	H12	N10	C13	122.525

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

using model chemistry: PBEPBE/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	-0.407
2	H	0.124
3	H	0.151
4	H	0.121
5	C	-0.407
6	H	0.124
7	H	0.151
8	C	-0.097
9	H	0.072
10	N	-0.527
11	H	0.258
12	H	0.257
13	C	0.407
14	O	-0.349
15	H	0.121

	x	y	z	Total
	-0.434	-0.001	-3.326	3.355
CHELPG
AIM
ESP

	x	y	z
x	9.370	0.000	0.374
y	0.000	7.170	0.000
z	0.374	0.000	8.112

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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