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	hartrees
Energy at 0K	-287.777113
Energy at 298.15K	-287.787230
HF Energy	-287.777113
Nuclear repulsion energy	247.041862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3669	3622	24.46
2	A	3528	3482	17.54
3	A	3064	3024	35.98
4	A	3059	3020	2.96
5	A	3044	3005	46.59
6	A	3042	3002	19.04
7	A	2978	2940	20.67
8	A	2975	2936	41.26
9	A	2955	2917	36.43
10	A	1715	1693	281.40
11	A	1583	1562	92.86
12	A	1487	1467	12.40
13	A	1473	1453	9.80
14	A	1464	1445	1.51
15	A	1458	1439	1.21
16	A	1390	1372	28.42
17	A	1364	1346	2.76
18	A	1360	1342	33.44
19	A	1300	1283	2.00
20	A	1245	1228	114.82
21	A	1170	1154	5.22
22	A	1106	1092	5.80
23	A	1091	1077	0.97
24	A	1030	1016	7.05
25	A	954	942	0.08
26	A	916	904	1.17
27	A	893	881	2.89
28	A	753	743	1.77
29	A	733	723	4.00
30	A	601	594	4.57
31	A	583	575	9.20
32	A	469	463	2.69
33	A	322	318	1.14
34	A	284	280	4.83
35	A	238	235	1.10
36	A	236	233	4.22
37	A	210	208	1.86
38	A	175	173	159.81
39	A	7	7	7.49

Atom	x (Å)	y (Å)	z (Å)
C1	-1.360	-1.269	-0.021
H2	-0.846	-2.174	-0.361
H3	-1.421	-1.301	1.070
H4	-2.376	-1.276	-0.429
C5	-1.360	1.269	-0.022
H6	-0.846	2.174	-0.362
H7	-1.421	1.302	1.069
C8	-0.617	-0.000	-0.466
H9	-0.541	-0.000	-1.562
N10	1.821	-0.000	-0.765
H11	2.769	-0.000	-0.420
H12	1.663	-0.000	-1.759
C13	0.792	-0.000	0.139
O14	0.989	0.000	1.345
H15	-2.376	1.276	-0.430

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0950	1.0935	1.0949	2.5375	3.4976	2.7928	1.5360	2.1573	3.5039	4.3381	3.7103	2.5033	2.9990	2.7703
H2	1.0950		1.7722	1.7749	3.4976	4.3484	3.8023	2.1888	2.5024	3.4646	4.2197	3.6026	2.7681	3.3179	3.7746
H3	1.0935	1.7722		1.7776	2.7928	3.8023	2.6026	2.1678	3.0652	3.9458	4.6342	4.3827	2.7314	2.7530	3.1308
H4	1.0949	1.7749	1.7776		2.7703	3.7746	3.1308	2.1733	2.5055	4.3989	5.3010	4.4393	3.4623	4.0124	2.5521
C5	2.5375	3.4976	2.7928	2.7703		1.0950	1.0935	1.5360	2.1573	3.5039	4.3379	3.7101	2.5034	2.9988	1.0949
H6	3.4976	4.3484	3.8023	3.7746	1.0950		1.7722	2.1888	2.5025	3.4645	4.2192	3.6022	2.7681	3.3175	1.7749
H7	2.7928	3.8023	2.6026	3.1308	1.0935	1.7722		2.1678	3.0652	3.9457	4.6339	4.3825	2.7314	2.7528	1.7776
C8	1.5360	2.1888	2.1678	2.1733	1.5360	2.1888	2.1678		1.0987	2.4558	3.3865	2.6209	1.5334	2.4205	2.1733
H9	2.1573	2.5024	3.0652	2.5055	2.1573	2.5025	3.0652	1.0987		2.4925	3.5016	2.2127	2.1609	3.2850	2.5055
N10	3.5039	3.4646	3.9458	4.3989	3.5039	3.4645	3.9457	2.4558	2.4925		1.0092	1.0065	1.3687	2.2676	4.3989
H11	4.3381	4.2197	4.6342	5.3010	4.3379	4.2192	4.6339	3.3865	3.5016	1.0092		1.7365	2.0544	2.5070	5.3008
H12	3.7103	3.6026	4.3827	4.4393	3.7101	3.6022	4.3825	2.6209	2.2127	1.0065	1.7365		2.0875	3.1760	4.4392
C13	2.5033	2.7681	2.7314	3.4623	2.5034	2.7681	2.7314	1.5334	2.1609	1.3687	2.0544	2.0875		1.2224	3.4623
O14	2.9990	3.3179	2.7530	4.0124	2.9988	3.3175	2.7528	2.4205	3.2850	2.2676	2.5070	3.1760	1.2224		4.0122
H15	2.7703	3.7746	3.1308	2.5521	1.0949	1.7749	1.7776	2.1733	2.5055	4.3989	5.3008	4.4392	3.4623	4.0122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.496	C1	C8	H9	108.690
C1	C8	C13	109.437	H2	C1	H3	108.107
H2	C1	H4	108.174	H2	C1	C8	111.594
H3	C1	H4	108.636	H3	C1	C8	109.817
H4	C1	C8	110.427	C5	C8	H9	108.691
C5	C8	C13	109.434	H6	C5	H7	108.107
H6	C5	C8	111.594	H6	C5	H15	108.175
H7	C5	C8	109.818	H7	C5	H15	108.637
C8	C5	H15	110.425	C8	C13	N10	115.919
C8	C13	O14	122.467	H9	C8	C13	109.053
N10	C13	O14	121.614	H11	N10	H12	118.953
H11	N10	C13	118.769	H12	N10	C13	122.279

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.400
2	H	0.120
3	H	0.145
4	H	0.121
5	C	-0.400
6	H	0.120
7	H	0.145
8	C	-0.126
9	H	0.076
10	N	-0.670
11	H	0.162
12	H	0.186
13	C	1.191
14	O	-0.791
15	H	0.121

	x	y	z	Total
	0.127	-0.001	-3.601	3.604
CHELPG
AIM
ESP

	x	y	z
x	10.787	-0.000	-0.403
y	-0.000	8.834	0.000
z	-0.403	0.000	9.470

<r²>	174.113
(<r²>)^1/2	13.195

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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