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	hartrees
Energy at 0K	-286.109166
Energy at 298.15K	-286.119688
Nuclear repulsion energy	249.315737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3996	3614	39.56
2	A	3857	3488	45.52
3	A	3274	2961	62.69
4	A	3267	2954	3.28
5	A	3239	2930	80.35
6	A	3235	2926	27.56
7	A	3190	2885	25.40
8	A	3181	2877	56.74
9	A	3175	2872	36.20
10	A	1946	1760	397.47
11	A	1808	1635	126.33
12	A	1650	1492	18.22
13	A	1636	1479	10.29
14	A	1625	1470	1.94
15	A	1621	1466	0.79
16	A	1559	1410	68.30
17	A	1555	1406	5.98
18	A	1537	1390	2.22
19	A	1462	1322	0.54
20	A	1394	1261	153.46
21	A	1302	1178	7.22
22	A	1242	1124	9.84
23	A	1216	1100	0.01
24	A	1165	1054	11.21
25	A	1049	949	0.28
26	A	1012	916	1.37
27	A	982	888	0.86
28	A	857	775	14.00
29	A	818	740	1.28
30	A	669	605	11.77
31	A	633	573	16.38
32	A	513	464	4.53
33	A	346	313	0.96
34	A	312	282	6.43
35	A	264	239	4.22
36	A	262	237	0.03
37	A	235	213	0.23
38	A	122	110	262.16
39	A	12	11	10.25

Atom	x (Å)	y (Å)	z (Å)
C1	-1.351	-1.266	-0.023
H2	-0.837	-2.163	-0.354
H3	-1.430	-1.306	1.056
H4	-2.352	-1.283	-0.442
C5	-1.351	1.266	-0.022
H6	-0.836	2.163	-0.352
H7	-1.429	1.304	1.057
C8	-0.610	0.000	-0.461
H9	-0.536	0.001	-1.546
N10	1.816	0.001	-0.745
H11	2.743	0.000	-0.394
H12	1.677	0.001	-1.724
C13	0.790	-0.000	0.139
O14	0.971	-0.001	1.320
H15	-2.352	1.284	-0.440

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0854	1.0825	1.0850	2.5326	3.4835	2.7896	1.5313	2.1421	3.4863	4.3017	3.6969	2.4928	2.9663	2.7712
H2	1.0854		1.7534	1.7542	3.4835	4.3263	3.7902	2.1776	2.4885	3.4450	4.1828	3.5885	2.7508	3.2780	3.7663
H3	1.0825	1.7534		1.7590	2.7896	3.7902	2.6099	2.1626	3.0452	3.9346	4.6066	4.3685	2.7335	2.7451	3.1296
H4	1.0850	1.7542	1.7590		2.7713	3.7663	3.1298	2.1638	2.4831	4.3712	5.2544	4.4185	3.4433	3.9740	2.5675
C5	2.5326	3.4835	2.7896	2.7713		1.0854	1.0825	1.5313	2.1421	3.4859	4.3016	3.6967	2.4928	2.9665	1.0850
H6	3.4835	4.3263	3.7902	3.7663	1.0854		1.7534	2.1776	2.4885	3.4445	4.1826	3.5881	2.7508	3.2784	1.7542
H7	2.7896	3.7902	2.6099	3.1298	1.0825	1.7534		2.1626	3.0452	3.9342	4.6063	4.3682	2.7334	2.7452	1.7590
C8	1.5313	2.1776	2.1626	2.1638	1.5313	2.1776	2.1626		1.0874	2.4422	3.3539	2.6125	1.5233	2.3818	2.1638
H9	2.1421	2.4885	3.0452	2.4831	2.1421	2.4885	3.0452	1.0874		2.4838	3.4752	2.2198	2.1439	3.2381	2.4831
N10	3.4863	3.4450	3.9346	4.3712	3.4859	3.4445	3.9342	2.4422	2.4838		0.9917	0.9883	1.3540	2.2314	4.3710
H11	4.3017	4.1828	4.6066	5.2544	4.3016	4.1826	4.6063	3.3539	3.4752	0.9917		1.7042	2.0246	2.4657	5.2543
H12	3.6969	3.5885	4.3685	4.4185	3.6967	3.5881	4.3682	2.6125	2.2198	0.9883	1.7042		2.0631	3.1248	4.4185
C13	2.4928	2.7508	2.7335	3.4433	2.4928	2.7508	2.7334	1.5233	2.1439	1.3540	2.0246	2.0631		1.1951	3.4433
O14	2.9663	3.2780	2.7451	3.9740	2.9665	3.2784	2.7452	2.3818	3.2381	2.2314	2.4657	3.1248	1.1951		3.9741
H15	2.7712	3.7663	3.1296	2.5675	1.0850	1.7542	1.7590	2.1638	2.4831	4.3710	5.2543	4.4185	3.4433	3.9741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.577	C1	C8	H9	108.586
C1	C8	C13	109.392	H2	C1	H3	107.953
H2	C1	H4	107.847	H2	C1	C8	111.516
H3	C1	H4	108.496	H3	C1	C8	110.487
H4	C1	C8	110.432	C5	C8	H9	108.585
C5	C8	C13	109.390	H6	C5	H7	107.954
H6	C5	C8	111.516	H6	C5	H15	107.846
H7	C5	C8	110.487	H7	C5	H15	108.495
C8	C5	H15	110.433	C8	C13	N10	116.036
C8	C13	O14	121.909	H9	C8	C13	109.274
N10	C13	O14	122.055	H11	N10	H12	118.779
H11	N10	C13	118.514	H12	N10	C13	122.707

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	CHELPG	ESP
1	C	-0.607	-0.263	-0.472
2	H	0.213	0.041	0.101
3	H	0.237	0.071	0.133
4	H	0.210	0.071	0.128
5	C	-0.607	-0.263	-0.472
6	H	0.213	0.041	0.101
7	H	0.237	0.071	0.133
8	C	-0.338	0.202	0.227
9	H	0.198	-0.039	-0.001
10	N	-0.906	-1.184	-1.165
11	H	0.383	0.484	0.483
12	H	0.379	0.447	0.443
13	C	0.677	0.925	0.882
14	O	-0.501	-0.675	-0.648
15	H	0.210	0.071	0.128

	x	y	z	Total
	0.058	0.002	-3.861	3.862
CHELPG
AIM
ESP	0.036	0.002	-3.859	3.859

	x	y	z
x	7.936	0.000	-0.217
y	0.000	6.626	-0.001
z	-0.217	-0.001	7.443

<r²>	171.794
(<r²>)^1/2	13.107

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-)