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	hartrees
Energy at 0K	-286.309885
Energy at 298.15K	-286.320118
HF Energy	-286.309885
Nuclear repulsion energy	249.218581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3571	33.52
2	A	3506	3440	30.07
3	A	3082	3024	13.92
4	A	3080	3021	1.80
5	A	3076	3018	21.32
6	A	3076	3017	14.20
7	A	2990	2933	12.36
8	A	2989	2932	22.03
9	A	2962	2906	33.77
10	A	1803	1769	215.77
11	A	1569	1539	163.39
12	A	1479	1451	23.53
13	A	1457	1430	14.83
14	A	1450	1422	2.33
15	A	1437	1410	1.41
16	A	1400	1373	57.33
17	A	1362	1336	12.27
18	A	1347	1321	13.85
19	A	1291	1266	0.22
20	A	1258	1234	39.58
21	A	1173	1151	0.83
22	A	1125	1103	0.16
23	A	1104	1083	4.76
24	A	1028	1009	9.95
25	A	962	944	0.36
26	A	929	911	5.25
27	A	899	882	4.33
28	A	764	749	7.29
29	A	760	746	5.49
30	A	603	592	15.75
31	A	599	587	4.60
32	A	462	453	3.03
33	A	322	316	0.92
34	A	292	287	3.90
35	A	247	243	114.91
36	A	246	241	8.57
37	A	236	232	82.85
38	A	207	204	16.48
39	A	21	21	8.43

Atom	x (Å)	y (Å)	z (Å)
C1	1.333	1.246	-0.029
H2	0.853	2.169	-0.398
H3	1.317	1.273	1.075
H4	2.383	1.239	-0.369
C5	1.333	-1.246	-0.028
H6	0.853	-2.169	-0.396
H7	1.317	-1.272	1.076
C8	0.605	-0.000	-0.492
H9	0.526	-0.000	-1.599
N10	-1.817	-0.000	-0.738
H11	-2.762	-0.000	-0.357
H12	-1.683	-0.001	-1.746
C13	-0.776	-0.000	0.130
O14	-0.931	0.000	1.345
H15	2.383	-1.239	-0.368

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1036	1.1041	1.1036	2.4918	3.4679	2.7496	1.5157	2.1611	3.4607	4.2935	3.6882	2.4546	2.9266	2.7193
H2	1.1036		1.7850	1.7905	3.4679	4.3375	3.7715	2.1849	2.5009	3.4563	4.2161	3.5997	2.7630	3.3046	3.7360
H3	1.1041	1.7850		1.7948	2.7496	3.7715	2.5448	2.1408	3.0651	3.8374	4.5070	4.3107	2.6252	2.5971	3.0870
H4	1.1036	1.7905	1.7948		2.7193	3.7360	3.0869	2.1707	2.5497	4.3943	5.2927	4.4690	3.4298	3.9313	2.4788
C5	2.4918	3.4679	2.7496	2.7193		1.1036	1.1041	1.5157	2.1611	3.4607	4.2936	3.6883	2.4546	2.9268	1.1036
H6	3.4679	4.3375	3.7715	3.7360	1.1036		1.7850	2.1849	2.5009	3.4564	4.2163	3.5997	2.7630	3.3049	1.7905
H7	2.7496	3.7715	2.5448	3.0869	1.1041	1.7850		2.1408	3.0651	3.8374	4.5071	4.3107	2.6252	2.5973	1.7948
C8	1.5157	2.1849	2.1408	2.1707	1.5157	2.1849	2.1408		1.1091	2.4344	3.3705	2.6098	1.5150	2.3953	2.1707
H9	2.1611	2.5009	3.0651	2.5497	2.1611	2.5009	3.0651	1.1091		2.4953	3.5144	2.2139	2.1639	3.2844	2.5496
N10	3.4607	3.4563	3.8374	4.3943	3.4607	3.4564	3.8374	2.4344	2.4953		1.0195	1.0172	1.3553	2.2634	4.3944
H11	4.2935	4.2161	4.5070	5.2927	4.2936	4.2163	4.5071	3.3705	3.5144	1.0195		1.7587	2.0456	2.5005	5.2928
H12	3.6882	3.5997	4.3107	4.4690	3.6883	3.5997	4.3107	2.6098	2.2139	1.0172	1.7587		2.0845	3.1816	4.4690
C13	2.4546	2.7630	2.6252	3.4298	2.4546	2.7630	2.6252	1.5150	2.1639	1.3553	2.0456	2.0845		1.2248	3.4297
O14	2.9266	3.3046	2.5971	3.9313	2.9268	3.3049	2.5973	2.3953	3.2844	2.2634	2.5005	3.1816	1.2248		3.9314
H15	2.7193	3.7360	3.0870	2.4788	1.1036	1.7905	1.7948	2.1707	2.5496	4.3944	5.2928	4.4690	3.4297	3.9314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.575	C1	C8	H9	109.872
C1	C8	C13	108.177	H2	C1	H3	107.902
H2	C1	H4	108.424	H2	C1	C8	112.100
H3	C1	H4	108.775	H3	C1	C8	108.584
H4	C1	C8	110.960	C5	C8	H9	109.872
C5	C8	C13	108.176	H6	C5	H7	107.902
H6	C5	C8	112.100	H6	C5	H15	108.424
H7	C5	C8	108.584	H7	C5	H15	108.775
C8	C5	H15	110.960	C8	C13	N10	115.904
C8	C13	O14	121.550	H9	C8	C13	110.136
N10	C13	O14	122.546	H11	N10	H12	119.435
H11	N10	C13	118.258	H12	N10	C13	122.307

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

using model chemistry: SVWN/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	-0.531
2	H	0.174
3	H	0.201
4	H	0.170
5	C	-0.531
6	H	0.174
7	H	0.201
8	C	-0.185
9	H	0.136
10	N	-0.745
11	H	0.354
12	H	0.347
13	C	0.519
14	O	-0.453
15	H	0.170

	x	y	z	Total
	-0.588	-0.001	-3.469	3.518
CHELPG
AIM
ESP

	x	y	z
x	8.876	0.000	0.380
y	0.000	6.605	0.000
z	0.380	0.000	7.850

<r²>	169.523
(<r²>)^1/2	13.020

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

using model chemistry: SVWN/6-31G*

States and conformations

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