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	hartrees
Energy at 0K	-287.557842
Energy at 298.15K	-287.568219
HF Energy	-287.557842
Nuclear repulsion energy	247.973843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3783	3612	43.90
2	A	3636	3472	39.64
3	A	3160	3018	25.24
4	A	3157	3015	2.90
5	A	3144	3002	36.88
6	A	3142	3000	15.35
7	A	3064	2925	16.90
8	A	3061	2923	35.23
9	A	3049	2911	36.26
10	A	1801	1720	326.15
11	A	1628	1555	134.93
12	A	1518	1450	22.21
13	A	1503	1435	12.16
14	A	1492	1425	2.72
15	A	1486	1419	1.74
16	A	1431	1366	76.86
17	A	1414	1350	4.10
18	A	1397	1334	7.48
19	A	1334	1273	0.73
20	A	1289	1231	93.02
21	A	1201	1147	3.35
22	A	1138	1087	5.33
23	A	1137	1086	0.28
24	A	1064	1016	7.95
25	A	983	938	0.31
26	A	935	892	2.92
27	A	934	892	2.08
28	A	778	743	3.78
29	A	769	734	2.82
30	A	618	590	5.82
31	A	599	572	13.64
32	A	479	457	2.76
33	A	328	313	1.07
34	A	290	277	4.64
35	A	251	239	112.99
36	A	244	233	5.53
37	A	236	226	77.54
38	A	214	204	16.63
39	A	29	28	8.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.352	-1.263	-0.023
H2	-0.840	-2.170	-0.361
H3	-1.414	-1.292	1.069
H4	-2.367	-1.271	-0.432
C5	-1.352	1.263	-0.023
H6	-0.840	2.170	-0.360
H7	-1.414	1.292	1.069
C8	-0.612	0.000	-0.469
H9	-0.540	0.000	-1.565
N10	1.817	0.000	-0.758
H11	2.762	0.000	-0.405
H12	1.669	0.000	-1.753
C13	0.789	-0.000	0.137
O14	0.974	-0.000	1.343
H15	-2.367	1.271	-0.432

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0950	1.0937	1.0947	2.5252	3.4865	2.7790	1.5296	2.1521	3.4896	4.3201	3.7029	2.4907	2.9784	2.7603
H2	1.0950		1.7725	1.7735	3.4865	4.3391	3.7890	2.1841	2.4995	3.4532	4.2049	3.5970	2.7583	3.3015	3.7654
H3	1.0937	1.7725		1.7782	2.7790	3.7890	2.5846	2.1623	3.0610	3.9300	4.6126	4.3741	2.7184	2.7292	3.1199
H4	1.0947	1.7735	1.7782		2.7602	3.7654	3.1199	2.1674	2.4981	4.3854	5.2844	4.4329	3.4501	3.9917	2.5426
C5	2.5252	3.4865	2.7790	2.7602		1.0950	1.0937	1.5296	2.1521	3.4895	4.3200	3.7029	2.4907	2.9784	1.0947
H6	3.4865	4.3391	3.7890	3.7654	1.0950		1.7725	2.1841	2.4995	3.4531	4.2047	3.5969	2.7582	3.3014	1.7735
H7	2.7790	3.7890	2.5846	3.1199	1.0937	1.7725		2.1623	3.0610	3.9300	4.6126	4.3740	2.7184	2.7292	1.7782
C8	1.5296	2.1841	2.1623	2.1674	1.5296	2.1841	2.1623		1.0986	2.4466	3.3747	2.6177	1.5267	2.4080	2.1674
H9	2.1521	2.4995	3.0610	2.4981	2.1521	2.4995	3.0610	1.0986		2.4908	3.4991	2.2163	2.1592	3.2780	2.4981
N10	3.4896	3.4532	3.9300	4.3854	3.4895	3.4531	3.9300	2.4466	2.4908		1.0085	1.0057	1.3632	2.2633	4.3853
H11	4.3201	4.2049	4.6126	5.2844	4.3200	4.2047	4.6126	3.3747	3.4991	1.0085		1.7352	2.0459	2.4997	5.2843
H12	3.7029	3.5970	4.3741	4.4329	3.7029	3.5969	4.3740	2.6177	2.2163	1.0057	1.7352		2.0847	3.1722	4.4329
C13	2.4907	2.7583	2.7184	3.4501	2.4907	2.7582	2.7184	1.5267	2.1592	1.3632	2.0459	2.0847		1.2195	3.4500
O14	2.9784	3.3015	2.7292	3.9917	2.9784	3.3014	2.7292	2.4080	3.2780	2.2633	2.4997	3.1722	1.2195		3.9917
H15	2.7603	3.7654	3.1199	2.5426	1.0947	1.7735	1.7782	2.1674	2.4981	4.3853	5.2843	4.4329	3.4500	3.9917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.261	C1	C8	H9	108.832
C1	C8	C13	109.160	H2	C1	H3	108.158
H2	C1	H4	108.177	H2	C1	C8	111.575
H3	C1	H4	108.689	H3	C1	C8	109.910
H4	C1	C8	110.252	C5	C8	H9	108.832
C5	C8	C13	109.158	H6	C5	H7	108.158
H6	C5	C8	111.575	H6	C5	H15	108.177
H7	C5	C8	109.909	H7	C5	H15	108.689
C8	C5	H15	110.252	C8	C13	N10	115.568
C8	C13	O14	122.129	H9	C8	C13	109.580
N10	C13	O14	122.303	H11	N10	H12	118.966
H11	N10	C13	118.460	H12	N10	C13	122.574

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.621
2	H	0.167
3	H	0.197
4	H	0.163
5	C	-0.621
6	H	0.167
7	H	0.197
8	C	0.147
9	H	0.132
10	N	-0.564
11	H	0.331
12	H	0.306
13	C	0.348
14	O	-0.511
15	H	0.163

	x	y	z	Total
	0.100	0.000	-3.801	3.802
CHELPG
AIM
ESP

	x	y	z
x	9.563	0.000	-0.322
y	0.000	7.871	0.000
z	-0.322	0.000	8.744

<r²>	172.716
(<r²>)^1/2	13.142

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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