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	hartrees
Energy at 0K	-287.962089
Energy at 298.15K	-287.972256
HF Energy	-287.962089
Nuclear repulsion energy	247.708011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3713	3595	27.52
2	A	3573	3460	25.10
3	A	3110	3011	35.64
4	A	3106	3007	3.06
5	A	3091	2993	45.35
6	A	3088	2991	19.74
7	A	3027	2931	18.20
8	A	3024	2929	37.01
9	A	3009	2914	35.52
10	A	1754	1698	268.86
11	A	1617	1565	96.99
12	A	1524	1476	11.45
13	A	1510	1462	9.90
14	A	1503	1455	1.19
15	A	1496	1449	0.76
16	A	1422	1377	32.03
17	A	1397	1353	2.29
18	A	1395	1351	37.09
19	A	1331	1288	1.77
20	A	1274	1233	108.55
21	A	1196	1158	4.00
22	A	1127	1091	5.83
23	A	1116	1080	0.44
24	A	1050	1017	5.72
25	A	972	941	0.15
26	A	927	898	1.37
27	A	910	882	2.67
28	A	766	742	2.48
29	A	747	723	3.39
30	A	603	584	5.80
31	A	598	579	9.38
32	A	460	446	3.00
33	A	313	303	0.85
34	A	276	267	4.75
35	A	236	228	0.49
36	A	233	225	5.06
37	A	212	205	0.93
38	A	157	152	167.17
39	A	31	30	6.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.355	-1.266	-0.023
H2	-0.846	-2.169	-0.367
H3	-1.408	-1.299	1.066
H4	-2.371	-1.271	-0.424
C5	-1.355	1.266	-0.023
H6	-0.846	2.169	-0.367
H7	-1.408	1.299	1.067
C8	-0.613	0.000	-0.470
H9	-0.540	0.000	-1.563
N10	1.819	0.000	-0.759
H11	2.764	0.000	-0.410
H12	1.669	0.000	-1.752
C13	0.791	0.000	0.139
O14	0.976	-0.000	1.343
H15	-2.371	1.271	-0.424

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0925	1.0908	1.0924	2.5312	3.4891	2.7865	1.5339	2.1537	3.4958	4.3268	3.7063	2.4966	2.9835	2.7621
H2	1.0925		1.7686	1.7701	3.4891	4.3380	3.7942	2.1839	2.4957	3.4589	4.2124	3.5985	2.7643	3.3092	3.7634
H3	1.0908	1.7686		1.7748	2.7866	3.7942	2.5975	2.1633	3.0585	3.9287	4.6125	4.3701	2.7172	2.7292	3.1232
H4	1.0924	1.7701	1.7748		2.7621	3.7633	3.1231	2.1699	2.5027	4.3916	5.2903	4.4383	3.4541	3.9928	2.5426
C5	2.5312	3.4891	2.7866	2.7621		1.0925	1.0908	1.5339	2.1537	3.4958	4.3267	3.7061	2.4966	2.9836	1.0924
H6	3.4891	4.3380	3.7942	3.7633	1.0925		1.7686	2.1839	2.4957	3.4590	4.2123	3.5983	2.7643	3.3092	1.7701
H7	2.7865	3.7942	2.5975	3.1231	1.0908	1.7686		2.1633	3.0585	3.9287	4.6125	4.3700	2.7172	2.7292	1.7747
C8	1.5339	2.1839	2.1633	2.1699	1.5339	2.1839	2.1633		1.0955	2.4494	3.3778	2.6172	1.5303	2.4109	2.1699
H9	2.1537	2.4957	3.0585	2.5027	2.1537	2.4957	3.0585	1.0955		2.4932	3.5003	2.2174	2.1610	3.2782	2.5027
N10	3.4958	3.4589	3.9287	4.3916	3.4958	3.4590	3.9287	2.4494	2.4932		1.0073	1.0046	1.3651	2.2645	4.3916
H11	4.3268	4.2124	4.6125	5.2903	4.3267	4.2123	4.6125	3.3778	3.5003	1.0073		1.7325	2.0482	2.5039	5.2902
H12	3.7063	3.5985	4.3701	4.4383	3.7061	3.5983	4.3700	2.6172	2.2174	1.0046	1.7325		2.0847	3.1714	4.4382
C13	2.4966	2.7643	2.7172	3.4541	2.4966	2.7643	2.7172	1.5303	2.1610	1.3651	2.0482	2.0847		1.2182	3.4541
O14	2.9835	3.3092	2.7292	3.9928	2.9836	3.3092	2.7292	2.4109	3.2782	2.2645	2.5039	3.1714	1.2182		3.9928
H15	2.7621	3.7634	3.1232	2.5426	1.0924	1.7701	1.7747	2.1699	2.5027	4.3916	5.2902	4.4382	3.4541	3.9928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.202	C1	C8	H9	108.847
C1	C8	C13	109.134	H2	C1	H3	108.201
H2	C1	H4	108.226	H2	C1	C8	111.411
H3	C1	H4	108.762	H3	C1	C8	109.867
H4	C1	C8	110.301	C5	C8	H9	108.848
C5	C8	C13	109.133	H6	C5	H7	108.201
H6	C5	C8	111.411	H6	C5	H15	108.225
H7	C5	C8	109.868	H7	C5	H15	108.762
C8	C5	H15	110.301	C8	C13	N10	115.435
C8	C13	O14	122.199	H9	C8	C13	109.659
N10	C13	O14	122.365	H11	N10	H12	118.887
H11	N10	C13	118.617	H12	N10	C13	122.496

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

using model chemistry: TPSSh/cc-pVTZ

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	-0.203
2	H	0.066
3	H	0.089
4	H	0.066
5	C	-0.203
6	H	0.066
7	H	0.089
8	C	-0.055
9	H	0.049
10	N	-0.226
11	H	0.154
12	H	0.156
13	C	0.248
14	O	-0.361
15	H	0.066

	x	y	z	Total
	-0.265	-0.001	-3.594	3.603
CHELPG
AIM
ESP

	x	y	z
x	9.841	0.000	0.384
y	0.000	7.912	0.000
z	0.384	0.000	8.658

<r²>	172.820
(<r²>)^1/2	13.146

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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