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	hartrees
Energy at 0K	-287.878607
Energy at 298.15K	-287.888542
HF Energy	-287.878607
Nuclear repulsion energy	247.441036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3728	3598	26.73
2	A	3586	3460	25.46
3	A	3125	3015	34.98
4	A	3121	3012	2.88
5	A	3105	2996	43.90
6	A	3102	2994	20.10
7	A	3035	2928	17.35
8	A	3032	2926	38.13
9	A	3015	2910	38.97
10	A	1778	1716	234.23
11	A	1616	1560	96.03
12	A	1526	1473	9.67
13	A	1510	1457	8.26
14	A	1504	1451	0.82
15	A	1496	1443	0.25
16	A	1419	1370	33.12
17	A	1394	1346	34.67
18	A	1392	1343	1.29
19	A	1331	1284	2.90
20	A	1274	1230	103.16
21	A	1195	1153	2.80
22	A	1125	1086	5.35
23	A	1117	1077	0.12
24	A	1047	1010	4.63
25	A	972	938	0.18
26	A	922	890	1.67
27	A	912	880	2.87
28	A	768	741	3.27
29	A	748	722	3.41
30	A	600	579	5.81
31	A	599	578	10.41
32	A	459	443	3.30
33	A	314	303	0.73
34	A	278	268	4.29
35	A	233	224	0.10
36	A	231	223	5.98
37	A	210	202	0.08
38	A	53	52	176.74
39	A	23	22	4.30

Atom	x (Å)	y (Å)	z (Å)
C1	1.354	1.267	-0.023
H2	0.862	2.173	-0.391
H3	1.371	1.309	1.070
H4	2.384	1.262	-0.393
C5	1.353	-1.267	-0.024
H6	0.861	-2.173	-0.392
H7	1.371	-1.310	1.069
C8	0.613	0.000	-0.479
H9	0.539	0.000	-1.574
N10	-1.824	0.000	-0.754
H11	-2.767	-0.000	-0.395
H12	-1.684	0.000	-1.749
C13	-0.788	0.000	0.137
O14	-0.968	-0.000	1.345
H15	2.384	-1.262	-0.393

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0950	1.0938	1.0949	2.5339	3.4944	2.7989	1.5364	2.1622	3.4983	4.3268	3.7161	2.4938	2.9777	2.7558
H2	1.0950		1.7720	1.7746	3.4944	4.3459	3.8111	2.1888	2.4949	3.4736	4.2292	3.6115	2.7789	3.3293	3.7574
H3	1.0938	1.7720		1.7798	2.7989	3.8111	2.6196	2.1647	3.0657	3.9050	4.5806	4.3579	2.6923	2.6949	3.1272
H4	1.0949	1.7746	1.7798		2.7558	3.7574	3.1272	2.1762	2.5287	4.4085	5.3033	4.4699	3.4552	3.9811	2.5239
C5	2.5339	3.4944	2.7989	2.7558		1.0950	1.0938	1.5364	2.1622	3.4980	4.3263	3.7157	2.4938	2.9773	1.0949
H6	3.4944	4.3459	3.8111	3.7574	1.0950		1.7720	2.1888	2.4949	3.4732	4.2283	3.6107	2.7789	3.3287	1.7746
H7	2.7989	3.8111	2.6196	3.1272	1.0938	1.7720		2.1647	3.0657	3.9048	4.5801	4.3576	2.6924	2.6944	1.7798
C8	1.5364	2.1888	2.1647	2.1762	1.5364	2.1888	2.1647		1.0984	2.4530	3.3809	2.6248	1.5308	2.4133	2.1762
H9	2.1622	2.4949	3.0657	2.5287	2.1622	2.4949	3.0657	1.0984		2.5016	3.5094	2.2292	2.1654	3.2849	2.5287
N10	3.4983	3.4736	3.9050	4.4085	3.4980	3.4732	3.9048	2.4530	2.5016		1.0081	1.0055	1.3657	2.2662	4.4083
H11	4.3268	4.2292	4.5806	5.3033	4.3263	4.2283	4.5801	3.3809	3.5094	1.0081		1.7338	2.0484	2.5025	5.3029
H12	3.7161	3.6115	4.3579	4.4699	3.7157	3.6107	4.3576	2.6248	2.2292	1.0055	1.7338		2.0873	3.1754	4.4696
C13	2.4938	2.7789	2.6923	3.4552	2.4938	2.7789	2.6924	1.5308	2.1654	1.3657	2.0484	2.0873		1.2213	3.4552
O14	2.9777	3.3293	2.6949	3.9811	2.9773	3.3287	2.6944	2.4133	3.2849	2.2662	2.5025	3.1754	1.2213		3.9808
H15	2.7558	3.7574	3.1272	2.5239	1.0949	1.7746	1.7798	2.1762	2.5287	4.4083	5.3029	4.4696	3.4552	3.9808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.104	C1	C8	H9	109.169
C1	C8	C13	108.791	H2	C1	H3	108.116
H2	C1	H4	108.266	H2	C1	C8	111.466
H3	C1	H4	108.815	H3	C1	C8	109.634
H4	C1	C8	110.471	C5	C8	H9	109.169
C5	C8	C13	108.792	H6	C5	H7	108.116
H6	C5	C8	111.466	H6	C5	H15	108.265
H7	C5	C8	109.634	H7	C5	H15	108.815
C8	C5	H15	110.472	C8	C13	N10	115.635
C8	C13	O14	122.141	H9	C8	C13	109.801
N10	C13	O14	122.223	H11	N10	H12	118.865
H11	N10	C13	118.510	H12	N10	C13	122.626

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

using model chemistry: TPSSh/6-31G(2df,p)

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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