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	hartrees
Energy at 0K	-287.601186
Energy at 298.15K	-287.611298
HF Energy	-287.601186
Nuclear repulsion energy	246.834995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3599	26.56
2	A	3504	3462	21.09
3	A	3056	3019	25.83
4	A	3052	3015	2.81
5	A	3042	3005	33.63
6	A	3040	3003	15.37
7	A	2972	2936	16.77
8	A	2970	2934	31.65
9	A	2948	2912	32.45
10	A	1711	1690	253.00
11	A	1557	1538	103.05
12	A	1463	1445	15.34
13	A	1448	1430	11.27
14	A	1439	1422	1.75
15	A	1433	1416	1.23
16	A	1369	1352	49.68
17	A	1346	1330	21.79
18	A	1340	1324	5.34
19	A	1284	1268	1.53
20	A	1237	1222	82.88
21	A	1157	1143	3.34
22	A	1093	1079	5.07
23	A	1092	1078	0.69
24	A	1020	1007	5.60
25	A	949	937	0.18
26	A	902	891	1.62
27	A	897	886	3.41
28	A	749	739	1.83
29	A	733	724	4.68
30	A	594	587	4.54
31	A	584	577	9.22
32	A	461	455	2.50
33	A	316	312	1.04
34	A	278	275	4.99
35	A	236	233	1.83
36	A	233	230	4.57
37	A	210	207	6.63
38	A	185	183	152.75
39	A	31	30	6.82

Atom	x (Å)	y (Å)	z (Å)
C1	-1.360	-1.270	-0.022
H2	-0.855	-2.180	-0.374
H3	-1.404	-1.307	1.074
H4	-2.386	-1.274	-0.416
C5	-1.361	1.269	-0.021
H6	-0.857	2.180	-0.372
H7	-1.405	1.305	1.075
C8	-0.619	0.000	-0.468
H9	-0.544	0.001	-1.568
N10	1.824	0.001	-0.763
H11	2.775	0.000	-0.410
H12	1.671	0.001	-1.762
C13	0.792	0.001	0.134
O14	0.989	-0.001	1.346
H15	-2.387	1.273	-0.414

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0990	1.0978	1.0989	2.5386	3.5037	2.7992	1.5365	2.1609	3.5077	4.3432	3.7193	2.5039	3.0000	2.7701
H2	1.0990		1.7780	1.7797	3.5037	4.3600	3.8142	2.1949	2.5055	3.4762	4.2344	3.6147	2.7794	3.3327	3.7780
H3	1.0978	1.7780		1.7844	2.7992	3.8143	2.6118	2.1684	3.0708	3.9379	4.6234	4.3834	2.7232	2.7396	3.1364
H4	1.0989	1.7797	1.7844		2.7702	3.7780	3.1364	2.1799	2.5198	4.4132	5.3164	4.4616	3.4682	4.0145	2.5472
C5	2.5386	3.5037	2.7992	2.7702		1.0990	1.0978	1.5365	2.1609	3.5083	4.3440	3.7197	2.5038	3.0008	1.0989
H6	3.5037	4.3600	3.8143	3.7780	1.0990		1.7780	2.1949	2.5055	3.4773	4.2360	3.6155	2.7793	3.3340	1.7797
H7	2.7992	3.8142	2.6118	3.1364	1.0978	1.7780		2.1684	3.0708	3.9385	4.6243	4.3838	2.7231	2.7405	1.7844
C8	1.5365	2.1949	2.1684	2.1799	1.5365	2.1949	2.1684		1.1029	2.4607	3.3941	2.6306	1.5334	2.4236	2.1798
H9	2.1609	2.5055	3.0708	2.5198	2.1609	2.5055	3.0708	1.1029		2.5011	3.5149	2.2236	2.1634	3.2926	2.5197
N10	3.5077	3.4762	3.9379	4.4132	3.5083	3.4773	3.9385	2.4607	2.5011		1.0141	1.0108	1.3677	2.2689	4.4136
H11	4.3432	4.2344	4.6234	5.3164	4.3440	4.2360	4.6243	3.3941	3.5149	1.0141		1.7453	2.0564	2.5052	5.3171
H12	3.7193	3.6147	4.3834	4.4616	3.7197	3.6155	4.3838	2.6306	2.2236	1.0108	1.7453		2.0902	3.1827	4.4619
C13	2.5039	2.7794	2.7232	3.4682	2.5038	2.7793	2.7231	1.5334	2.1634	1.3677	2.0564	2.0902		1.2282	3.4681
O14	3.0000	3.3327	2.7396	4.0145	3.0008	3.3340	2.7405	2.4236	3.2926	2.2689	2.5052	3.1827	1.2282		4.0151
H15	2.7701	3.7780	3.1364	2.5472	1.0989	1.7797	1.7844	2.1798	2.5197	4.4136	5.3171	4.4619	3.4681	4.0151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.399	C1	C8	H9	108.805
C1	C8	C13	109.298	H2	C1	H3	108.063
H2	C1	H4	108.142	H2	C1	C8	111.704
H3	C1	H4	108.648	H3	C1	C8	109.678
H4	C1	C8	110.518	C5	C8	H9	108.806
C5	C8	C13	109.295	H6	C5	H7	108.063
H6	C5	C8	111.704	H6	C5	H15	108.142
H7	C5	C8	109.678	H7	C5	H15	108.649
C8	C5	H15	110.516	C8	C13	N10	115.917
C8	C13	O14	122.319	H9	C8	C13	109.207
N10	C13	O14	121.764	H11	N10	H12	119.072
H11	N10	C13	118.647	H12	N10	C13	122.281

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.260
2	H	0.078
3	H	0.098
4	H	0.076
5	C	-0.260
6	H	0.078
7	H	0.098
8	C	0.049
9	H	0.012
10	N	-0.245
11	H	0.181
12	H	0.167
13	C	0.171
14	O	-0.321
15	H	0.076

	x	y	z	Total
	0.262	-0.000	-3.578	3.587
CHELPG
AIM
ESP

	x	y	z
x	10.478	0.000	-0.417
y	0.000	8.388	0.000
z	-0.417	0.000	9.168

<r²>	174.108
(<r²>)^1/2	13.195

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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