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	hartrees
Energy at 0K	-287.508119
Energy at 298.15K	-287.518268
Nuclear repulsion energy	245.802719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3615	30.29
2	A	3511	3471	22.75
3	A	3073	3038	25.86
4	A	3070	3035	3.00
5	A	3058	3023	35.79
6	A	3056	3022	15.66
7	A	2981	2947	19.28
8	A	2979	2945	36.51
9	A	2957	2923	37.27
10	A	1715	1695	287.73
11	A	1567	1549	109.36
12	A	1470	1453	17.90
13	A	1455	1439	12.73
14	A	1446	1430	2.47
15	A	1439	1423	1.88
16	A	1373	1357	50.59
17	A	1355	1340	21.78
18	A	1346	1331	6.46
19	A	1284	1269	1.76
20	A	1239	1225	93.28
21	A	1157	1144	3.54
22	A	1094	1081	4.89
23	A	1092	1080	1.10
24	A	1020	1009	6.82
25	A	949	938	0.23
26	A	904	894	1.79
27	A	899	889	3.41
28	A	742	733	1.55
29	A	735	727	3.82
30	A	594	587	4.17
31	A	583	577	12.34
32	A	462	457	2.44
33	A	318	315	1.04
34	A	280	277	4.16
35	A	237	234	22.36
36	A	234	231	6.75
37	A	217	214	77.76
38	A	202	200	88.71
39	A	33	32	7.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.360	1.275	0.011
H2	0.849	2.196	-0.314
H3	1.412	1.283	1.112
H4	2.388	1.292	-0.390
C5	1.368	-1.268	-0.055
H6	0.864	-2.174	-0.429
H7	1.418	-1.334	1.044
C8	0.620	0.013	-0.469
H9	0.545	0.041	-1.573
N10	-1.829	0.025	-0.768
H11	-2.783	0.014	-0.413
H12	-1.678	0.055	-1.771
C13	-0.794	-0.007	0.134
O14	-0.992	-0.046	1.354
H15	2.397	-1.257	-0.453

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1028	1.1020	1.1028	2.5433	3.5121	2.8063	1.5400	2.1671	3.5132	4.3514	3.7274	2.5094	3.0141	2.7743
H2	1.1028		1.7843	1.7864	3.5122	4.3719	3.8248	2.2011	2.5145	3.4778	4.2381	3.6184	2.7842	3.3469	3.7863
H3	1.1020	1.7843		1.7903	2.8052	3.8245	2.6177	2.1773	3.0829	3.9528	4.6405	4.4008	2.7359	2.7585	3.1413
H4	1.1028	1.7864	1.7903		2.7754	3.7865	3.1448	2.1838	2.5223	4.4195	5.3261	4.4685	3.4759	4.0319	2.5493
C5	2.5433	3.5122	2.8052	2.7754		1.1028	1.1020	1.5398	2.1673	3.5218	4.3592	3.7382	2.5100	3.0083	1.1028
H6	3.5121	4.3719	3.8245	3.7865	1.1028		1.7842	2.2008	2.5139	3.4933	4.2529	3.6375	2.7863	3.3397	1.7864
H7	2.8063	3.8248	2.6177	3.1448	1.1020	1.7842		2.1769	3.0829	3.9590	4.6462	4.4089	2.7351	2.7503	1.7905
C8	1.5400	2.2011	2.1773	2.1838	1.5398	2.2008	2.1769		1.1075	2.4672	3.4029	2.6412	1.5368	2.4342	2.1836
H9	2.1671	2.5145	3.0829	2.5223	2.1673	2.5139	3.0829	1.1075		2.5072	3.5242	2.2316	2.1703	3.3077	2.5233
N10	3.5132	3.4778	3.9528	4.4195	3.5218	3.4933	3.9590	2.4672	2.5072		1.0173	1.0150	1.3737	2.2819	4.4269
H11	4.3514	4.2381	4.6405	5.3261	4.3592	4.2529	4.6462	3.4029	3.5242	1.0173		1.7510	2.0631	2.5163	5.3330
H12	3.7274	3.6184	4.4008	4.4685	3.7382	3.6375	4.4089	2.6412	2.2316	1.0150	1.7510		2.1013	3.2008	4.4785
C13	2.5094	2.7842	2.7359	3.4759	2.5100	2.7863	2.7351	1.5368	2.1703	1.3737	2.0631	2.1013		1.2365	3.4763
O14	3.0141	3.3469	2.7585	4.0319	3.0083	3.3397	2.7503	2.4342	3.3077	2.2819	2.5163	3.2008	1.2365		4.0270
H15	2.7743	3.7863	3.1413	2.5493	1.1028	1.7864	1.7905	2.1836	2.5233	4.4269	5.3330	4.4785	3.4763	4.0270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.336	C1	C8	H9	108.783
C1	C8	C13	109.288	H2	C1	H3	108.048
H2	C1	H4	108.178	H2	C1	C8	111.718
H3	C1	H4	108.579	H3	C1	C8	109.881
H4	C1	C8	110.348	C5	C8	H9	108.814
C5	C8	C13	109.342	H6	C5	H7	108.040
H6	C5	C8	111.712	H6	C5	H15	108.179
H7	C5	C8	109.873	H7	C5	H15	108.599
C8	C5	H15	110.349	C8	C13	N10	115.807
C8	C13	O14	122.371	H9	C8	C13	109.247
N10	C13	O14	121.822	H11	N10	H12	118.988
H11	N10	C13	118.516	H12	N10	C13	122.495

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

using model chemistry: PBEPBE/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	-0.645
2	H	0.170
3	H	0.199
4	H	0.166
5	C	-0.646
6	H	0.170
7	H	0.199
8	C	0.164
9	H	0.132
10	N	-0.505
11	H	0.320
12	H	0.294
13	C	0.286
14	O	-0.471
15	H	0.166

	x	y	z	Total
	-0.130	0.121	-3.710	3.714
CHELPG
AIM
ESP

	x	y	z
x	10.402	-0.013	0.389
y	-0.013	8.374	-0.038
z	0.389	-0.038	9.291

<r²>	175.609
(<r²>)^1/2	13.252

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

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

States and conformations

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