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	hartrees
Energy at 0K	-287.803226
Energy at 298.15K	-287.813530
Nuclear repulsion energy	248.025940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3754	3614	25.05
2	A	3618	3483	25.57
3	A	3133	3016	37.01
4	A	3128	3011	3.80
5	A	3112	2996	46.48
6	A	3109	2993	20.56
7	A	3044	2930	16.38
8	A	3040	2927	39.53
9	A	3025	2912	39.15
10	A	1798	1731	289.51
11	A	1653	1592	114.85
12	A	1529	1472	21.16
13	A	1513	1457	13.82
14	A	1504	1448	2.21
15	A	1497	1441	1.68
16	A	1428	1375	67.89
17	A	1414	1361	12.35
18	A	1401	1348	7.15
19	A	1337	1287	0.81
20	A	1292	1244	93.59
21	A	1201	1156	3.70
22	A	1142	1099	6.16
23	A	1132	1090	0.22
24	A	1068	1028	6.85
25	A	981	944	0.22
26	A	935	900	2.34
27	A	927	892	3.35
28	A	785	756	6.59
29	A	761	733	4.00
30	A	617	594	6.09
31	A	604	582	16.14
32	A	476	458	3.08
33	A	324	312	0.84
34	A	290	280	4.86
35	A	245	236	7.22
36	A	242	233	12.89
37	A	223	215	32.02
38	A	201	194	173.54
39	A	18	17	9.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.342	1.269	0.074
H2	0.835	2.197	-0.208
H3	1.386	1.229	1.165
H4	2.365	1.313	-0.311
C5	1.361	-1.250	-0.120
H6	0.866	-2.131	-0.538
H7	1.407	-1.374	0.964
C8	0.613	0.039	-0.467
H9	0.542	0.121	-1.560
N10	-1.818	0.071	-0.752
H11	-2.761	0.048	-0.400
H12	-1.673	0.180	-1.739
C13	-0.790	-0.019	0.136
O14	-0.974	-0.137	1.332
H15	2.383	-1.220	-0.509

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0941	1.0924	1.0939	2.5267	3.4875	2.7902	1.5297	2.1518	3.4794	4.3073	3.6840	2.4917	2.9873	2.7609
H2	1.0941		1.7677	1.7696	3.4877	4.3403	3.8018	2.1853	2.4946	3.4432	4.1938	3.5650	2.7691	3.3302	3.7636
H3	1.0924	1.7677		1.7739	2.7918	3.8023	2.6107	2.1627	3.0601	3.9086	4.5864	4.3467	2.7106	2.7309	3.1299
H4	1.0939	1.7696	1.7739		2.7593	3.7630	3.1254	2.1723	2.5110	4.3857	5.2805	4.4310	3.4535	3.9939	2.5414
C5	2.5267	3.4877	2.7918	2.7593		1.0940	1.0922	1.5298	2.1507	3.5002	4.3307	3.7252	2.4914	2.9665	1.0939
H6	3.4875	4.3403	3.8023	3.7630	1.0940		1.7673	2.1850	2.4938	3.4777	4.2329	3.6371	2.7667	3.2954	1.7698
H7	2.7902	3.8018	2.6107	3.1254	1.0922	1.7673		2.1622	3.0589	3.9286	4.6102	4.3835	2.7109	2.7083	1.7742
C8	1.5297	2.1853	2.1627	2.1723	1.5298	2.1850	2.1622		1.0982	2.4478	3.3746	2.6206	1.5278	2.4055	2.1725
H9	2.1518	2.4946	3.0601	2.5110	2.1507	2.4938	3.0589	1.0982		2.4944	3.5009	2.2230	2.1601	3.2752	2.5091
N10	3.4794	3.4432	3.9086	4.3857	3.5002	3.4777	3.9286	2.4478	2.4944		1.0068	1.0039	1.3613	2.2582	4.4017
H11	4.3073	4.1938	4.5864	5.2805	4.3307	4.2329	4.6102	3.3746	3.5009	1.0068		1.7304	2.0437	2.4956	5.2992
H12	3.6840	3.5650	4.3467	4.4310	3.7252	3.6371	4.3835	2.6206	2.2230	1.0039	1.7304		2.0825	3.1663	4.4644
C13	2.4917	2.7691	2.7106	3.4535	2.4914	2.7667	2.7109	1.5278	2.1601	1.3613	2.0437	2.0825		1.2164	3.4534
O14	2.9873	3.3302	2.7309	3.9939	2.9665	3.2954	2.7083	2.4055	3.2752	2.2582	2.4956	3.1663	1.2164		3.9792
H15	2.7609	3.7636	3.1299	2.5414	1.0939	1.7698	1.7742	2.1725	2.5091	4.4017	5.2992	4.4644	3.4534	3.9792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.351	C1	C8	H9	108.825
C1	C8	C13	109.165	H2	C1	H3	107.895
H2	C1	H4	107.958	H2	C1	C8	111.717
H3	C1	H4	108.458	H3	C1	C8	110.015
H4	C1	C8	110.689	C5	C8	H9	108.737
C5	C8	C13	109.141	H6	C5	H7	107.882
H6	C5	C8	111.692	H6	C5	H15	107.977
H7	C5	C8	109.985	H7	C5	H15	108.499
C8	C5	H15	110.698	C8	C13	N10	115.707
C8	C13	O14	122.052	H9	C8	C13	109.604
N10	C13	O14	122.241	H11	N10	H12	118.763
H11	N10	C13	118.547	H12	N10	C13	122.675

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

using model chemistry: B3PW91/6-311G*

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	-0.638
2	H	0.223
3	H	0.244
4	H	0.221
5	C	-0.638
6	H	0.224
7	H	0.245
8	C	-0.372
9	H	0.205
10	N	-0.808
11	H	0.362
12	H	0.359
13	C	0.540
14	O	-0.387
15	H	0.220

	x	y	z	Total
	-0.347	0.399	-3.618	3.656
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	172.393
(<r²>)^1/2	13.130

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

using model chemistry: B3PW91/6-311G*

States and conformations

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