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	hartrees
Energy at 0K	-287.878228
Energy at 298.15K	-287.888468
HF Energy	-287.878228
Nuclear repulsion energy	246.762031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3727	3587	32.43
2	A	3582	3448	27.58
3	A	3135	3017	36.09
4	A	3132	3014	3.79
5	A	3115	2998	48.00
6	A	3113	2996	20.15
7	A	3044	2930	22.29
8	A	3041	2927	42.61
9	A	3024	2910	41.13
10	A	1754	1688	311.92
11	A	1627	1566	101.39
12	A	1533	1476	13.15
13	A	1519	1462	10.28
14	A	1511	1454	1.73
15	A	1505	1448	1.21
16	A	1429	1375	28.56
17	A	1405	1353	2.86
18	A	1405	1352	41.66
19	A	1332	1282	1.95
20	A	1276	1228	120.49
21	A	1197	1152	3.99
22	A	1129	1087	5.47
23	A	1119	1077	0.56
24	A	1053	1013	6.93
25	A	974	937	0.18
26	A	931	896	1.40
27	A	915	881	2.52
28	A	760	731	2.18
29	A	751	723	2.46
30	A	603	581	5.36
31	A	596	574	13.04
32	A	464	447	2.91
33	A	317	305	0.90
34	A	279	269	3.85
35	A	237	228	19.50
36	A	234	225	5.82
37	A	218	210	63.63
38	A	202	195	121.27
39	A	35	33	7.20

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-1.270	-0.023
H2	-0.848	-2.176	-0.362
H3	-1.425	-1.301	1.069
H4	-2.376	-1.277	-0.434
C5	-1.361	1.270	-0.023
H6	-0.848	2.176	-0.361
H7	-1.425	1.301	1.069
C8	-0.616	0.000	-0.469
H9	-0.544	0.000	-1.566
N10	1.827	-0.000	-0.763
H11	2.775	0.000	-0.414
H12	1.678	0.000	-1.761
C13	0.794	0.000	0.138
O14	0.984	-0.000	1.350
H15	-2.376	1.277	-0.434

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0952	1.0938	1.0951	2.5397	3.5006	2.7937	1.5389	2.1592	3.5105	4.3447	3.7245	2.5069	2.9990	2.7727
H2	1.0952		1.7732	1.7741	3.5006	4.3527	3.8039	2.1914	2.5060	3.4718	4.2274	3.6165	2.7721	3.3198	3.7772
H3	1.0938	1.7732		1.7787	2.7937	3.8039	2.6020	2.1711	3.0677	3.9524	4.6402	4.3964	2.7355	2.7518	3.1323
H4	1.0951	1.7741	1.7787		2.7727	3.7772	3.1323	2.1754	2.5040	4.4049	5.3075	4.4530	3.4656	4.0126	2.5548
C5	2.5397	3.5006	2.7937	2.7727		1.0952	1.0938	1.5389	2.1592	3.5105	4.3446	3.7244	2.5069	2.9991	1.0951
H6	3.5006	4.3527	3.8039	3.7772	1.0952		1.7732	2.1914	2.5060	3.4719	4.2273	3.6162	2.7720	3.3198	1.7741
H7	2.7937	3.8039	2.6020	3.1323	1.0938	1.7732		2.1711	3.0677	3.9525	4.6402	4.3963	2.7355	2.7519	1.7787
C8	1.5389	2.1914	2.1711	2.1754	1.5389	2.1914	2.1711		1.0988	2.4599	3.3914	2.6323	1.5353	2.4222	2.1754
H9	2.1592	2.5060	3.0677	2.5040	2.1592	2.5060	3.0677	1.0988		2.5028	3.5136	2.2306	2.1668	3.2916	2.5040
N10	3.5105	3.4718	3.9524	4.4049	3.5105	3.4719	3.9525	2.4599	2.5028		1.0111	1.0085	1.3706	2.2749	4.4049
H11	4.3447	4.2274	4.6402	5.3075	4.3446	4.2273	4.6402	3.3914	3.5136	1.0111		1.7375	2.0565	2.5137	5.3074
H12	3.7245	3.6165	4.3964	4.4530	3.7244	3.6162	4.3963	2.6323	2.2306	1.0085	1.7375		2.0947	3.1870	4.4529
C13	2.5069	2.7721	2.7355	3.4656	2.5069	2.7720	2.7355	1.5353	2.1668	1.3706	2.0565	2.0947		1.2261	3.4656
O14	2.9990	3.3198	2.7518	4.0126	2.9991	3.3198	2.7519	2.4222	3.2916	2.2749	2.5137	3.1870	1.2261		4.0127
H15	2.7727	3.7772	3.1323	2.5548	1.0951	1.7741	1.7787	2.1754	2.5040	4.4049	5.3074	4.4529	3.4656	4.0127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.217	C1	C8	H9	108.744
C1	C8	C13	109.269	H2	C1	H3	108.206
H2	C1	H4	108.182	H2	C1	C8	111.487
H3	C1	H4	108.705	H3	C1	C8	109.965
H4	C1	C8	110.219	C5	C8	H9	108.745
C5	C8	C13	109.268	H6	C5	H7	108.205
H6	C5	C8	111.488	H6	C5	H15	108.182
H7	C5	C8	109.965	H7	C5	H15	108.705
C8	C5	H15	110.219	C8	C13	N10	115.554
C8	C13	O14	122.207	H9	C8	C13	109.577
N10	C13	O14	122.239	H11	N10	H12	118.708
H11	N10	C13	118.633	H12	N10	C13	122.659

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

using model chemistry: TPSSh/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	-0.612
2	H	0.156
3	H	0.184
4	H	0.151
5	C	-0.612
6	H	0.156
7	H	0.184
8	C	0.236
9	H	0.119
10	N	-0.556
11	H	0.328
12	H	0.303
13	C	0.307
14	O	-0.495
15	H	0.151

	x	y	z	Total
	-0.090	-0.001	-3.779	3.780
CHELPG
AIM
ESP

	x	y	z
x	9.839	0.000	0.342
y	0.000	7.990	0.000
z	0.342	0.000	8.905

<r²>	174.309
(<r²>)^1/2	13.203

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

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

States and conformations

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