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	hartrees
Energy at 0K	-286.157141
Energy at 298.15K	-286.167716
Nuclear repulsion energy	249.569076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3970	3613	50.31
2	A	3827	3483	53.50
3	A	3249	2957	50.49
4	A	3242	2950	2.37
5	A	3217	2928	67.51
6	A	3213	2924	21.97
7	A	3168	2883	22.22
8	A	3160	2875	47.94
9	A	3155	2871	30.20
10	A	1929	1755	376.35
11	A	1768	1609	128.01
12	A	1633	1486	16.89
13	A	1618	1473	9.02
14	A	1609	1465	1.65
15	A	1604	1459	0.68
16	A	1548	1409	68.40
17	A	1542	1404	3.30
18	A	1524	1387	2.04
19	A	1457	1326	0.64
20	A	1385	1261	148.64
21	A	1297	1180	8.23
22	A	1234	1123	9.28
23	A	1210	1101	0.02
24	A	1156	1052	10.69
25	A	1045	951	0.24
26	A	1009	919	1.39
27	A	977	889	0.88
28	A	854	778	10.40
29	A	814	741	1.31
30	A	668	608	11.23
31	A	626	570	12.36
32	A	512	466	4.13
33	A	345	314	1.13
34	A	309	281	6.69
35	A	261	238	3.88
36	A	260	237	0.01
37	A	228	207	0.07
38	A	149	136	207.14
39	A	19	17	8.73

Atom	x (Å)	y (Å)	z (Å)
C1	-1.351	-1.265	-0.023
H2	-0.834	-2.159	-0.354
H3	-1.431	-1.303	1.055
H4	-2.349	-1.279	-0.446
C5	-1.350	1.266	-0.019
H6	-0.833	2.160	-0.347
H7	-1.430	1.300	1.059
C8	-0.611	0.001	-0.458
H9	-0.535	0.002	-1.541
N10	1.812	0.002	-0.747
H11	2.739	0.001	-0.397
H12	1.665	0.003	-1.723
C13	0.790	-0.000	0.137
O14	0.975	-0.003	1.318
H15	-2.348	1.281	-0.442

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0842	1.0815	1.0836	2.5309	3.4795	2.7852	1.5296	2.1393	3.4829	4.2979	3.6867	2.4913	2.9670	2.7666
H2	1.0842		1.7532	1.7540	3.4795	4.3193	3.7837	2.1738	2.4840	3.4385	4.1757	3.5768	2.7454	3.2739	3.7597
H3	1.0815	1.7532		1.7591	2.7852	3.7837	2.6029	2.1589	3.0405	3.9320	4.6041	4.3593	2.7326	2.7474	3.1238
H4	1.0836	1.7540	1.7591		2.7666	3.7597	3.1239	2.1583	2.4763	4.3634	5.2466	4.4025	3.4384	3.9733	2.5602
C5	2.5309	3.4795	2.7852	2.7666		1.0842	1.0815	1.5296	2.1393	3.4821	4.2973	3.6859	2.4912	2.9673	1.0836
H6	3.4795	4.3193	3.7837	3.7597	1.0842		1.7532	2.1738	2.4840	3.4373	4.1747	3.5755	2.7453	3.2746	1.7540
H7	2.7852	3.7837	2.6029	3.1239	1.0815	1.7532		2.1589	3.0405	3.9313	4.6034	4.3586	2.7324	2.7477	1.7591
C8	1.5296	2.1738	2.1589	2.1583	1.5296	2.1738	2.1589		1.0855	2.4396	3.3506	2.6033	1.5216	2.3812	2.1583
H9	2.1393	2.4840	3.0405	2.4763	2.1393	2.4840	3.0405	1.0855		2.4773	3.4679	2.2068	2.1379	3.2332	2.4764
N10	3.4829	3.4385	3.9320	4.3634	3.4821	3.4373	3.9313	2.4396	2.4773		0.9911	0.9875	1.3516	2.2277	4.3629
H11	4.2979	4.1757	4.6041	5.2466	4.2973	4.1747	4.6034	3.3506	3.4679	0.9911		1.7065	2.0218	2.4606	5.2462
H12	3.6867	3.5768	4.3593	4.4025	3.6859	3.5755	4.3586	2.6033	2.2068	0.9875	1.7065		2.0561	3.1182	4.4019
C13	2.4913	2.7454	2.7326	3.4384	2.4912	2.7453	2.7324	1.5216	2.1379	1.3516	2.0218	2.0561		1.1950	3.4383
O14	2.9670	3.2739	2.7474	3.9733	2.9673	3.2746	2.7477	2.3812	3.2332	2.2277	2.4606	3.1182	1.1950		3.9735
H15	2.7666	3.7597	3.1238	2.5602	1.0836	1.7540	1.7591	2.1583	2.4764	4.3629	5.2462	4.4019	3.4383	3.9735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.648	C1	C8	H9	108.596
C1	C8	C13	109.468	H2	C1	H3	108.101
H2	C1	H4	108.020	H2	C1	C8	111.404
H3	C1	H4	108.671	H3	C1	C8	110.365
H4	C1	C8	110.191	C5	C8	H9	108.595
C5	C8	C13	109.460	H6	C5	H7	108.103
H6	C5	C8	111.404	H6	C5	H15	108.020
H7	C5	C8	110.365	H7	C5	H15	108.669
C8	C5	H15	110.193	C8	C13	N10	116.102
C8	C13	O14	121.988	H9	C8	C13	109.027
N10	C13	O14	121.911	H11	N10	H12	119.203
H11	N10	C13	118.514	H12	N10	C13	122.282

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

using model chemistry: HF/cc-pVTZ

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	AIM	ESP
1	C	-0.296	0.167	-0.445
2	H	0.098	-0.056	0.097
3	H	0.120	-0.018	0.128
4	H	0.097	-0.056	0.120
5	C	-0.296	0.167	-0.444
6	H	0.098	-0.056	0.097
7	H	0.120	-0.018	0.128
8	C	-0.111	0.126	0.214
9	H	0.109	-0.087	0.000
10	N	-0.314	-1.455	-1.097
11	H	0.186	0.460	0.462
12	H	0.195	0.447	0.418
13	C	0.333	1.827	0.842
14	O	-0.436	-1.407	-0.640
15	H	0.097	-0.056	0.120

	x	y	z	Total
	-0.014	0.007	-3.828	3.828
CHELPG
AIM	1.228	-0.002	1.033	1.605
ESP	-0.042	0.007	-3.822	3.822

	x	y	z
x	8.613	0.001	-0.226
y	0.001	7.333	-0.002
z	-0.226	-0.002	7.904

<r²>	171.433
(<r²>)^1/2	13.093

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

using model chemistry: HF/cc-pVTZ

States and conformations

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