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	hartrees
Energy at 0K	-287.955068
Energy at 298.15K	-287.965471
HF Energy	-287.955068
Nuclear repulsion energy	247.446141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3722	3593	35.22
2	A	3585	3461	34.34
3	A	3117	3009	31.73
4	A	3113	3005	2.65
5	A	3097	2990	42.06
6	A	3095	2988	17.51
7	A	3037	2932	15.35
8	A	3033	2929	33.36
9	A	3018	2914	33.04
10	A	1761	1701	296.03
11	A	1622	1566	106.07
12	A	1519	1466	16.01
13	A	1506	1454	10.99
14	A	1497	1445	2.39
15	A	1491	1439	1.03
16	A	1427	1377	32.08
17	A	1403	1355	32.89
18	A	1402	1354	4.57
19	A	1338	1292	1.36
20	A	1280	1236	119.77
21	A	1199	1158	5.79
22	A	1137	1098	6.32
23	A	1120	1081	0.63
24	A	1061	1024	7.77
25	A	976	942	0.11
26	A	942	909	1.52
27	A	912	881	2.58
28	A	773	746	4.44
29	A	753	727	3.37
30	A	620	598	5.33
31	A	594	573	12.70
32	A	479	463	2.74
33	A	328	316	1.10
34	A	290	280	5.40
35	A	256	247	135.72
36	A	243	235	4.45
37	A	239	230	54.59
38	A	215	208	7.20
39	A	33	32	7.55

Atom	x (Å)	y (Å)	z (Å)
C1	-1.360	-1.269	-0.022
H2	-0.847	-2.172	-0.361
H3	-1.428	-1.306	1.066
H4	-2.371	-1.278	-0.435
C5	-1.360	1.269	-0.022
H6	-0.847	2.172	-0.360
H7	-1.428	1.306	1.066
C8	-0.615	0.000	-0.461
H9	-0.542	0.000	-1.554
N10	1.820	0.000	-0.763
H11	2.766	0.000	-0.417
H12	1.666	0.000	-1.756
C13	0.795	-0.000	0.140
O14	0.988	-0.000	1.340
H15	-2.371	1.278	-0.435

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0923	1.0904	1.0920	2.5378	3.4954	2.7958	1.5353	2.1506	3.5027	4.3349	3.7113	2.5058	2.9966	2.7714
H2	1.0923		1.7669	1.7677	3.4954	4.3443	3.8036	2.1868	2.4971	3.4632	4.2167	3.6033	2.7686	3.3138	3.7724
H3	1.0904	1.7669		1.7724	2.7958	3.8036	2.6115	2.1673	3.0581	3.9493	4.6365	4.3864	2.7393	2.7602	3.1334
H4	1.0920	1.7677	1.7724		2.7714	3.7724	3.1333	2.1715	2.4956	4.3933	5.2936	4.4356	3.4618	4.0085	2.5566
C5	2.5378	3.4954	2.7958	2.7714		1.0923	1.0904	1.5353	2.1506	3.5027	4.3349	3.7112	2.5058	2.9966	1.0920
H6	3.4954	4.3443	3.8036	3.7724	1.0923		1.7669	2.1868	2.4971	3.4631	4.2166	3.6032	2.7686	3.3137	1.7677
H7	2.7958	3.8036	2.6115	3.1333	1.0904	1.7669		2.1673	3.0581	3.9493	4.6365	4.3863	2.7393	2.7602	1.7724
C8	1.5353	2.1868	2.1673	2.1715	1.5353	2.1868	2.1673		1.0950	2.4538	3.3821	2.6233	1.5330	2.4121	2.1715
H9	2.1506	2.4971	3.0581	2.4956	2.1506	2.4971	3.0581	1.0950		2.4911	3.4985	2.2179	2.1578	3.2741	2.4956
N10	3.5027	3.4632	3.9493	4.3933	3.5027	3.4631	3.9493	2.4538	2.4911		1.0077	1.0045	1.3656	2.2618	4.3932
H11	4.3349	4.2167	4.6365	5.2936	4.3349	4.2166	4.6365	3.3821	3.4985	1.0077		1.7324	2.0486	2.5003	5.2936
H12	3.7113	3.6033	4.3864	4.4356	3.7112	3.6032	4.3863	2.6233	2.2179	1.0045	1.7324		2.0860	3.1695	4.4356
C13	2.5058	2.7686	2.7393	3.4618	2.5058	2.7686	2.7393	1.5330	2.1578	1.3656	2.0486	2.0860		1.2163	3.4618
O14	2.9966	3.3138	2.7602	4.0085	2.9966	3.3137	2.7602	2.4121	3.2741	2.2618	2.5003	3.1695	1.2163		4.0085
H15	2.7714	3.7724	3.1334	2.5566	1.0920	1.7677	1.7724	2.1715	2.4956	4.3932	5.2936	4.4356	3.4618	4.0085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.476	C1	C8	H9	108.536
C1	C8	C13	109.501	H2	C1	H3	108.096
H2	C1	H4	108.054	H2	C1	C8	111.547
H3	C1	H4	108.611	H3	C1	C8	110.104
H4	C1	C8	110.340	C5	C8	H9	108.535
C5	C8	C13	109.500	H6	C5	H7	108.096
H6	C5	C8	111.547	H6	C5	H15	108.054
H7	C5	C8	110.103	H7	C5	H15	108.611
C8	C5	H15	110.340	C8	C13	N10	115.552
C8	C13	O14	122.228	H9	C8	C13	109.254
N10	C13	O14	122.221	H11	N10	H12	118.845
H11	N10	C13	118.574	H12	N10	C13	122.581

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

using model chemistry: B3LYP/TZVP

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	-0.367
2	H	0.116
3	H	0.144
4	H	0.120
5	C	-0.366
6	H	0.116
7	H	0.144
8	C	-0.117
9	H	0.106
10	N	-0.387
11	H	0.244
12	H	0.239
13	C	0.238
14	O	-0.349
15	H	0.120

	x	y	z	Total
	0.122	0.000	-3.732	3.734
CHELPG
AIM
ESP

	x	y	z
x	9.604	0.000	-0.369
y	0.000	7.793	0.000
z	-0.369	0.000	8.690

<r²>	173.823
(<r²>)^1/2	13.184

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

using model chemistry: B3LYP/TZVP

States and conformations

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