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	hartrees
Energy at 0K	-285.968832
Energy at 298.15K	-285.979850
Nuclear repulsion energy	247.235396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4004	3606	52.82
2	A	3847	3464	62.64
3	A	3315	2985	63.13
4	A	3308	2979	4.22
5	A	3283	2956	82.63
6	A	3278	2951	28.08
7	A	3225	2904	40.56
8	A	3202	2883	25.47
9	A	3201	2882	65.33
10	A	1835	1652	396.53
11	A	1802	1623	86.33
12	A	1662	1497	20.49
13	A	1651	1486	15.37
14	A	1644	1480	3.60
15	A	1637	1474	2.73
16	A	1577	1420	36.53
17	A	1561	1406	46.13
18	A	1557	1402	6.21
19	A	1471	1325	0.00
20	A	1415	1274	178.11
21	A	1320	1189	10.64
22	A	1245	1121	23.44
23	A	1231	1108	0.00
24	A	1192	1073	7.86
25	A	1068	962	0.41
26	A	1042	938	5.17
27	A	991	892	0.85
28	A	850	765	75.19
29	A	820	738	0.29
30	A	672	605	221.88
31	A	663	597	10.53
32	A	557	502	121.04
33	A	512	461	4.51
34	A	349	314	0.90
35	A	308	278	9.87
36	A	258	233	2.35
37	A	256	231	4.54
38	A	228	205	0.70
39	A	21	19	10.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.362	-1.272	-0.023
H2	-0.851	-2.170	-0.353
H3	-1.438	-1.304	1.056
H4	-2.362	-1.281	-0.442
C5	-1.362	1.272	-0.022
H6	-0.851	2.170	-0.351
H7	-1.438	1.304	1.057
C8	-0.614	0.000	-0.466
H9	-0.538	0.001	-1.548
N10	1.831	0.000	-0.757
H11	2.759	0.000	-0.400
H12	1.693	0.001	-1.739
C13	0.790	-0.000	0.127
O14	0.984	-0.001	1.345
H15	-2.362	1.281	-0.441

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0847	1.0819	1.0841	2.5445	3.4958	2.7940	1.5412	2.1513	3.5148	4.3300	3.7283	2.5043	2.9987	2.7738
H2	1.0847		1.7546	1.7558	3.4958	4.3402	3.7944	2.1859	2.4978	3.4732	4.2124	3.6199	2.7620	3.3096	3.7685
H3	1.0819	1.7546		1.7604	2.7940	3.7945	2.6080	2.1673	3.0491	3.9589	4.6301	4.3951	2.7436	2.7658	3.1273
H4	1.0841	1.7558	1.7604		2.7738	3.7685	3.1273	2.1670	2.4889	4.3953	5.2793	4.4459	3.4491	4.0035	2.5618
C5	2.5445	3.4958	2.7940	2.7738		1.0847	1.0819	1.5412	2.1513	3.5146	4.3299	3.7281	2.5043	2.9988	1.0841
H6	3.4958	4.3402	3.7945	3.7685	1.0847		1.7547	2.1859	2.4978	3.4729	4.2121	3.6195	2.7620	3.3097	1.7558
H7	2.7940	3.7944	2.6080	3.1273	1.0819	1.7547		2.1673	3.0491	3.9587	4.6300	4.3949	2.7436	2.7659	1.7604
C8	1.5412	2.1859	2.1673	2.1670	1.5412	2.1859	2.1673		1.0849	2.4621	3.3742	2.6349	1.5238	2.4153	2.1670
H9	2.1513	2.4978	3.0491	2.4889	2.1513	2.4978	3.0491	1.0849		2.4968	3.4911	2.2383	2.1368	3.2687	2.4889
N10	3.5148	3.4732	3.9589	4.3953	3.5146	3.4729	3.9587	2.4621	2.4968		0.9950	0.9917	1.3652	2.2656	4.3952
H11	4.3300	4.2124	4.6301	5.2793	4.3299	4.2121	4.6300	3.3742	3.4911	0.9950		1.7121	2.0387	2.4887	5.2792
H12	3.7283	3.6199	4.3951	4.4459	3.7281	3.6195	4.3949	2.6349	2.2383	0.9917	1.7121		2.0725	3.1640	4.4457
C13	2.5043	2.7620	2.7436	3.4491	2.5043	2.7620	2.7436	1.5238	2.1368	1.3652	2.0387	2.0725		1.2337	3.4491
O14	2.9987	3.3096	2.7658	4.0035	2.9988	3.3097	2.7659	2.4153	3.2687	2.2656	2.4887	3.1640	1.2337		4.0035
H15	2.7738	3.7685	3.1273	2.5618	1.0841	1.7558	1.7604	2.1670	2.4889	4.3952	5.2792	4.4457	3.4491	4.0035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.280	C1	C8	H9	108.767
C1	C8	C13	109.583	H2	C1	H3	108.165
H2	C1	H4	108.107	H2	C1	C8	111.518
H3	C1	H4	108.726	H3	C1	C8	110.204
H4	C1	C8	110.042	C5	C8	H9	108.766
C5	C8	C13	109.581	H6	C5	H7	108.165
H6	C5	C8	111.518	H6	C5	H15	108.107
H7	C5	C8	110.203	H7	C5	H15	108.726
C8	C5	H15	110.042	C8	C13	N10	116.804
C8	C13	O14	121.954	H9	C8	C13	108.819
N10	C13	O14	121.243	H11	N10	H12	119.029
H11	N10	C13	118.648	H12	N10	C13	122.323

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

using model chemistry: HF/SDD

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	-0.566
2	H	0.180
3	H	0.214
4	H	0.179
5	C	-0.566
6	H	0.180
7	H	0.214
8	C	-0.137
9	H	0.162
10	N	-0.833
11	H	0.385
12	H	0.367
13	C	0.496
14	O	-0.452
15	H	0.179

	x	y	z	Total
	-0.301	0.002	-4.454	4.464
CHELPG
AIM
ESP

	x	y	z
x	7.426	0.000	-0.215
y	0.000	6.162	-0.001
z	-0.215	-0.001	7.368

<r²>	174.408
(<r²>)^1/2	13.206

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

using model chemistry: HF/SDD

States and conformations

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