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	hartrees
Energy at 0K	-286.318800
Energy at 298.15K	-286.328978
Nuclear repulsion energy	249.141675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3591	38.36
2	A	3479	3441	28.55
3	A	3074	3041	7.75
4	A	3070	3036	11.93
5	A	3067	3033	10.47
6	A	3065	3031	12.93
7	A	2975	2943	19.05
8	A	2970	2937	18.09
9	A	2951	2919	32.91
10	A	1792	1772	225.04
11	A	1513	1496	181.43
12	A	1420	1404	23.29
13	A	1395	1380	12.33
14	A	1386	1371	1.89
15	A	1374	1359	1.94
16	A	1365	1350	21.85
17	A	1313	1299	21.24
18	A	1302	1287	14.12
19	A	1261	1247	1.08
20	A	1225	1211	21.74
21	A	1148	1136	0.61
22	A	1119	1106	0.05
23	A	1076	1064	4.68
24	A	1010	999	9.20
25	A	942	931	0.61
26	A	921	911	4.89
27	A	879	870	3.18
28	A	758	750	3.50
29	A	755	747	6.12
30	A	595	588	6.47
31	A	592	585	8.22
32	A	456	451	2.94
33	A	320	317	0.45
34	A	294	291	4.55
35	A	246	243	7.99
36	A	234	232	16.04
37	A	222	220	115.98
38	A	208	205	30.63
39	A	15	15	6.58

Atom	x (Å)	y (Å)	z (Å)
C1	-1.475	-0.996	-0.517
H2	-1.147	-1.673	-1.333
H3	-1.380	-1.554	0.438
H4	-2.539	-0.733	-0.684
C5	-1.176	1.222	0.587
H6	-0.556	2.139	0.668
H7	-1.202	0.740	1.588
C8	-0.611	0.240	-0.424
H9	-0.533	0.737	-1.419
N10	1.802	0.474	-0.557
H11	2.752	0.270	-0.239
H12	1.650	1.130	-1.323
C13	0.772	-0.160	0.054
O14	0.937	-0.967	0.960
H15	-2.210	1.522	0.318

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1091	1.1105	1.1089	2.4960	3.4752	2.7418	1.5110	2.1691	3.5916	4.4214	3.8643	2.4646	2.8280	2.7525
H2	1.1091		1.7899	1.8000	3.4739	4.3451	3.7882	2.1846	2.4885	3.7292	4.4919	3.9596	2.8099	3.1775	3.7492
H3	1.1105	1.7899		1.8105	2.7879	3.7909	2.5721	2.1340	3.0686	3.9021	4.5672	4.4141	2.5927	2.4462	3.1883
H4	1.1089	1.8000	1.8105		2.7017	3.7431	3.0200	2.1756	2.5939	4.5076	5.4040	4.6289	3.4406	3.8522	2.4894
C5	2.4960	3.4739	2.7879	2.7017		1.1097	1.1107	1.5186	2.1619	3.2770	4.1257	3.4123	2.4474	3.0652	1.1095
H6	3.4752	4.3451	3.7909	3.7431	1.1097		1.7945	2.1909	2.5138	3.1357	3.9062	3.1379	2.7248	3.4581	1.7998
H7	2.7418	3.7882	2.5721	3.0200	1.1107	1.7945		2.1549	3.0798	3.7001	4.3805	4.0930	2.6562	2.8071	1.8002
C8	1.5110	2.1846	2.1340	2.1756	1.5186	2.1909	2.1549		1.1150	2.4279	3.3684	2.5906	1.5170	2.4012	2.1791
H9	2.1691	2.4885	3.0686	2.5939	2.1619	2.5138	3.0798	1.1150		2.5025	3.5214	2.2196	2.1625	3.2739	2.5384
N10	3.5916	3.7292	3.9021	4.5076	3.2770	3.1357	3.7001	2.4279	2.5025		1.0225	1.0199	1.3549	2.2633	4.2377
H11	4.4214	4.4919	4.5672	5.4040	4.1257	3.9062	4.3805	3.3684	3.5214	1.0225		1.7689	2.0474	2.5022	5.1477
H12	3.8643	3.9596	4.4141	4.6289	3.4123	3.1379	4.0930	2.5906	2.2196	1.0199	1.7689		2.0809	3.1800	4.2121
C13	2.4646	2.8099	2.5927	3.4406	2.4474	2.7248	2.6562	1.5170	2.1625	1.3549	2.0474	2.0809		1.2238	3.4335
O14	2.8280	3.1775	2.4462	3.8522	3.0652	3.4581	2.8071	2.4012	3.2739	2.2633	2.5022	3.1800	1.2238		4.0629
H15	2.7525	3.7492	3.1883	2.4894	1.1095	1.7998	1.8002	2.1791	2.5384	4.2377	5.1477	4.2121	3.4335	4.0629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.945	C1	C8	H9	110.476
C1	C8	C13	108.962	H2	C1	H3	107.497
H2	C1	H4	108.491	H2	C1	C8	112.065
H3	C1	H4	109.327	H3	C1	C8	108.007
H4	C1	C8	111.353	C5	C8	H9	109.390
C5	C8	C13	107.458	H6	C5	H7	107.834
H6	C5	C8	111.994	H6	C5	H15	108.386
H7	C5	C8	109.096	H7	C5	H15	108.351
C8	C5	H15	111.062	C8	C13	N10	115.316
C8	C13	O14	121.991	H9	C8	C13	109.550
N10	C13	O14	122.651	H11	N10	H12	120.017
H11	N10	C13	118.229	H12	N10	C13	121.749

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

using model chemistry: LSDA/cc-pVDZ

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	-0.101
2	H	0.061
3	H	0.079
4	H	0.051
5	C	-0.102
6	H	0.056
7	H	0.078
8	C	-0.195
9	H	0.019
10	N	-0.092
11	H	0.129
12	H	0.123
13	C	0.034
14	O	-0.204
15	H	0.064

	x	y	z	Total
	0.648	2.415	-2.474	3.517
CHELPG
AIM
ESP

	x	y	z
x	9.361	0.359	-0.268
y	0.359	7.926	-0.586
z	-0.268	-0.586	7.482

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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