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	hartrees
Energy at 0K	-287.856903
Energy at 298.15K	-287.866994
Nuclear repulsion energy	246.890528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3713	3602	30.69
2	A	3567	3460	28.62
3	A	3127	3033	17.79
4	A	3113	3020	15.42
5	A	3105	3012	33.84
6	A	3102	3009	24.41
7	A	3036	2945	20.39
8	A	3029	2938	28.88
9	A	3010	2919	36.49
10	A	1786	1733	259.65
11	A	1586	1538	115.19
12	A	1488	1443	14.85
13	A	1470	1426	8.74
14	A	1462	1418	1.19
15	A	1454	1410	0.65
16	A	1405	1363	46.39
17	A	1392	1350	4.98
18	A	1375	1334	7.75
19	A	1328	1288	11.99
20	A	1272	1234	78.43
21	A	1187	1151	3.65
22	A	1128	1094	1.24
23	A	1118	1084	5.16
24	A	1055	1023	4.36
25	A	971	942	0.47
26	A	928	900	1.63
27	A	916	889	2.95
28	A	771	748	3.54
29	A	755	732	4.59
30	A	611	593	5.97
31	A	590	572	9.81
32	A	474	459	3.18
33	A	331	321	0.52
34	A	296	287	4.81
35	A	246	238	5.45
36	A	237	230	0.27
37	A	214	208	0.13
38	A	80	77	175.97
39	A	25	25	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	-1.504	-1.026	-0.499
H2	-1.134	-1.725	-1.267
H3	-1.500	-1.557	0.465
H4	-2.540	-0.753	-0.753
C5	-1.201	1.253	0.579
H6	-0.574	2.159	0.634
H7	-1.259	0.819	1.590
C8	-0.621	0.222	-0.408
H9	-0.551	0.693	-1.406
N10	1.813	0.481	-0.576
H11	2.760	0.318	-0.253
H12	1.652	1.182	-1.286
C13	0.789	-0.164	0.060
O14	0.986	-0.972	0.956
H15	-2.215	1.557	0.273

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1019	1.1004	1.1017	2.5398	3.5059	2.7980	1.5318	2.1641	3.6444	4.4770	3.9307	2.5125	2.8842	2.7887
H2	1.1019		1.7777	1.7846	3.5047	4.3601	3.8273	2.1896	2.4912	3.7463	4.5130	4.0266	2.8104	3.1629	3.7832
H3	1.1004	1.7777		1.7923	2.8284	3.8326	2.6397	2.1675	3.0755	4.0266	4.7085	4.5273	2.7096	2.6002	3.2011
H4	1.1017	1.7846	1.7923		2.7562	3.7776	3.0992	2.1809	2.5443	4.5290	5.4305	4.6478	3.4776	3.9248	2.5493
C5	2.5398	3.5047	2.8284	2.7562		1.1023	1.1017	1.5404	2.1619	3.3191	4.1537	3.4088	2.4973	3.1427	1.1019
H6	3.5059	4.3601	3.8326	3.7776	1.1023		1.7822	2.1993	2.5118	3.1592	3.9104	3.0977	2.7534	3.5126	1.7841
H7	2.7980	3.8273	2.6397	3.0992	1.1017	1.7822		2.1800	3.0803	3.7742	4.4490	4.1076	2.7383	2.9407	1.7871
C8	1.5318	2.1896	2.1675	2.1809	1.5404	2.1993	2.1800		1.1056	2.4538	3.3855	2.6185	1.5346	2.4222	2.1877
H9	2.1641	2.4912	3.0755	2.5443	2.1619	2.5118	3.0803	1.1056		2.5149	3.5262	2.2597	2.1629	3.2729	2.5161
N10	3.6444	3.7463	4.0266	4.5290	3.3191	3.1592	3.7742	2.4538	2.5149		1.0135	1.0105	1.3677	2.2681	4.2551
H11	4.4770	4.5130	4.7085	5.4305	4.1537	3.9104	4.4490	3.3855	3.5262	1.0135		1.7445	2.0527	2.5040	5.1535
H12	3.9307	4.0266	4.5273	4.6478	3.4088	3.0977	4.1076	2.6185	2.2597	1.0105	1.7445		2.0898	3.1795	4.1856
C13	2.5125	2.8104	2.7096	3.4776	2.4973	2.7534	2.7383	1.5346	2.1629	1.3677	2.0527	2.0898		1.2226	3.4684
O14	2.8842	3.1629	2.6002	3.9248	3.1427	3.5126	2.9407	2.4222	3.2729	2.2681	2.5040	3.1795	1.2226		4.1363
H15	2.7887	3.7832	3.2011	2.5493	1.1019	1.7841	1.7871	2.1877	2.5161	4.2551	5.1535	4.1856	3.4684	4.1363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.525	C1	C8	H9	109.216
C1	C8	C13	110.045	H2	C1	H3	107.650
H2	C1	H4	108.167	H2	C1	C8	111.440
H3	C1	H4	108.957	H3	C1	C8	109.779
H4	C1	C8	110.757	C5	C8	H9	108.465
C5	C8	C13	108.609	H6	C5	H7	107.921
H6	C5	C8	111.581	H6	C5	H15	108.080
H7	C5	C8	110.084	H7	C5	H15	108.379
C8	C5	H15	110.687	C8	C13	N10	115.326
C8	C13	O14	122.519	H9	C8	C13	108.930
N10	C13	O14	122.141	H11	N10	H12	119.070
H11	N10	C13	118.341	H12	N10	C13	122.266

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

using model chemistry: B3LYP/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	0.039
2	H	0.015
3	H	0.037
4	H	0.006
5	C	0.031
6	H	0.009
7	H	0.034
8	C	-0.132
9	H	-0.024
10	N	-0.072
11	H	0.096
12	H	0.090
13	C	0.118
14	O	-0.265
15	H	0.018

	x	y	z	Total
	0.333	2.535	-2.412	3.515
CHELPG
AIM
ESP

	x	y	z
x	8.929	0.304	-0.211
y	0.304	7.732	-0.599
z	-0.211	-0.599	7.242

<r²>	173.729
(<r²>)^1/2	13.181

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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