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	hartrees
Energy at 0K	-53.852961
Energy at 298.15K	-53.863577
Nuclear repulsion energy	136.480817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3716	3622	15.74
2	A	3556	3465	19.73
3	A	3100	3021	54.00
4	A	3093	3014	5.32
5	A	3076	2998	66.27
6	A	3072	2993	29.14
7	A	2995	2919	25.37
8	A	2988	2912	50.28
9	A	2983	2907	42.71
10	A	1668	1625	252.94
11	A	1632	1590	82.04
12	A	1534	1495	15.76
13	A	1521	1482	14.49
14	A	1515	1476	2.22
15	A	1508	1469	2.18
16	A	1436	1400	28.12
17	A	1417	1381	7.22
18	A	1402	1366	42.72
19	A	1332	1298	1.45
20	A	1286	1254	127.77
21	A	1202	1171	7.04
22	A	1128	1099	14.10
23	A	1122	1094	0.56
24	A	1071	1043	6.21
25	A	979	954	0.11
26	A	945	921	2.97
27	A	912	888	1.94
28	A	749	730	29.64
29	A	747	728	1.55
30	A	607	591	109.14
31	A	600	584	5.77
32	A	504	492	164.23
33	A	466	454	3.19
34	A	322	313	0.89
35	A	282	275	6.12
36	A	235	229	6.05
37	A	232	226	1.10
38	A	212	207	0.44
39	A	32	31	9.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.364	-1.284	-0.040
H2	-0.851	-2.191	-0.386
H3	-1.434	-1.327	1.053
H4	-2.379	-1.282	-0.458
C5	-1.363	1.285	-0.028
H6	-0.848	2.195	-0.365
H7	-1.432	1.318	1.066
C8	-0.603	0.002	-0.473
H9	-0.508	0.008	-1.571
N10	1.878	0.004	-0.734
H11	2.817	0.002	-0.355
H12	1.749	0.010	-1.735
C13	0.809	-0.001	0.152
O14	0.994	-0.009	1.404
H15	-2.378	1.289	-0.447

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0983	1.0962	1.0981	2.5693	3.5320	2.8283	1.5560	2.1781	3.5566	4.3854	3.7732	2.5305	3.0444	2.7954
H2	1.0983		1.7767	1.7797	3.5320	4.3861	3.8421	2.2089	2.5207	3.5190	4.2732	3.6635	2.7996	3.3713	3.8010
H3	1.0962	1.7767		1.7837	2.8285	3.8422	2.6460	2.1881	3.0860	3.9912	4.6706	4.4372	2.7568	2.7843	3.1605
H4	1.0981	1.7797	1.7837		2.7952	3.8010	3.1598	2.1923	2.5304	4.4557	5.3534	4.5101	3.4897	4.0579	2.5718
C5	2.5693	3.5320	2.8285	2.7952		1.0983	1.0962	1.5561	2.1781	3.5551	4.3840	3.7710	2.5305	3.0456	1.0981
H6	3.5320	4.3861	3.8422	3.8010	1.0983		1.7767	2.2090	2.5209	3.5162	4.2704	3.6596	2.7992	3.3728	1.7797
H7	2.8283	3.8421	2.6460	3.1598	1.0962	1.7767		2.1881	3.0861	3.9901	4.6696	4.4356	2.7570	2.7860	1.7837
C8	1.5560	2.2089	2.1881	2.1923	1.5561	2.2090	2.1881		1.1017	2.4944	3.4217	2.6689	1.5440	2.4641	2.1923
H9	2.1781	2.5207	3.0860	2.5304	2.1781	2.5209	3.0861	1.1017		2.5283	3.5399	2.2627	2.1681	3.3319	2.5302
N10	3.5566	3.5190	3.9912	4.4557	3.5551	3.5162	3.9901	2.4944	2.5283		1.0124	1.0096	1.3877	2.3127	4.4544
H11	4.3854	4.2732	4.6706	5.3534	4.3840	4.2704	4.6696	3.4217	3.5399	1.0124		1.7449	2.0706	2.5329	5.3521
H12	3.7732	3.6635	4.4372	4.5101	3.7710	3.6596	4.4356	2.6689	2.2627	1.0096	1.7449		2.1076	3.2280	4.5080
C13	2.5305	2.7996	2.7568	3.4897	2.5305	2.7992	2.7570	1.5440	2.1681	1.3877	2.0706	2.1076		1.2656	3.4897
O14	3.0444	3.3713	2.7843	4.0579	3.0456	3.3728	2.7860	2.4641	3.3319	2.3127	2.5329	3.2280	1.2656		4.0589
H15	2.7954	3.8010	3.1605	2.5718	1.0981	1.7797	1.7837	2.1923	2.5302	4.4544	5.3521	4.5080	3.4897	4.0589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.295	C1	C8	H9	108.872
C1	C8	C13	109.429	H2	C1	H3	108.118
H2	C1	H4	108.250	H2	C1	C8	111.489
H3	C1	H4	108.761	H3	C1	C8	109.967
H4	C1	C8	110.180	C5	C8	H9	108.869
C5	C8	C13	109.422	H6	C5	H7	108.120
H6	C5	C8	111.489	H6	C5	H15	108.250
H7	C5	C8	109.968	H7	C5	H15	108.759
C8	C5	H15	110.179	C8	C13	N10	116.505
C8	C13	O14	122.260	H9	C8	C13	108.914
N10	C13	O14	121.234	H11	N10	H12	119.301
H11	N10	C13	118.410	H12	N10	C13	122.289

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

using model chemistry: B3LYP/CEP-121G

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	-0.517
2	H	0.148
3	H	0.180
4	H	0.149
5	C	-0.517
6	H	0.148
7	H	0.180
8	C	-0.065
9	H	0.109
10	N	-0.506
11	H	0.324
12	H	0.315
13	C	0.115
14	O	-0.211
15	H	0.149

	x	y	z	Total
	0.114	0.026	-4.105	4.107
CHELPG
AIM
ESP

	x	y	z
x	9.207	0.005	-0.331
y	0.005	7.310	-0.008
z	-0.331	-0.008	8.523

<r²>	147.621
(<r²>)^1/2	12.150

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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