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	hartrees
Energy at 0K	-283.995719
Energy at 298.15K	-284.005421
Nuclear repulsion energy	238.374959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3620	3349	2.18
2	A	3408	3153	1.46
3	A	3377	3124	3.34
4	A	3375	3123	1.11
5	A	3372	3120	3.21
6	A	3367	3115	2.82
7	A	3240	2998	6.67
8	A	3210	2970	3.92
9	A	3207	2967	3.85
10	A	1779	1646	48.72
11	A	1710	1582	10.50
12	A	1647	1524	4.67
13	A	1642	1519	3.18
14	A	1637	1514	1.38
15	A	1634	1512	1.59
16	A	1529	1415	1.54
17	A	1512	1399	0.14
18	A	1417	1311	3.65
19	A	1388	1285	2.18
20	A	1257	1163	27.73
21	A	1234	1142	52.61
22	A	1173	1086	2.00
23	A	1142	1056	18.29
24	A	1062	983	25.34
25	A	1017	941	0.79
26	A	988	914	2.23
27	A	927	857	3.03
28	A	740	685	22.35
29	A	657	608	50.15
30	A	612	566	87.11
31	A	516	478	68.54
32	A	448	414	12.15
33	A	391	362	31.89
34	A	324	299	6.11
35	A	269	249	3.33
36	A	220	203	0.71
37	A	206	191	0.09
38	A	167	154	0.96
39	A	38	35	2.12

Atom	x (Å)	y (Å)	z (Å)
C1	-1.636	-1.004	-0.421
H2	-1.333	-1.727	-1.206
H3	-1.610	-1.523	0.558
H4	-2.675	-0.676	-0.625
C5	-1.161	1.343	0.601
H6	-0.456	2.198	0.613
H7	-1.235	0.935	1.629
C8	-0.663	0.230	-0.400
H9	-0.614	0.675	-1.422
N10	1.841	0.741	-0.376
H11	2.807	0.298	-0.380
H12	1.657	1.164	-1.332
C13	0.809	-0.250	0.014
O14	1.081	-1.269	0.716
H15	-2.163	1.712	0.298

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1086	1.1085	1.1087	2.6038	3.5661	2.8503	1.5717	2.2052	3.8903	4.6299	4.0463	2.5957	2.9569	2.8583
H2	1.1086		1.7965	1.8002	3.5661	4.4138	3.8896	2.2199	2.5160	4.1052	4.6822	4.1608	2.8740	3.1191	3.8432
H3	1.1085	1.7965		1.8032	2.9017	3.8970	2.7076	2.2111	3.1211	4.2315	4.8689	4.6332	2.7876	2.7072	3.2923
H4	1.1087	1.8002	1.8032		2.8062	3.8369	3.1230	2.2184	2.5899	4.7397	5.5735	4.7596	3.5684	4.0320	2.6111
C5	2.6038	3.5661	2.9017	2.8062		1.1087	1.1086	1.5775	2.1995	3.2137	4.2189	3.4224	2.6012	3.4443	1.1095
H6	3.5661	4.4138	3.8970	3.8369	1.1087		1.7992	2.2229	2.5464	2.8939	3.9040	3.0524	2.8204	3.7944	1.8024
H7	2.8503	3.8896	2.7076	3.1230	1.1086	1.7992		2.2226	3.1241	3.6761	4.5580	4.1454	2.8618	3.3244	1.7995
C8	1.5717	2.2199	2.2111	2.2184	1.5775	2.2229	2.2226		1.1153	2.5555	3.4707	2.6690	1.6033	2.5563	2.2203
H9	2.2052	2.5160	3.1211	2.5899	2.1995	2.5464	3.1241	1.1153		2.6693	3.5959	2.3248	2.2234	3.3498	2.5356
N10	3.8903	4.1052	4.2315	4.7397	3.2137	2.8939	3.6761	2.5555	2.6693		1.0628	1.0622	1.4824	2.4106	4.1740
H11	4.6299	4.6822	4.8689	5.5735	4.2189	3.9040	4.5580	3.4707	3.5959	1.0628		1.7260	2.1085	2.5766	5.2108
H12	4.0463	4.1608	4.6332	4.7596	3.4224	3.0524	4.1454	2.6690	2.3248	1.0622	1.7260		2.1286	3.2325	4.1888
C13	2.5957	2.8740	2.7876	3.5684	2.6012	2.8204	2.8618	1.6033	2.2234	1.4824	2.1085	2.1286		1.2669	3.5724
O14	2.9569	3.1191	2.7072	4.0320	3.4443	3.7944	3.3244	2.5563	3.3498	2.4106	2.5766	3.2325	1.2669		4.4250
H15	2.8583	3.8432	3.2923	2.6111	1.1095	1.8024	1.7995	2.2203	2.5356	4.1740	5.2108	4.1888	3.5724	4.4250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.543	C1	C8	H9	109.125
C1	C8	C13	109.674	H2	C1	H3	108.256
H2	C1	H4	108.563	H2	C1	C8	110.643
H3	C1	H4	108.831	H3	C1	C8	109.966
H4	C1	C8	110.522	C5	C8	H9	108.308
C5	C8	C13	109.720	H6	C5	H7	108.481
H6	C5	C8	110.478	H6	C5	H15	108.693
H7	C5	C8	110.457	H7	C5	H15	108.444
C8	C5	H15	110.229	C8	C13	N10	111.759
C8	C13	O14	125.498	H9	C8	C13	108.403
N10	C13	O14	122.321	H11	N10	H12	108.628
H11	N10	C13	110.791	H12	N10	C13	112.496

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

using model chemistry: BLYP/STO-3G

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	-0.212
2	H	0.071
3	H	0.079
4	H	0.070
5	C	-0.212
6	H	0.077
7	H	0.075
8	C	-0.060
9	H	0.062
10	N	-0.351
11	H	0.178
12	H	0.174
13	C	0.176
14	O	-0.199
15	H	0.071

	x	y	z	Total
	0.133	1.006	-1.973	2.218
CHELPG
AIM
ESP

	x	y	z
x	5.278	0.167	-0.078
y	0.167	4.581	-0.806
z	-0.078	-0.806	3.642

<r²>	183.086
(<r²>)^1/2	13.531

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

using model chemistry: BLYP/STO-3G

States and conformations

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