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	hartrees
Energy at 0K	-286.266999
Energy at 298.15K	-286.277697
Nuclear repulsion energy	246.810594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3517	21.89
2	A	3526	3392	22.20
3	A	3146	3026	15.13
4	A	3124	3005	17.65
5	A	3122	3003	32.00
6	A	3117	2999	23.10
7	A	3063	2947	16.44
8	A	3057	2941	20.10
9	A	3050	2935	22.16
10	A	1747	1681	186.89
11	A	1671	1608	76.05
12	A	1578	1518	15.84
13	A	1566	1506	10.18
14	A	1556	1497	4.21
15	A	1549	1490	2.73
16	A	1466	1410	24.42
17	A	1448	1393	9.37
18	A	1399	1346	26.40
19	A	1356	1305	21.50
20	A	1301	1251	115.53
21	A	1223	1177	3.77
22	A	1151	1107	7.63
23	A	1133	1090	7.07
24	A	1085	1044	4.50
25	A	996	958	0.61
26	A	975	938	4.51
27	A	904	870	4.66
28	A	790	760	29.13
29	A	742	714	9.34
30	A	615	592	17.42
31	A	601	578	67.02
32	A	488	469	104.75
33	A	478	460	94.85
34	A	352	338	0.83
35	A	306	295	8.09
36	A	249	239	4.49
37	A	239	230	0.29
38	A	201	194	0.54
39	A	44	42	6.05

Atom	x (Å)	y (Å)	z (Å)
C1	-1.575	-0.967	-0.418
H2	-1.325	-1.665	-1.224
H3	-1.459	-1.497	0.532
H4	-2.614	-0.645	-0.540
C5	-1.098	1.317	0.592
H6	-0.407	2.167	0.618
H7	-1.143	0.876	1.594
C8	-0.624	0.240	-0.420
H9	-0.572	0.686	-1.421
N10	1.791	0.587	-0.440
H11	2.743	0.378	-0.159
H12	1.624	1.373	-1.055
C13	0.780	-0.222	0.006
O14	0.976	-1.209	0.731
H15	-2.095	1.680	0.323

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0952	1.0933	1.0947	2.5425	3.5011	2.7626	1.5370	2.1784	3.7077	4.5299	4.0142	2.5056	2.8076	2.7978
H2	1.0952		1.7690	1.7799	3.4987	4.3493	3.7989	2.1833	2.4761	3.9237	4.6749	4.2369	2.8327	3.0535	3.7648
H3	1.0933	1.7690		1.7909	2.8377	3.8130	2.6194	2.1499	3.0605	3.9821	4.6535	4.5013	2.6298	2.4604	3.2470
H4	1.0947	1.7799	1.7909		2.7258	3.7574	3.0056	2.1815	2.5918	4.5753	5.4670	4.7217	3.4631	3.8495	2.5339
C5	2.5425	3.4987	2.8377	2.7258		1.0955	1.0953	1.5520	2.1744	3.1540	4.0250	3.1818	2.4975	3.2708	1.0952
H6	3.5011	4.3493	3.8130	3.7574	1.0955		1.7775	2.1991	2.5253	2.9070	3.7054	2.7484	2.7368	3.6497	1.7814
H7	2.7626	3.7989	2.6194	3.0056	1.0953	1.7775		2.1749	3.0745	3.5823	4.2922	3.8623	2.7247	3.0953	1.7806
C8	1.5370	2.1833	2.1499	2.1815	1.5520	2.1991	2.1749		1.0970	2.4399	3.3796	2.5957	1.5376	2.4458	2.1887
H9	2.1784	2.4761	3.0605	2.5918	2.1744	2.5253	3.0745	1.0970		2.5604	3.5602	2.3295	2.1649	3.2580	2.5197
N10	3.7077	3.9237	3.9821	4.5753	3.1540	2.9070	3.5823	2.4399	2.5604		1.0142	1.0118	1.3702	2.2938	4.1089
H11	4.5299	4.6749	4.6535	5.4670	4.0250	3.7054	4.2922	3.3796	3.5602	1.0142		1.7452	2.0597	2.5362	5.0337
H12	4.0142	4.2369	4.5013	4.7217	3.1818	2.7484	3.8623	2.5957	2.3295	1.0118	1.7452		2.0934	3.2054	3.9777
C13	2.5056	2.8327	2.6298	3.4631	2.4975	2.7368	2.7247	1.5376	2.1649	1.3702	2.0597	2.0934		1.2399	3.4618
O14	2.8076	3.0535	2.4604	3.8495	3.2708	3.6497	3.0953	2.4458	3.2580	2.2938	2.5362	3.2054	1.2399		4.2361
H15	2.7978	3.7648	3.2470	2.5339	1.0952	1.7814	1.7806	2.1887	2.5197	4.1089	5.0337	3.9777	3.4618	4.2361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.787	C1	C8	H9	110.478
C1	C8	C13	109.162	H2	C1	H3	107.870
H2	C1	H4	108.743	H2	C1	C8	110.977
H3	C1	H4	109.875	H3	C1	C8	108.466
H4	C1	C8	110.860	C5	C8	H9	109.125
C5	C8	C13	107.866	H6	C5	H7	108.450
H6	C5	C8	111.158	H6	C5	H15	108.813
H7	C5	C8	109.262	H7	C5	H15	108.752
C8	C5	H15	110.350	C8	C13	N10	113.966
C8	C13	O14	123.059	H9	C8	C13	109.372
N10	C13	O14	122.921	H11	N10	H12	118.954
H11	N10	C13	118.740	H12	N10	C13	122.294

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

using model chemistry: B3LYP/3-21G*

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	-0.519
2	H	0.191
3	H	0.216
4	H	0.177
5	C	-0.521
6	H	0.181
7	H	0.207
8	C	-0.358
9	H	0.184
10	N	-0.756
11	H	0.315
12	H	0.310
13	C	0.689
14	O	-0.510
15	H	0.193

	x	y	z	Total
	0.435	2.980	-1.882	3.551
CHELPG
AIM
ESP

	x	y	z
x	7.702	0.321	-0.037
y	0.321	7.084	-0.730
z	-0.037	-0.730	5.829

<r²>	173.080
(<r²>)^1/2	13.156

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

using model chemistry: B3LYP/3-21G*

States and conformations

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