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	hartrees
Energy at 0K	-287.784498
Energy at 298.15K	-287.794793
Nuclear repulsion energy	248.263215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3801	3617	39.12
2	A	3654	3476	38.19
3	A	3173	3019	25.18
4	A	3170	3016	2.94
5	A	3155	3002	35.36
6	A	3153	3000	17.14
7	A	3075	2926	13.81
8	A	3072	2923	31.86
9	A	3059	2911	35.91
10	A	1834	1745	261.89
11	A	1634	1555	135.90
12	A	1532	1458	17.43
13	A	1516	1443	10.52
14	A	1508	1435	1.68
15	A	1500	1427	0.75
16	A	1439	1369	70.65
17	A	1423	1354	4.26
18	A	1407	1339	5.39
19	A	1345	1280	1.15
20	A	1299	1236	85.04
21	A	1209	1150	2.94
22	A	1144	1088	5.02
23	A	1141	1086	0.37
24	A	1068	1017	6.83
25	A	987	939	0.27
26	A	938	893	2.99
27	A	935	890	3.61
28	A	785	747	7.76
29	A	770	732	3.76
30	A	619	589	6.12
31	A	604	575	16.03
32	A	477	454	3.14
33	A	326	310	0.84
34	A	292	278	4.85
35	A	246	234	6.45
36	A	244	232	2.24
37	A	221	210	9.51
38	A	183	174	205.87
39	A	22	21	7.87

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-1.249	-0.106
H2	-0.877	-2.133	-0.530
H3	-1.380	-1.363	0.980
H4	-2.389	-1.214	-0.474
C5	-1.337	1.270	0.060
H6	-0.828	2.192	-0.234
H7	-1.370	1.234	1.151
C8	-0.613	0.032	-0.473
H9	-0.539	0.105	-1.566
N10	1.818	0.060	-0.749
H11	2.757	0.035	-0.387
H12	1.677	0.141	-1.739
C13	0.787	-0.018	0.133
O14	0.965	-0.118	1.335
H15	-2.361	1.309	-0.320

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0932	1.0921	1.0930	2.5240	3.4838	2.7827	1.5286	2.1538	3.4979	4.3223	3.7185	2.4869	2.9606	2.7554
H2	1.0932		1.7682	1.7704	3.4837	4.3350	3.7952	2.1824	2.4890	3.4824	4.2344	3.6275	2.7720	3.3069	3.7544
H3	1.0921	1.7682		1.7762	2.7891	3.7965	2.6025	2.1561	3.0567	3.9050	4.5761	4.3594	2.6878	2.6791	3.1297
H4	1.0930	1.7704	1.7762		2.7490	3.7534	3.1094	2.1700	2.5205	4.4049	5.2961	4.4688	3.4476	3.9655	2.5277
C5	2.5240	3.4837	2.7891	2.7490		1.0932	1.0921	1.5294	2.1529	3.4747	4.2992	3.6871	2.4847	2.9752	1.0930
H6	3.4838	4.3350	3.7965	3.7534	1.0932		1.7684	2.1830	2.4923	3.4371	4.1866	3.5705	2.7614	3.3186	1.7705
H7	2.7827	3.7952	2.6025	3.1094	1.0921	1.7684		2.1572	3.0567	3.8925	4.5641	4.3393	2.6932	2.7042	1.7755
C8	1.5286	2.1824	2.1561	2.1700	1.5294	2.1830	2.1572		1.0973	2.4468	3.3705	2.6186	1.5260	2.4046	2.1705
H9	2.1538	2.4890	3.0567	2.5205	2.1529	2.4923	3.0567	1.0973		2.4952	3.5008	2.2232	2.1584	3.2753	2.5143
N10	3.4979	3.4824	3.9050	4.4049	3.4747	3.4371	3.8925	2.4468	2.4952		1.0061	1.0033	1.3596	2.2595	4.3833
H11	4.3223	4.2344	4.5761	5.2961	4.2992	4.1866	4.5641	3.3705	3.5008	1.0061		1.7334	2.0382	2.4902	5.2746
H12	3.7185	3.6275	4.3594	4.4688	3.6871	3.5705	4.3393	2.6186	2.2232	1.0033	1.7334		2.0792	3.1665	4.4368
C13	2.4869	2.7720	2.6878	3.4476	2.4847	2.7614	2.6932	1.5260	2.1584	1.3596	2.0382	2.0792		1.2195	3.4463
O14	2.9606	3.3069	2.6791	3.9655	2.9752	3.3186	2.7042	2.4046	3.2753	2.2595	2.4902	3.1665	1.2195		3.9802
H15	2.7554	3.7544	3.1297	2.5277	1.0930	1.7705	1.7755	2.1705	2.5143	4.3833	5.2746	4.4368	3.4463	3.9802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.253	C1	C8	H9	109.111
C1	C8	C13	109.013	H2	C1	H3	108.022
H2	C1	H4	108.147	H2	C1	C8	111.615
H3	C1	H4	108.747	H3	C1	C8	109.591
H4	C1	C8	110.634	C5	C8	H9	108.980
C5	C8	C13	108.823	H6	C5	H7	108.044
H6	C5	C8	111.609	H6	C5	H15	108.158
H7	C5	C8	109.627	H7	C5	H15	108.695
C8	C5	H15	110.622	C8	C13	N10	115.860
C8	C13	O14	121.894	H9	C8	C13	109.643
N10	C13	O14	122.246	H11	N10	H12	119.239
H11	N10	C13	118.214	H12	N10	C13	122.547

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

using model chemistry: mPW1PW91/6-31G**

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	-0.382
2	H	0.132
3	H	0.162
4	H	0.128
5	C	-0.382
6	H	0.132
7	H	0.162
8	C	-0.204
9	H	0.111
10	N	-0.663
11	H	0.298
12	H	0.290
13	C	0.612
14	O	-0.525
15	H	0.129

	x	y	z	Total
	0.312	0.307	-3.533	3.560
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	171.518
(<r²>)^1/2	13.096

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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