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	hartrees
Energy at 0K	-287.789594
Energy at 298.15K	-287.799763
Nuclear repulsion energy	248.089881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3765	3608	39.29
2	A	3614	3463	35.54
3	A	3167	3035	13.42
4	A	3157	3025	12.03
5	A	3150	3019	26.25
6	A	3145	3014	22.14
7	A	3066	2938	19.95
8	A	3060	2932	26.85
9	A	3048	2921	35.56
10	A	1825	1749	273.92
11	A	1597	1531	135.95
12	A	1495	1433	20.07
13	A	1476	1415	10.40
14	A	1467	1406	1.42
15	A	1459	1398	0.94
16	A	1421	1362	53.87
17	A	1395	1337	6.26
18	A	1379	1321	8.27
19	A	1333	1277	6.86
20	A	1281	1227	65.13
21	A	1195	1145	2.95
22	A	1145	1097	0.39
23	A	1127	1080	5.51
24	A	1061	1017	5.29
25	A	979	938	0.55
26	A	936	897	3.51
27	A	927	889	1.93
28	A	782	749	4.17
29	A	768	736	4.52
30	A	615	590	6.62
31	A	597	572	10.63
32	A	474	454	2.98
33	A	329	315	0.56
34	A	295	283	4.58
35	A	245	234	5.69
36	A	237	227	0.79
37	A	214	206	0.39
38	A	112	107	179.95
39	A	23	22	5.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.480	-1.034	-0.501
H2	-1.097	-1.733	-1.259
H3	-1.476	-1.554	0.466
H4	-2.516	-0.776	-0.764
C5	-1.208	1.240	0.563
H6	-0.596	2.154	0.615
H7	-1.258	0.810	1.574
C8	-0.617	0.219	-0.412
H9	-0.545	0.684	-1.410
N10	1.807	0.452	-0.595
H11	2.749	0.303	-0.260
H12	1.647	1.130	-1.323
C13	0.784	-0.152	0.068
O14	0.973	-0.919	0.995
H15	-2.224	1.527	0.258

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0995	1.0985	1.0994	2.5258	3.4907	2.7848	1.5241	2.1568	3.6085	4.4419	3.8901	2.4952	2.8755	2.7730
H2	1.0995		1.7748	1.7810	3.4892	4.3435	3.8100	2.1817	2.4842	3.6949	4.4653	3.9663	2.7927	3.1666	3.7683
H3	1.0985	1.7748		1.7885	2.8092	3.8137	2.6200	2.1575	3.0657	3.9917	4.6727	4.4900	2.6894	2.5851	3.1778
H4	1.0994	1.7810	1.7885		2.7462	3.7642	3.0927	2.1730	2.5370	4.4974	5.3982	4.6123	3.4599	3.9099	2.5370
C5	2.5258	3.4892	2.8092	2.7462		1.1000	1.0995	1.5307	2.1551	3.3246	4.1491	3.4233	2.4801	3.0994	1.0996
H6	3.4907	4.3435	3.8137	3.7642	1.1000		1.7787	2.1898	2.5023	3.1836	3.9223	3.1360	2.7423	3.4715	1.7802
H7	2.7848	3.8100	2.6200	3.0927	1.0995	1.7787		2.1688	3.0708	3.7721	4.4364	4.1151	2.7134	2.8816	1.7834
C8	1.5241	2.1817	2.1575	2.1730	1.5307	2.1898	2.1688		1.1036	2.4420	3.3705	2.6045	1.5266	2.4091	2.1779
H9	2.1568	2.4842	3.0657	2.5370	2.1551	2.5023	3.0708	1.1036		2.4998	3.5095	2.2378	2.1563	3.2649	2.5129
N10	3.6085	3.6949	3.9917	4.4974	3.3246	3.1836	3.7721	2.4420	2.4998		1.0108	1.0077	1.3610	2.2596	4.2586
H11	4.4419	4.4653	4.6727	5.3982	4.1491	3.9223	4.4364	3.3705	3.5095	1.0108		1.7405	2.0440	2.4952	5.1482
H12	3.8901	3.9663	4.4900	4.6123	3.4233	3.1360	4.1151	2.6045	2.2378	1.0077	1.7405		2.0796	3.1669	4.2002
C13	2.4952	2.7927	2.6894	3.4599	2.4801	2.7423	2.7134	1.5266	2.1563	1.3610	2.0440	2.0796		1.2180	3.4504
O14	2.8755	3.1666	2.5851	3.9099	3.0994	3.4715	2.8816	2.4091	3.2649	2.2596	2.4952	3.1669	1.2180		4.0930
H15	2.7730	3.7683	3.1778	2.5370	1.0996	1.7802	1.7834	2.1779	2.5129	4.2586	5.1482	4.2002	3.4504	4.0930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.548	C1	C8	H9	109.280
C1	C8	C13	109.752	H2	C1	H3	107.703
H2	C1	H4	108.186	H2	C1	C8	111.495
H3	C1	H4	108.927	H3	C1	C8	109.638
H4	C1	C8	110.803	C5	C8	H9	108.707
C5	C8	C13	108.429	H6	C5	H7	107.929
H6	C5	C8	111.645	H6	C5	H15	108.058
H7	C5	C8	110.005	H7	C5	H15	108.375
C8	C5	H15	110.719	C8	C13	N10	115.374
C8	C13	O14	122.349	H9	C8	C13	109.083
N10	C13	O14	122.267	H11	N10	H12	119.139
H11	N10	C13	118.286	H12	N10	C13	122.080

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

using model chemistry: mPW1PW91/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	-0.022
2	H	0.041
3	H	0.062
4	H	0.032
5	C	-0.027
6	H	0.036
7	H	0.059
8	C	-0.212
9	H	0.010
10	N	-0.120
11	H	0.112
12	H	0.105
13	C	0.168
14	O	-0.285
15	H	0.042

	x	y	z	Total
	0.323	2.472	-2.527	3.550
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>	171.838
(<r²>)^1/2	13.109

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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